NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
16834 | 2avg | 6015 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.200 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.74754E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.36627E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.28861E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.700 0.400 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21642E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.20847E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.18641E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.16305E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16015E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.15810E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.15455E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.100 0.500 0.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.14855E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13575E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12762E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 1.900 0.400 0.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.12565E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11783E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11735E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10725E-01 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.800 2.800 3.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.10479E-01 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.99179E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.500 0.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.98552E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.96006E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.94427E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.94411E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.100 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.93660E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.93138E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.92441E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.91853E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.000 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.91613E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.90727E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.89565E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.87890E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.200 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.87321E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.87100E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.300 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.84488E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.900 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.84151E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.100 0.500 0.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.83400E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.82959E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.82649E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 1.900 1.900 4.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.82154E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.500 0.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.80083E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.200 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.79607E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.78369E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.000 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.76511E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.100 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.75992E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.100 0.500 0.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.75226E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.74061E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.300 0.600 0.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.73485E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.73233E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.72738E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.71298E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.70787E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.69572E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.69471E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.68829E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.68635E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.67188E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.300 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.66580E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.65237E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.64215E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.63894E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.63724E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.63631E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.62969E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.62466E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.62249E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.61947E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.400 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.61893E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.61843E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.200 0.600 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.61549E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.61305E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.600 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.60144E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.59904E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.200 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.59552E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.400 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.59497E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) 3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.58987E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.58774E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.58507E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.100 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.57853E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.56908E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.56479E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.56394E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.54814E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.54648E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.54048E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.53232E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.53135E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.400 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.51889E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.51207E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.50898E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.300 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.50886E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.50875E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.50789E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.49864E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.49779E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.500 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.49218E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.400 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.48862E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.500 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.47798E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.46284E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.45735E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 3.400 1.500 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.45580E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.100 0.500 0.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.45410E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.45336E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.400 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.45189E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.44988E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.44036E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.700 0.400 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.43838E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.43687E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.600 1.600 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.43401E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.300 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.43200E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.43080E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.42975E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.600 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.42670E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.41907E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.300 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.41861E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.41520E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.41489E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 293} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.100 2.100 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.41156E-02 ppm1 7.913 ppm2 1.237 CV 1 ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.40943E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.40936E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.40460E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.40452E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.40022E-02 ppm1 9.273 ppm2 0.839 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.39829E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.39798E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.39624E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.400 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.39442E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.39299E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.39202E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.600 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.39171E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.39086E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.39082E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.500 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.38588E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.38128E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.600 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.38027E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.37778E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.37757E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.37732E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.700 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.37717E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.37246E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.37226E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.36882E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.700 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.36687E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.36660E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.36656E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.36556E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.36075E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.36022E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.35512E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.35237E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.35182E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.900 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.35090E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.34975E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.34820E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.34576E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.34400E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.34205E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.34191E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.500 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.34190E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.34156E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.34136E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.700 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.34051E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.800 1.800 1.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.34024E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.600 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.34011E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.600 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.33574E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.33314E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.33252E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.33090E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.33059E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.32928E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.32889E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.300 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.32767E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.32620E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.32530E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.500 1.600 1.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.32430E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.32350E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.32132E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 4.100 2.100 1.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.32096E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.32064E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.700 1.700 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.31740E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.31707E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.31669E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.500 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.31623E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.500 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.31589E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.31589E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.700 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31486E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.500 1.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.31389E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.31372E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.31348E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.31206E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.31044E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.400 1.400 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.30866E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.30853E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.30638E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.500 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.30481E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.30340E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.29815E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.29711E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.29705E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.29625E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.29590E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.29465E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.29329E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.29181E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.29081E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.29066E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.28740E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.28624E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.28493E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.600 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.28357E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.28298E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.28295E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.600 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.27968E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.600 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.27550E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.500 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.27538E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.600 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.27537E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.800 1.800 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.27367E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.900 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.27109E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.900 1.900 1.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.27059E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26892E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.26739E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.26637E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.600 1.600 1.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.26581E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.800 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.26045E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.200 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.25955E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.25930E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.25830E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.25789E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.25613E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.25589E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.700 1.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.25547E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.25412E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.25346E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.000 3.000 3.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.24731E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.000 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.24675E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.24674E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.24585E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.800 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.24453E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.24352E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.24310E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.800 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.24273E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.24016E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.900 1.900 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.23925E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.23755E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23657E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 2.900 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.700 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.23511E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.800 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.23390E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.23390E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.300 1.400 1.400 peak 515 spectrum 1 weight 0.10000E+01 volume 0.23308E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.600 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.23131E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.22503E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.22259E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.22104E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.800 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.22083E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.500 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.21981E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.000 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.21856E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.21834E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.100 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.21757E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.21682E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.800 1.800 1.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.21663E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.21647E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.21525E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.21509E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.21451E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.300 2.400 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.21324E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.800 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.21182E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.200 2.200 1.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.600 1.700 1.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.20931E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.20868E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.20807E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.20699E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.20666E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.600 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.20552E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.20234E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.19956E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.100 2.100 3.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.19934E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.19829E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.19823E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.19801E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.900 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.19601E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.19584E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 2.900 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.19556E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.19478E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.800 1.800 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.19229E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.800 1.800 1.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.19185E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.500 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.19056E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.19034E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.500 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.19034E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.18751E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 2.900 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.18654E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.18636E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.18467E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.800 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.18379E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.18297E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.18274E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.18211E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.400 2.400 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.900 1.900 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.17631E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.17625E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 3.800 1.800 1.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.17582E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.700 1.700 1.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.17407E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.100 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.17389E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.17307E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.200 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.17240E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.800 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.17192E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.17171E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.400 1.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.17030E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.17016E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.300 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.16829E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.16795E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.300 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.16760E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16679E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.16557E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.16423E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.700 2.700 1.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.16379E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.000 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.16368E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.16343E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) 3.600 1.600 1.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.16300E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.600 2.600 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.800 1.800 1.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.16216E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.16214E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 1.300 1.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.16066E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.16017E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.300 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.16014E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.15925E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.600 1.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.15790E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.15765E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.15717E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.15678E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.15659E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.15626E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.100 2.100 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.15428E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.15357E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.700 1.700 1.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.15263E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.15225E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.15190E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.15185E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 702 spectrum 1 weight 0.10000E+01 volume 0.15183E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.15181E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.100 2.100 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.15159E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 705} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.500 1.500 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.15142E-02 ppm1 7.866 ppm2 1.316 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.800 1.800 1.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.15107E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.500 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.15089E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.15081E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.15044E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.15028E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.14990E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.14984E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.200 2.200 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.14979E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.400 1.400 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.14845E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.200 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.14799E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.14655E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.400 2.400 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.14606E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.14564E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 2.900 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.14431E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.300 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.200 2.200 1.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 4.500 2.600 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.300 1.300 1.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.14083E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.14073E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.500 2.500 3.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.14072E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.14023E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.900 1.100 1.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 2.800 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.13968E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.13955E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.13919E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.300 2.300 1.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.13885E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 4.500 2.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.500 2.500 3.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.13717E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.100 1.200 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.13640E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 2.900 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.13504E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.400 1.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.13471E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.13450E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 2.900 1.100 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.13424E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 789} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.300 2.400 1.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 7.545 ppm2 2.672 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.700 1.700 1.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.800 1.800 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.13228E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.200 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.700 1.700 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.13071E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12996E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.000 2.000 2.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.12816E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 5.500 3.800 0.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.12810E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.12748E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 811 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.100 1.200 1.200 peak 812 spectrum 1 weight 0.10000E+01 volume 0.12727E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.12711E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.300 1.400 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.12708E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.300 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12695E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.300 1.400 1.400 peak 816 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 821} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 3.800 1.800 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 8.940 ppm2 4.983 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 4.000 2.000 2.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.700 2.700 1.300 peak 825 spectrum 1 weight 0.10000E+01 volume 0.12518E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.12508E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 827} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HN )) 3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 8.888 ppm2 7.891 CV 1 ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.300 2.300 1.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.12480E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.400 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.12435E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.600 2.600 1.400 peak 831 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.000 1.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.300 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.300 2.300 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 4.200 2.200 1.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.12239E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.800 1.800 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.700 1.700 1.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.12048E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.100 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.300 2.300 1.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11942E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.400 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.11915E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 2.600 3.400 peak 861 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.500 1.500 1.500 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.700 2.800 1.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.11834E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11768E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.600 2.600 3.400 peak 874 spectrum 1 weight 0.10000E+01 volume 0.11728E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.500 2.500 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.600 2.600 3.400 peak 879 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.800 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.11640E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.300 1.300 1.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.900 3.000 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.11565E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.11545E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.200 2.200 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.11501E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11483E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.11448E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.500 2.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.900 3.000 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.11432E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 4.100 2.100 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.900 1.900 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.11380E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.11367E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.500 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.11283E-02 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.600 2.600 3.400 peak 913 spectrum 1 weight 0.10000E+01 volume 0.11249E-02 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.800 1.800 1.800 peak 915 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.11175E-02 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.500 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.300 2.300 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.100 1.200 1.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.400 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.11031E-02 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.500 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.200 3.400 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.100 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.10869E-02 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.600 1.600 1.600 peak 944 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.500 2.500 1.500 peak 946 spectrum 1 weight 0.10000E+01 volume 0.10735E-02 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.300 1.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.10639E-02 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.100 2.100 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.10622E-02 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.000 2.000 2.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.000 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.10493E-02 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.10453E-02 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.800 1.800 1.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.500 1.500 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.700 2.700 1.300 peak 972 spectrum 1 weight 0.10000E+01 volume 0.10391E-02 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.10387E-02 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.200 1.300 1.300 peak 975 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.10344E-02 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.900 1.900 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 4.100 2.100 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.700 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.10161E-02 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.10082E-02 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.10055E-02 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.400 1.400 1.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.10039E-02 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.500 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.99574E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.200 2.200 1.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.99222E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.99071E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.400 2.400 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.98285E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.900 1.900 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.98212E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.400 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.97925E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.700 2.800 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.97910E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.600 2.600 1.400 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.97898E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.97681E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.97627E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.97569E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 3.900 1.900 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.97418E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.500 1.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.97093E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.500 1.500 1.500 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.96880E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.300 2.300 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.96590E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.300 1.400 1.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.96528E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.200 2.200 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.96342E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.96288E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 4.000 2.000 2.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.95820E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.300 2.400 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.95758E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.500 1.600 1.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.95572E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.500 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.95564E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.95425E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.000 2.000 2.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.94864E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.800 1.800 1.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.94581E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.700 2.700 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.94163E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.94090E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 4.000 2.000 2.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.93803E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 3.700 1.700 1.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.93761E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.900 1.900 1.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.93126E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.92774E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.92743E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.92457E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.800 2.900 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.92259E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.92108E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.100 2.100 1.900 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.91818E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 4.800 2.900 1.200 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.91768E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1056} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 102 and name HN )) 3.400 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.91636E-03 ppm1 9.110 ppm2 8.555 CV 1 ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.91574E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.91199E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.91152E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.91032E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.500 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.90905E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.700 1.700 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.90417E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.400 1.500 1.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.89674E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.500 2.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.88671E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.900 1.900 1.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.88602E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.800 1.800 1.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.88466E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.88381E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.88342E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.88315E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.700 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.88246E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.88215E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.200 1.300 1.300 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.87894E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.200 2.200 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.87398E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.86001E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.85947E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.85091E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.500 2.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.85084E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.84844E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.000 3.100 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.84070E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.83675E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.100 2.100 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.83288E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 5.000 3.200 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.83118E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.82994E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.000 2.000 2.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.82901E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.000 2.000 2.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.82634E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.82421E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.400 3.600 0.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.82332E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.81933E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.300 2.300 1.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.81802E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.600 2.600 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.81678E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 4.200 2.200 1.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.81566E-03 ppm1 7.881 ppm2 1.329 CV 1 OR { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.300 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.81438E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.81422E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.81322E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.600 2.600 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.81182E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.800 2.800 1.200 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.80571E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.80486E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) 2.400 2.400 3.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.80339E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.700 2.700 3.300 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.80308E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.200 2.200 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.80234E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.700 2.800 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.79785E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.79731E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.79468E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.800 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.79460E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.800 1.800 1.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.79363E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.79240E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.900 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.79178E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.79100E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.79054E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.600 2.600 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.78829E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.700 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.78663E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.600 2.700 1.400 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.78651E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 4.200 2.200 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.78574E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.100 2.100 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.78555E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.300 2.300 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.78342E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.700 2.700 1.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.78334E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.78330E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.77862E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.300 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.77831E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.700 1.700 1.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.77819E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.600 2.600 1.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.77715E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.800 2.900 1.200 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.77154E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.200 2.200 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.76925E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1198} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 76 and name HN )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.76887E-03 ppm1 9.238 ppm2 8.919 CV 1 ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.400 2.400 1.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.76852E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.600 3.900 0.400 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.76693E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.76554E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.76031E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.400 1.400 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.76012E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 4.800 2.800 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.75571E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.75338E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.600 1.700 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.75203E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.100 2.100 1.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.75184E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.900 1.900 1.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.74901E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) 5.400 3.600 0.600 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.74812E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.74754E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.500 1.500 1.500 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.74595E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.74290E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.800 1.800 1.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.73964E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.73949E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.73934E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.500 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.73465E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.600 2.600 1.400 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.73287E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.600 1.400 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.73245E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.73032E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.500 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.72950E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.800 2.800 3.200 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.72865E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.72830E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.400 2.400 1.600 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.72293E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.700 2.700 1.300 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.72169E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.600 2.700 1.400 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.71855E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.300 3.500 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.71727E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.71611E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.900 1.900 1.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.71604E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.600 2.600 1.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.71580E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.400 3.600 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.71488E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.800 2.800 1.200 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.71437E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.700 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.71398E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.200 2.200 1.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.71333E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.71317E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.70377E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.300 2.400 1.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.70373E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.70369E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.700 2.800 1.300 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.70326E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.70307E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.500 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.70067E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 3.800 1.900 1.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.69785E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.600 1.400 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.69773E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.600 2.600 1.400 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.69719E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.300 2.300 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.69680E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.69537E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.600 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.69142E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.400 2.400 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.68918E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.68902E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.700 2.700 1.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.68867E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.68724E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.700 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.68558E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.300 2.300 1.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.68546E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 5.000 3.100 1.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.68298E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1318} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 4.100 2.100 1.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.68267E-03 ppm1 8.398 ppm2 9.293 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.68198E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 3.900 1.900 1.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.68167E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.900 1.900 1.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.67985E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.500 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.67776E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 4.700 2.800 1.300 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.67350E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.67265E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.67103E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.400 1.400 1.400 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.66452E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.300 1.300 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1350} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HN )) 3.200 1.200 1.200 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.241 ppm2 8.557 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.400 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.200 1.200 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.600 0.800 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.141 ppm2 3.855 CV 1 OR { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.900 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.100 2.100 1.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) 3.500 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.600 1.600 1.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.600 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.800 1.800 1.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.600 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.600 0.800 0.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.400 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.000 0.500 0.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 3.000 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.400 1.400 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.300 1.400 1.400 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 2.900 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.100 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1424} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HN )) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.549 ppm2 8.059 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.100 1.200 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.300 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.000 1.100 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.100 1.200 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.40584E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.200 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.300 3.300 2.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.000 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 1.600 1.600 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.600 1.600 1.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.400 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.100 2.100 3.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.900 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.400 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.400 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.300 1.400 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.600 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.200 1.200 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.800 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.800 1.800 1.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.700 1.700 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.500 1.600 1.600 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.300 1.400 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.200 1.300 1.300 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.600 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.100 2.100 3.900 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 1.500 1.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.300 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.500 3.500 2.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.600 1.600 1.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.300 1.400 1.400 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) 2.600 0.800 0.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.800 2.800 3.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 2.100 2.100 3.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.100 1.200 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 3.400 2.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.700 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 3.300 1.400 1.400 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.400 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.400 3.400 2.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.100 1.200 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.600 1.600 1.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1551} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.600 1.600 1.600 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.495 ppm2 0.760 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.900 1.900 1.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.600 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 3.000 3.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.300 0.600 0.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.500 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.300 1.400 1.400 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.600 1.600 1.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.300 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.800 2.800 3.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1568} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 2.900 2.900 3.100 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.469 ppm2 2.408 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.300 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.800 1.800 1.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.500 1.500 1.500 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.400 0.700 0.700 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 3.500 1.500 1.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.500 3.500 2.500 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.600 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 2.600 3.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.800 1.000 1.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.700 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.100 2.100 3.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.700 1.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.400 3.400 2.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.40688E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.200 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.40669E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.10103E-01 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.000 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.000 0.500 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10111E-01 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.99686E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.99686E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 2.600 3.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.99686E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.99856E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.99853E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.400 0.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10087E-01 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 2.100 3.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.27701E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.99853E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.99853E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.000 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.99853E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.99891E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG1 )) 1.600 0.300 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.23418E-01 ppm1 1.680 ppm2 1.415 CV 1 OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.99957E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.19383E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.16500E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 301} (( segid " 1SG" and resid 37 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) 2.700 2.700 3.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.10006E-01 ppm1 2.366 ppm2 1.544 CV 1 ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 1.900 0.400 0.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10006E-01 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.13905E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.12664E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.100 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.300 2.300 3.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12380E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.12122E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11973E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.000 2.000 4.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.11844E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11699E-01 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 367} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 6 and name HD1%) 2.100 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.11624E-01 ppm1 0.815 ppm2 0.666 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 1.900 0.400 0.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.500 0.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.11342E-01 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.10027E-01 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 385} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) 1.700 1.700 4.300 peak 385 spectrum 1 weight 0.10000E+01 volume 0.10027E-01 ppm1 1.327 ppm2 0.929 CV 1 OR { 385} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.500 0.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.10996E-01 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10720E-01 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) 2.300 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.10667E-01 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.10027E-01 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 1.900 0.400 0.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.10041E-01 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.10469E-01 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.10041E-01 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.600 2.600 3.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10041E-01 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.10332E-01 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10176E-01 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10098E-01 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) 1.900 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.99051E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.10057E-01 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.96474E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.93474E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.10057E-01 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.91265E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.100 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10057E-01 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.87901E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.87592E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.87015E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.000 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.86945E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.500 0.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.86214E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.000 0.500 0.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.85250E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 1.900 0.400 0.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.000 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.10061E-01 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) OR { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.83443E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.83036E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.100 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.82769E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.82413E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.81295E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.100 0.500 0.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.81001E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.10064E-01 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 528} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.000 2.000 4.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.10064E-01 ppm1 0.849 ppm2 1.542 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.79940E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.79797E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.79650E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.10064E-01 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.77661E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.100 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.77405E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.76155E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.500 0.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.75381E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.75091E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.100 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.74719E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.73767E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.73709E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.72560E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 1.900 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.800 0.400 0.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.71538E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.70481E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.70191E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.69579E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.68941E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 1.900 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.68430E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.100 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.67784E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.100 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.66746E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 2.000 2.000 4.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.64614E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.64393E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.300 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.64126E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.63941E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.63782E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.63658E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.600 0.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.62764E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.61692E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.60868E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.400 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.60864E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.60755E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD2%) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.60751E-02 ppm1 4.455 ppm2 0.875 CV 1 OR { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.60744E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 1.900 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.60519E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.60194E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.600 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.000 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.300 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.59466E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.59300E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD2%) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.57806E-02 ppm1 0.712 ppm2 0.620 CV 1 OR { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.200 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.57806E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 718} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 28 and name HG1%) 2.900 1.100 1.100 peak 718 spectrum 1 weight 0.10000E+01 volume 0.57408E-02 ppm1 0.905 ppm2 0.832 CV 1 ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.10090E-01 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.100 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.56649E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.56185E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.100 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.56010E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10103E-01 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.55410E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.54617E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.100 0.500 0.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.54412E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.54137E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.53495E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.53417E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.53324E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.100 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.53278E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 3.000 3.000 3.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.53104E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 3.000 3.000 3.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.52868E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 789} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 104 and name HD2%) 2.200 0.600 0.600 peak 789 spectrum 1 weight 0.10000E+01 volume 0.52566E-02 ppm1 1.197 ppm2 0.828 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.52353E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.52349E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.52283E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.52070E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.600 0.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.52012E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.51962E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.51405E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.51277E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.51188E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.50561E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.300 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.50186E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.48579E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.300 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.48564E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.48119E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.47771E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.47500E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.47043E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.900 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.46826E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.46722E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.46428E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.300 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.46273E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.200 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.45963E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.45321E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.45170E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.300 0.600 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.45147E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 2.400 3.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.44748E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.600 0.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.44682E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.44632E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.100 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.44400E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.43784E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.100 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.43432E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 0.600 0.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.43177E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.42248E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.300 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.42248E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.42174E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.42135E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.41764E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.41199E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.40870E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.40827E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.40796E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.40734E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.200 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.40208E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) 2.800 2.800 3.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.40150E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 1.900 0.500 0.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.40080E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.600 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.39922E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.39655E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.39453E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.39008E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.300 0.600 0.600 peak 990 spectrum 1 weight 0.10000E+01 volume 0.38834E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.38795E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.38772E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.38672E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1000} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HA )) 3.600 3.600 2.400 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.38266E-02 ppm1 0.867 ppm2 4.117 CV 1 ASSI { 1002} (( segid " 1SG" and resid 47 and name HB )) ( segid " 1SG" and resid 47 and name HG2%) 2.400 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 2.530 ppm2 0.796 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.37998E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.37938E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.000 0.500 0.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.37889E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.37845E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.37775E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.37404E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.300 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.37332E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB2 )) 2.800 2.800 3.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.36995E-02 ppm1 0.825 ppm2 1.940 CV 1 OR { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.100 3.100 2.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.36647E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.400 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.36200E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.300 3.300 2.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.36067E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.400 2.400 3.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.35923E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.35879E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.400 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.35800E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.35263E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.34825E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.34599E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.34526E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.300 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.34506E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.34459E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.34450E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.34128E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.34027E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.33920E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.400 0.700 0.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.33624E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) 2.400 0.700 0.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.33578E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.33326E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.33229E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.33154E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.32942E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.32579E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.32500E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.32344E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.31860E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.31858E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.31852E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.31846E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.31779E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.31497E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1173} (( segid " 1SG" and resid 52 and name HE2 )) ( segid " 1SG" and resid 47 and name HG2%) 2.000 0.500 0.500 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.30996E-02 ppm1 2.788 ppm2 0.794 CV 1 ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.200 1.300 1.300 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.30852E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.30638E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.30524E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.000 2.000 4.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.30476E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) 3.100 3.100 2.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.29758E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.29689E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.29234E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.29025E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.28903E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.28532E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.28480E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.28410E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.28365E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) 2.500 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.28333E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.28288E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.28125E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.600 0.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.28052E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1255} (( segid " 1SG" and resid 45 and name HB2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.28044E-02 ppm1 0.615 ppm2 0.827 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.27963E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1266} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.400 0.700 0.700 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.27695E-02 ppm1 0.548 ppm2 3.749 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.500 3.500 2.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.27685E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.500 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.27530E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.500 0.800 0.800 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.27415E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.27242E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.27186E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.300 3.300 2.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.27179E-02 ppm1 0.928 ppm2 0.476 CV 1 OR { 1286} ( segid " 1SG" and resid 8 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.27002E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.100 0.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.26802E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.000 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.26706E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.26627E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.26384E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 3.100 1.200 1.200 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.26268E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1325} (( segid " 1SG" and resid 57 and name HB2 )) (( segid " 1SG" and resid 57 and name HG )) 2.300 0.700 0.700 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.26253E-02 ppm1 1.470 ppm2 0.752 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.100 2.100 3.900 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.26179E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.25978E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) 2.400 0.700 0.700 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.25872E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.25800E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.25724E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.700 0.900 0.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.25656E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.25521E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.25506E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 3.300 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.25335E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.25171E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.25118E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.500 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.25110E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.400 0.700 0.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.24845E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) 2.600 0.800 0.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.24825E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.400 0.700 0.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.24750E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.24559E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 3.100 1.200 1.200 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.24458E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.24362E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.24314E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.24289E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.600 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.24242E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.900 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.24143E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.800 0.800 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.24087E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.23994E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) 3.000 3.000 3.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.23741E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.23671E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.500 1.500 1.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.23659E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.23609E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) 2.900 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.23588E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.23572E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 3.500 2.500 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.23432E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 2.800 1.000 1.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.23267E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.500 1.500 1.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.23180E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.500 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.23179E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 2.900 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.23049E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.900 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.22935E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.22922E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.22755E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.22747E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 3.300 1.400 1.400 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 0.863 ppm2 0.419 CV 1 OR { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.200 3.200 2.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.22511E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.22471E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.22466E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.22427E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) 2.700 0.900 0.900 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.22319E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.500 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.22198E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.22071E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.300 3.300 2.700 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.22055E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.400 1.400 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.21939E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.21832E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.21682E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.600 1.600 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.200 3.200 2.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1572} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 18 and name HA )) 2.800 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.21044E-02 ppm1 1.195 ppm2 3.508 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.700 2.700 3.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.20856E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.600 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.20813E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.20640E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.20571E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.20366E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.700 1.700 1.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.20361E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.20324E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.600 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.20302E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 1.500 1.500 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.800 1.800 1.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.20037E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.19991E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.600 1.600 1.600 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.19926E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.19873E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.19678E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.900 1.100 1.100 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.19577E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) 2.400 0.700 0.700 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.19555E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.19394E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.400 1.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.19383E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 0.800 0.800 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.19334E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.19152E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 2.900 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.19047E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.18983E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.18975E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.700 0.900 0.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 4.518 ppm2 4.230 CV 1 ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.18796E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.200 3.200 2.800 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.200 2.200 3.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.18683E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.18675E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.18393E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 0.412 ppm2 0.852 CV 1 ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.600 1.700 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.18038E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.700 0.900 0.900 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.17909E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.17884E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.500 3.500 2.500 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.17775E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.700 0.900 0.900 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.17732E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.600 0.800 0.800 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.17658E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.17658E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.17608E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.800 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.17516E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.500 1.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.17272E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.17262E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.17083E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.500 1.500 1.500 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.17076E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.17005E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) 2.900 1.000 1.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.16846E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.16815E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.16770E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.700 0.900 0.900 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 2.900 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.500 0.800 0.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.16731E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.800 0.800 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.16677E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.16671E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.16613E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1905} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 0.975 ppm2 3.753 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.500 0.800 0.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.16490E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.300 3.300 2.700 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.16235E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.800 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) 2.300 2.300 3.700 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.16017E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.15997E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 3.200 2.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.15887E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.400 1.400 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.15815E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.15615E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.900 1.900 1.900 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.15567E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.15540E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 2.700 0.900 0.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.15527E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.15401E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2012} (( segid " 1SG" and resid 27 and name HB2 )) ( segid " 1SG" and resid 69 and name HG1%) 2.700 0.900 0.900 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 1.600 ppm2 0.852 CV 1 OR { 2012} (( segid " 1SG" and resid 27 and name HB1 )) ( segid " 1SG" and resid 69 and name HG1%) OR { 2012} (( segid " 1SG" and resid 27 and name HB1 )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 2013} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HG2 )) 3.600 1.600 1.600 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.15347E-02 ppm1 2.167 ppm2 1.347 CV 1 OR { 2013} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.15330E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.700 0.900 0.900 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.15326E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.300 2.300 3.700 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.15312E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.15239E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.15232E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.000 1.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.15051E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.600 3.600 2.400 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.14841E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.700 0.900 0.900 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.14767E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2077} (( segid " 1SG" and resid 50 and name HA )) (( segid " 1SG" and resid 52 and name HD2 )) 3.300 3.300 2.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 4.015 ppm2 1.596 CV 1 OR { 2077} (( segid " 1SG" and resid 50 and name HA )) (( segid " 1SG" and resid 52 and name HD1 )) OR { 2077} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 52 and name HD2 )) OR { 2077} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.14722E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.000 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.14631E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 2.900 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.14608E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.600 0.800 0.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.14381E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.14345E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2146} (( segid " 1SG" and resid 65 and name HD1 )) ( segid " 1SG" and resid 31 and name HB% ) 3.300 3.300 2.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 3.242 ppm2 1.551 CV 1 OR { 2146} (( segid " 1SG" and resid 65 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.600 1.600 1.600 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.700 0.900 0.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 2.900 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.14005E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.700 3.700 2.300 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.13975E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.13927E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.13862E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.13832E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.700 1.700 1.700 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.13807E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 2.800 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.13756E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.13623E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2226} (( segid " 1SG" and resid 45 and name HA )) ( segid " 1SG" and resid 47 and name HG1%) 3.500 3.500 2.500 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 3.493 ppm2 1.004 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 2.900 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.13580E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 2.900 1.000 1.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.13537E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.200 1.300 1.300 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.13421E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.13406E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.13318E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.13241E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.13170E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.300 1.400 1.400 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.13145E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.13115E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.900 1.900 1.900 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.200 1.200 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.300 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2322} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.600 1.700 1.700 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.12956E-02 ppm1 1.614 ppm2 0.759 CV 1 OR { 2322} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.700 0.900 0.900 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.12911E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 2.900 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.12860E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.12838E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.12794E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.12721E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.600 1.600 1.600 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.300 1.300 1.300 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.12711E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.12610E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.12583E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.600 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 2.800 1.000 1.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.12477E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.000 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.12408E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) 3.300 1.400 1.400 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.12208E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.12162E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.700 1.700 1.700 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.11827E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.900 1.900 1.900 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.11807E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.11764E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.100 1.100 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) 3.500 1.500 1.500 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 2.900 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.600 1.600 1.600 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.11529E-02 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 4.000 2.000 2.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.11291E-02 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 2.900 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.11035E-02 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.900 1.900 1.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.10822E-02 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.81086E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.69858E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.100 2.100 3.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.36188E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.000 2.000 4.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 66} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 46 and name HZ2 )) 2.600 2.600 3.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26651E-02 ppm1 7.259 ppm2 7.400 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.20544E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.17356E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 100} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 45 and name HA )) 2.500 2.500 3.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 7.109 ppm2 3.482 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.13142E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.73682E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 2.500 2.500 3.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.72409E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 186} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 47 and name HG2%) 2.200 2.200 3.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.72409E-02 ppm1 7.088 ppm2 0.769 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.72409E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.400 2.400 3.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.72409E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.72707E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.72703E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.72703E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.200 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.70886E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.34732E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.27368E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.700 0.400 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.20523E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19769E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.17677E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.15461E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.15186E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14992E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14656E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.100 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.14087E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12872E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12102E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 1.900 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11914E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 83} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.11416E-01 ppm1 7.867 ppm2 4.225 CV 1 OR { 83} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11173E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11128E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10170E-01 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.800 2.800 3.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.99369E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.94048E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.93453E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.91037E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.89537E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.89526E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.88814E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.100 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.88315E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.87656E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.87099E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.000 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.86874E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.86033E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.84929E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.83343E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.82802E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.82593E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.300 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.80118E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.79796E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.100 0.500 0.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.79083E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.78666E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.78371E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.000 2.000 4.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.77905E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.77578E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.75938E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.75488E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.74315E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.72552E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.72059E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.100 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.71336E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.70232E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.300 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.69686E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.69444E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.68973E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.67607E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.67124E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.65973E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.600 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.65876E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.65265E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.000 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.65083E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.63711E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.300 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.63133E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.61863E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.60893E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.60588E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.60427E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.60336E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.400 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.59714E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.59232E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.59029E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.58739E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.400 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.58691E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.58643E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.300 0.600 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.58364E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.58134E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.57030E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.56805E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.56473E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.56419E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.55932E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.55733E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.55482E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.100 0.500 0.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.54860E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.53965E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.53558E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.53477E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.300 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.51978E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.51821E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.51250E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.50477E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.50386E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.400 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.49205E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.800 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.48633E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.48559E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.48263E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.300 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.48254E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.48243E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.600 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.48163E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.47286E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.47205E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.46672E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.46335E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.45324E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.43891E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.43367E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.43223E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.43060E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.42989E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.400 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.42850E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.42799E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.42658E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.41757E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.700 0.400 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.41571E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.41429E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 1.600 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.41154E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.40966E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.40852E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.40750E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 284} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 2.700 2.700 3.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.40567E-02 ppm1 8.312 ppm2 2.938 CV 1 OR { 284} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.600 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.40461E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.39737E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.39696E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.39371E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.39343E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 293} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.000 2.000 2.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.39027E-02 ppm1 7.913 ppm2 1.237 CV 1 ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.38825E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 3.000 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.38816E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.38368E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.38360E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.37953E-02 ppm1 9.273 ppm2 0.839 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.37767E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.37738E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.37572E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.400 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.37400E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.37266E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.37173E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.600 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.37149E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.800 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.37143E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.37064E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.37061E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.36894E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.600 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.36592E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.36155E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.600 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.36060E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.35823E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.400 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.35779E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.35776E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.700 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.35766E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.35319E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.35300E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.300 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.34974E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.000 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.34788E-02 ppm1 9.151 ppm2 0.400 CV 1 ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.34763E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.34760E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.500 1.500 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.34665E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.34208E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.34158E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.33739E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.33675E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.33414E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.33362E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.33275E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.33166E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.33019E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.32787E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.32620E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.32435E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.32422E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.500 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.32421E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.32389E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.32370E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.600 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.32290E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.700 1.700 1.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.32263E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.600 0.800 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.32252E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.600 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.31837E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.31590E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.31532E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.31378E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.900 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.31348E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.31265E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.31224E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.31188E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.31071E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.900 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.30933E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.30847E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.400 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.30753E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.30676E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.30470E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 4.200 2.200 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.30435E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.200 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.30404E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.30098E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.30067E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.30030E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.29987E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.500 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.29955E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.29954E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.500 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.29765E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 2.600 0.900 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.29749E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29726E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.29591E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.29438E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.400 1.400 1.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.29269E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.29256E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 405} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.900 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.29236E-02 ppm1 8.688 ppm2 5.069 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.29054E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.28771E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.28272E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.28174E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.28168E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.28092E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.28059E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.27941E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.27812E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.27672E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.27581E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.27577E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.27562E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.27253E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.27221E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.600 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.27142E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.27019E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.26952E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.26890E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.26834E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.100 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.26831E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.26521E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.600 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.26125E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.500 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.26114E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.700 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.26113E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.800 1.800 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.25951E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.900 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.25706E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.900 1.900 1.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.25659E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.25501E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.200 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.25355E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.25258E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.400 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.25205E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.24774E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.24697E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.200 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.24612E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.24589E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.24493E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.24455E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.900 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24371E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.24287E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.24265E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.24225E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.24097E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.24035E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.23955E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.000 3.000 3.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.23451E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.23398E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.23397E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.23314E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 3.000 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.23188E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.23093E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.23017E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.22773E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.900 1.900 1.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.22687E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.22526E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.22433E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.22295E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.22179E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.22179E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.300 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.22102E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.21760E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.21339E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.20960E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.800 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.20940E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.400 0.700 0.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.20844E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20825E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.000 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.900 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.20704E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.100 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20631E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.20560E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.20542E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.20526E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.20411E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.20396E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.20341E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.500 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.20269E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.20086E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.100 2.100 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.20046E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.19871E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.300 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.19848E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.19731E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.19628E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.19597E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.19584E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.19488E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.19187E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.19165E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18924E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.600 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.18908E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.900 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.18803E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.18798E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.18776E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.18587E-02 ppm1 8.151 ppm2 4.228 CV 1 ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.18585E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.18571E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.18544E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.18470E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.600 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.18234E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.18203E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.18192E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.400 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.18070E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.18049E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.600 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.18049E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17901E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.17689E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.800 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.17428E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.17350E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.400 2.400 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.16857E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.900 1.900 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.16830E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16713E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16674E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 3.800 1.800 1.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.16672E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.700 1.700 1.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.16506E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.100 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.16505E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.16490E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.16412E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.200 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.16302E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) 3.300 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.16149E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.16135E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.300 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15958E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.300 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.15893E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15816E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.15700E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.500 1.600 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.15635E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.300 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.700 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.100 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.15521E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.15497E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.15489E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.15457E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.300 2.300 1.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.15411E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.15384E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.700 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.15377E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.000 1.100 1.100 peak 665 spectrum 1 weight 0.10000E+01 volume 0.15376E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.15248E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.15235E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.15185E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.15101E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.15060E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.15042E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.600 1.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14973E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.14914E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14904E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14849E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14836E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.14701E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.100 2.100 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14630E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.14562E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.14473E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 4.100 2.100 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.14437E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.14404E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.14399E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.700 1.700 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.14397E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.14396E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.000 2.000 2.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.14374E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 705} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.400 1.500 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.14359E-02 ppm1 7.866 ppm2 1.316 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.500 2.500 1.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.14301E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.14266E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.14209E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.14168E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.700 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.200 1.200 1.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.14034E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.200 2.200 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 2.900 1.100 1.100 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13784E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13773E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.13684E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.400 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.13677E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.100 2.100 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.13601E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.400 2.500 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.13354E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.13345E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.600 2.600 3.400 peak 748 spectrum 1 weight 0.10000E+01 volume 0.13344E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.13297E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.100 1.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.13245E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.13234E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.13199E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 4.100 2.100 1.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 2.700 3.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.13045E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 763} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 4.300 2.300 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.13033E-02 ppm1 8.177 ppm2 8.689 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.13006E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12935E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12841E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 2.900 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12806E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.12788E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.400 1.400 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12774E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.700 1.700 1.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.000 1.100 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 782} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 76 and name HG12)) 3.900 1.900 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 7.440 ppm2 1.105 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.12565E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.12555E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.800 1.800 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.200 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12514E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.12395E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.000 2.000 2.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 5.300 3.500 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.12147E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.12088E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.12075E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.200 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.12053E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.400 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.300 1.300 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12038E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.300 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.400 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 4.000 2.000 2.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11887E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.600 2.600 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11871E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.11861E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 827} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HN )) 3.300 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.11850E-02 ppm1 8.888 ppm2 7.891 CV 1 ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11835E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.400 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.300 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.400 2.400 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11782E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.000 1.100 1.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11753E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.11678E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.200 2.200 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 4.100 2.100 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.11556E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.11524E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.100 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.11422E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.100 2.100 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.11413E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11324E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.300 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.11298E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 2.700 3.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.11287E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11267E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.500 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11243E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.600 2.700 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11158E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.11149E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.700 2.700 3.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.11122E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.900 1.900 1.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.11115E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.500 2.500 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.700 2.700 3.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.900 3.000 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.300 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10906E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10893E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10888E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10860E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10856E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.400 2.500 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.700 2.700 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10840E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 4.000 2.000 2.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10791E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10779E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) 3.900 1.900 1.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 6.897 ppm2 1.262 CV 1 OR { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.500 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.800 2.800 3.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.600 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.800 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.10596E-02 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.600 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.10558E-02 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.10532E-02 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.200 1.200 1.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.10469E-02 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.400 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.10457E-02 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.200 3.400 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.10375E-02 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.10367E-02 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.400 1.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.10307E-02 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.10247E-02 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.500 2.500 1.500 peak 946 spectrum 1 weight 0.10000E+01 volume 0.10180E-02 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 4.000 2.000 2.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.10089E-02 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.100 2.100 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.000 2.000 2.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.10013E-02 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.99642E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.99497E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.99122E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.98860E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.500 1.500 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.98565E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.700 2.800 1.300 peak 972 spectrum 1 weight 0.10000E+01 volume 0.98533E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.400 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.98501E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.300 1.300 1.300 peak 975 spectrum 1 weight 0.10000E+01 volume 0.98260E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.98083E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.100 2.100 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.97579E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.97113E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.800 1.800 1.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.97092E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.600 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.96352E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.95682E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.95645E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.95607E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.95189E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.500 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.95093E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.94423E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.100 2.100 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.94086E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.93941E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.500 2.500 1.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.93196E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.700 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.93127E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.400 2.400 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.92859E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.600 2.600 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.92843E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.92628E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.92575E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.92521E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 3.800 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.92377E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.500 1.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.92071E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.600 1.600 1.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.91868E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.91594E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.200 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.91535E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.200 2.200 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.91359E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.90860E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.300 2.300 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.90801E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.500 1.500 1.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.90630E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.90619E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.90491E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 3.800 1.800 1.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.89955E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.89687E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.700 2.700 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.89290E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.89221E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 4.000 2.000 2.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.88953E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 3.700 1.700 1.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.88910E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.88781E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.000 2.000 2.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.88304E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.87978E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.800 1.800 1.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.87946E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.500 1.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.87672E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.600 2.600 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.87485E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.87340E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.87067E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 4.400 2.400 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.87019E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.86836E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.86477E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.86440E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.600 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.86322E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.500 1.500 1.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.86199E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1064} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.85899E-03 ppm1 7.293 ppm2 8.400 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.700 1.700 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.85738E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.500 1.500 1.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.85036E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.500 1.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.84082E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.800 1.800 1.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.84018E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.800 1.800 1.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.83890E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.500 1.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.83809E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.83772E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.83745E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.83681E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.900 1.900 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.83654E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.300 1.400 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.83348E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.300 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.82877E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.600 1.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.81553E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.81500E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.80691E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.400 2.500 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.80680E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.80455E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.000 3.100 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.79721E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.79346E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.78976E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 5.000 3.100 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.78816E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.600 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.78703E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.100 2.100 1.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.78612E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.100 2.100 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.78360E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 3.900 3.900 2.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.78157E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.300 3.500 0.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.78071E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.77696E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.300 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.77567E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.500 2.600 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.77449E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 4.200 2.200 1.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.77342E-03 ppm1 7.881 ppm2 1.329 CV 1 OR { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.77224E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.77208E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.200 2.200 1.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.77112E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.500 2.600 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.76983E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.700 2.700 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.76404E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.200 2.200 1.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.76324E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) 2.600 2.600 3.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.76179E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.76153E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.200 2.200 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.76083E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.800 2.900 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.75660E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.75606E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.75360E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.800 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.75349E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.900 1.900 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.75258E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.75140E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.800 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.75081E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.75006E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.400 2.500 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.74963E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.500 2.600 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.74749E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.700 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.74593E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.400 2.400 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.74583E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 4.200 2.200 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.74508E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.900 1.900 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.74492E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.300 2.300 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.74288E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 4.800 2.900 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.74277E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.800 1.800 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.74277E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.73833E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.73806E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.800 1.800 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.73795E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.600 2.600 1.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.73693E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.200 2.200 1.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.73452E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.900 3.000 1.100 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.73163E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.72943E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1198} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 76 and name HN )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.72906E-03 ppm1 9.238 ppm2 8.919 CV 1 ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.400 2.400 1.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.72874E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.700 4.000 0.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.72724E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.72595E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.72097E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.72081E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.71689E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 4.800 2.800 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.71657E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.71443E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.500 1.500 1.500 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.71314E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.200 2.200 1.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.71293E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.800 1.800 1.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.71025E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.600 2.600 1.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.70982E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 5.300 3.500 0.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.70939E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.70886E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.500 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.70736E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.70446E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.70136E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.200 2.200 1.800 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.70120E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.70109E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.600 2.700 1.400 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.69664E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.300 2.300 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.69493E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.600 1.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.69455E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.69177E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.69096E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.69064E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.68550E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.700 2.800 1.300 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.68432E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.500 2.500 1.500 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.68137E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.200 3.400 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.68014E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.67907E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.900 1.900 1.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.67901E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.67875E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.400 3.600 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.67789E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.800 2.900 1.200 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.67741E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.700 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.67703E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.200 2.200 1.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.67639E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.67628E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.66733E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.400 2.400 1.600 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.66733E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.66728E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.800 2.900 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.66690E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.66669E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.400 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.66444E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.66176E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.600 1.400 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.66165E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.700 2.800 1.300 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.66112E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.66074E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.900 1.900 1.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.65940E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.400 2.400 1.600 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.65565E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.300 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.65335E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.700 2.700 1.300 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.65303E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.65169E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.600 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.65013E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.200 2.200 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.64997E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.800 2.900 1.200 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.64762E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.64671E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.300 2.300 1.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.64638E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.800 1.800 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.64467E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.64269E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 4.800 2.800 1.200 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.63867E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.63786E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.63631E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.63015E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.400 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1357} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 3.300 1.300 1.300 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.590 ppm2 8.856 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 4.000 2.000 2.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) 3.200 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.500 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.700 1.700 1.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.600 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.700 1.700 1.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1382} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.792 ppm2 9.235 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.600 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.600 0.800 0.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.400 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.38464E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.000 0.500 0.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 3.100 1.200 1.200 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.400 1.400 1.400 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.200 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.100 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1424} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HN )) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.549 ppm2 8.059 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.000 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.300 1.400 1.400 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.400 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.200 1.300 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.100 3.100 2.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.000 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.000 3.000 3.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 1.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.600 1.600 1.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.400 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.200 2.200 3.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.400 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.500 1.500 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.300 1.400 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.500 1.500 1.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.200 1.200 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.500 1.600 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 3.000 3.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.500 1.500 1.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.300 1.400 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.400 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.200 2.200 3.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 3.300 2.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.500 3.500 2.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) 3.500 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.200 1.200 1.200 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.900 1.000 1.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.600 0.800 0.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.800 2.800 3.200 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.500 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 3.200 2.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 2.200 2.200 3.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 3.400 2.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 3.200 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.400 3.400 2.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.300 3.300 2.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.100 1.200 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1551} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.500 1.500 1.500 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.495 ppm2 0.760 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.700 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.200 0.600 0.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.300 1.300 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.500 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 3.100 3.100 2.900 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1568} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.200 1.200 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.469 ppm2 2.408 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.700 1.700 1.700 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.500 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 3.300 1.400 1.400 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.400 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.600 3.600 2.400 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.500 1.500 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.300 1.300 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.000 1.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.600 0.800 0.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 2.200 3.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.900 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 3.300 2.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.900 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.38583E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.300 1.400 1.400 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.38563E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.95393E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.000 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.95425E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.100 0.500 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.95473E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.94123E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.94123E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.94123E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.94279E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.94279E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.95243E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.26155E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.94279E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.94279E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) 2.000 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.94279E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.94316E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG1 )) 1.600 0.300 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.22111E-01 ppm1 1.680 ppm2 1.415 CV 1 OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.94380E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18302E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.94445E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.15579E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 301} (( segid " 1SG" and resid 37 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) 2.700 2.700 3.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.94477E-02 ppm1 2.366 ppm2 1.544 CV 1 ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 1.900 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.94477E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.13129E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.94643E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.11957E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.100 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.94643E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.200 2.200 3.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.94643E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11689E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.11445E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11305E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.94643E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.11183E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.94643E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11046E-01 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 367} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 6 and name HD1%) 2.100 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.10975E-01 ppm1 0.815 ppm2 0.666 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 1.900 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.94643E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10709E-01 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.94675E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.500 0.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.10382E-01 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10121E-01 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) 2.200 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.400 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.94675E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 1.900 0.400 0.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.94804E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.98849E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.94804E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.600 2.600 3.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.94804E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.97552E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.96079E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.95339E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) 1.900 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.93523E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.94954E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.91091E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.88256E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.500 0.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.94954E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.86167E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.100 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.94954E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.82995E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.82700E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.82159E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.000 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.82089E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.500 0.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.81403E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.000 0.500 0.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.80493E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 1.900 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.95425E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.94997E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) OR { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.78783E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.78403E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.78146E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.77814E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.76758E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.100 0.500 0.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.76479E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.95029E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 528} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.100 2.100 3.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.95029E-02 ppm1 0.849 ppm2 1.542 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 2.300 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.75478E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.75344E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.75204E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.95029E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) 3.000 1.200 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.73329E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.100 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.73088E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.71904E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.500 0.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.71175E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.70896E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.70548E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.69648E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.69595E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.68512E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 1.900 0.400 0.400 peak 594 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.900 0.400 0.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.67548E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.66546E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.66273E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.65694E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.65094E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 1.900 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.64612E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.64001E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.63020E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 2.500 2.500 3.500 peak 638 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 0.410 ppm2 1.483 CV 1 ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.61006E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.60797E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.300 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.60545E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.200 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.60373E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.60218E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.60106E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.600 0.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.59259E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.58246E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.57469E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.300 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.57469E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.57362E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD2%) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.57362E-02 ppm1 4.455 ppm2 0.875 CV 1 OR { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.57352E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.57143E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.56832E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.300 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.56146E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.55991E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.95093E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.54582E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 718} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 28 and name HG1%) 2.900 1.000 1.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.54206E-02 ppm1 0.905 ppm2 0.832 CV 1 ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.95270E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) 2.100 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.53487E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.53048E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.52883E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 1.900 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.95393E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.52319E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.51569E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.100 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.51374E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.51115E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.50509E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.50437E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.50369E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.50347E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.200 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.50305E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 3.000 3.000 3.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.50141E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 2.800 3.200 peak 787 spectrum 1 weight 0.10000E+01 volume 0.49917E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 789} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 104 and name HD2%) 2.200 0.600 0.600 peak 789 spectrum 1 weight 0.10000E+01 volume 0.49633E-02 ppm1 1.197 ppm2 0.828 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.49428E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.49364E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.49163E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.600 0.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.49109E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.49061E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.48755E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.48536E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.48413E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.300 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.48329E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.200 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.47738E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.47384E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.45866E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.300 0.600 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.45853E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.45432E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.45104E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.44850E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.44417E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.900 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.44211E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.44113E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.43837E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.300 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.43691E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.200 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.43396E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.42793E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.42650E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.300 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.42627E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 2.400 3.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.42252E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.600 0.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.42189E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.42142E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.200 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.41920E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.41341E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.41007E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 0.600 0.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.40767E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) 2.400 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.39889E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.39888E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.39819E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.39783E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.100 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.39434E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.38900E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.38590E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.38548E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.38518E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.38459E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.200 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.37964E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) 2.800 2.800 3.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.37908E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.100 0.500 0.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.37842E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.37692E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.37440E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.37251E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.36830E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 989} ( segid " 1SG" and resid 71 and name HD2%) (( segid " 1SG" and resid 69 and name HB )) 2.100 2.100 3.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.36675E-02 ppm1 0.748 ppm2 1.766 CV 1 ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.300 0.600 0.600 peak 990 spectrum 1 weight 0.10000E+01 volume 0.36668E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.36632E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.36607E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.36513E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1000} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HA )) 3.500 3.500 2.500 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.36130E-02 ppm1 0.867 ppm2 4.117 CV 1 ASSI { 1002} (( segid " 1SG" and resid 47 and name HB )) ( segid " 1SG" and resid 47 and name HG2%) 2.400 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.36070E-02 ppm1 2.530 ppm2 0.796 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.35877E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.35821E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.500 0.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.35775E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.35732E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.35667E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.600 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.35317E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.35248E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB2 )) 2.800 2.800 3.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.34930E-02 ppm1 0.825 ppm2 1.940 CV 1 OR { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.34604E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.100 3.100 2.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.34602E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.400 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.34179E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) 3.300 3.300 2.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.400 2.400 3.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.33917E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.33877E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.400 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.33802E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.33295E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.32881E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1079} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) 2.400 0.700 0.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.32657E-02 ppm1 0.713 ppm2 1.443 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.32599E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.300 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.32580E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.32536E-02 ppm1 0.751 ppm2 0.415 CV 1 ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.32528E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.32486E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.32223E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.32128E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.32027E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.500 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.31748E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.400 0.700 0.700 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.31704E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.31466E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.31374E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.31303E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.31104E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.30761E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.30686E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.30539E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.30082E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.30080E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.30068E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) 2.100 2.100 3.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.30036E-02 ppm1 1.326 ppm2 0.961 CV 1 OR { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.600 0.800 0.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.29739E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1173} (( segid " 1SG" and resid 52 and name HE2 )) ( segid " 1SG" and resid 47 and name HG2%) 2.800 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.29266E-02 ppm1 2.788 ppm2 0.794 CV 1 ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.29130E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.28928E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.28820E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 2.200 3.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.28775E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.28732E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) 3.100 3.100 2.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.28098E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.28032E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 1.000 1.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.27495E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.27404E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.27290E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.26939E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.26891E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.26782E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) 2.500 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.26752E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.26555E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.26487E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.26402E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1266} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.26150E-02 ppm1 0.548 ppm2 3.749 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.600 3.600 2.400 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.25885E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.25722E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.300 3.300 2.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.25662E-02 ppm1 0.928 ppm2 0.476 CV 1 OR { 1286} ( segid " 1SG" and resid 8 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.25495E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.700 0.900 0.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.25332E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.25307E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.25218E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.25215E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.25141E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.24911E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.800 1.000 1.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.200 2.200 3.800 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.24717E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.24528E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.24427E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.24360E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.24289E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 0.900 0.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.24224E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.24096E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.24082E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.23921E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.23766E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.23716E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.500 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.23708E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.500 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.23459E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.600 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.23440E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.400 0.700 0.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.23369E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.23189E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.23093E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.23003E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.22934E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.22889E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.22851E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.22796E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.800 0.800 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.22743E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.22432E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 3.000 3.000 3.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.22416E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.22350E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.500 1.500 1.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.22339E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.22292E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.22256E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 3.500 2.500 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.22124E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 2.900 1.000 1.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.21968E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) 3.400 1.400 1.400 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.21886E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.600 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.21885E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.21762E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.21642E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.21484E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.21478E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 3.400 1.400 1.400 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.21454E-02 ppm1 0.863 ppm2 0.419 CV 1 OR { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.21254E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.21216E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.21212E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.21175E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.700 0.900 0.900 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.21073E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.500 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.20959E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.800 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.20839E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.300 3.300 2.700 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.20714E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.20614E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.20472E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.600 1.600 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.20258E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.20223E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.200 3.200 2.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.20110E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1572} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 18 and name HA )) 2.800 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.19869E-02 ppm1 1.195 ppm2 3.508 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.700 2.700 3.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.600 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.19651E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.300 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.19488E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.19423E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.19229E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 3.700 1.700 1.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.19225E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.19190E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.19169E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.500 1.500 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) 2.600 0.800 0.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.18875E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.700 1.700 1.700 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.18814E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.18764E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.18580E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.700 0.900 0.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.18484E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) 2.400 0.700 0.700 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.400 1.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.18302E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.600 0.800 0.800 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.18281E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.18255E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.18083E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 2.800 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.17983E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.17923E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.17916E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.17884E-02 ppm1 4.518 ppm2 4.230 CV 1 ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.17747E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.300 2.300 3.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.17641E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.17366E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.300 1.400 1.400 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 0.412 ppm2 0.852 CV 1 ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.600 1.600 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.17142E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.17086E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.17031E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.700 0.900 0.900 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.16910E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.16886E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.400 3.400 2.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.800 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.16743E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.600 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.16673E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.16672E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.800 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.16606E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.300 1.300 1.300 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.16538E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.300 1.400 1.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.16492E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 2.900 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.16434E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.16308E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.500 1.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.16298E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.16130E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.400 1.400 1.400 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.16123E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.16056E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.000 1.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.15906E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.15877E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.15834E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.15809E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 2.900 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.15801E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.600 0.800 0.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.15747E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.15740E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.500 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.15686E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1905} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.15635E-02 ppm1 0.975 ppm2 3.753 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.500 0.800 0.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.15573E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.900 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.200 3.200 2.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.15329E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.800 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.15261E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 2.400 3.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.15087E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) 3.300 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 3.200 2.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.15001E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.14951E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.300 1.300 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.14932E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.900 1.900 1.900 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.600 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.14660E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2013} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HG2 )) 3.500 1.600 1.600 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.14490E-02 ppm1 2.167 ppm2 1.347 CV 1 OR { 2013} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.14470E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.400 2.400 3.600 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.14388E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.14382E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.14371E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.000 1.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.14368E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.700 1.700 1.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.14013E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.13942E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2077} (( segid " 1SG" and resid 50 and name HA )) (( segid " 1SG" and resid 52 and name HD1 )) 3.400 3.400 2.600 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.13919E-02 ppm1 4.015 ppm2 1.596 CV 1 OR { 2077} (( segid " 1SG" and resid 50 and name HA )) (( segid " 1SG" and resid 52 and name HD2 )) OR { 2077} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 52 and name HD1 )) OR { 2077} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13901E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13876E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 2.900 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.13792E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.13655E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.13579E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.13544E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2146} (( segid " 1SG" and resid 65 and name HD1 )) ( segid " 1SG" and resid 31 and name HB% ) 3.300 3.300 2.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.13400E-02 ppm1 3.242 ppm2 1.551 CV 1 OR { 2146} (( segid " 1SG" and resid 65 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.700 0.900 0.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 2.900 1.000 1.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.700 3.700 2.300 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.13149E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.13089E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.13060E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.13036E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 2.900 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.12988E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 3.000 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.600 1.600 1.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.200 1.300 1.300 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.12739E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.12672E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.12658E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 2.800 1.000 1.000 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.12574E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.12502E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.12435E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.12411E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.12352E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2322} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG2%) 3.400 1.500 1.500 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 1.614 ppm2 0.759 CV 1 OR { 2322} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.700 0.900 0.900 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 2.900 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.12121E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.12080E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.300 1.400 1.400 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.12001E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.11990E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.11797E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 2.800 1.000 1.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.11716E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.800 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.200 1.300 1.300 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.11483E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.11242E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.500 1.600 1.600 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.900 1.900 1.900 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.11148E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.800 1.000 1.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.11108E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.100 1.100 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) 3.500 1.500 1.500 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.11008E-02 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 2.900 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.10885E-02 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.900 1.900 1.900 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.10836E-02 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.10804E-02 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.800 0.900 0.900 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 1.444 ppm2 0.414 CV 1 OR { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 1.300 1.300 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.10659E-02 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 2.900 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.900 1.900 1.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.78714E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.67816E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.200 2.200 3.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.100 2.100 3.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 66} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 46 and name HZ2 )) 2.100 2.100 3.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.25873E-02 ppm1 7.259 ppm2 7.400 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19944E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 100} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 45 and name HA )) 2.400 2.400 3.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 7.109 ppm2 3.482 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12758E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10808E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.71529E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.70291E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.70291E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.300 2.300 3.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.70291E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.70580E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.70580E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.70580E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.300 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.66629E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.32646E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25724E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.700 0.400 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.19291E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.18581E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16616E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.14533E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14274E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14092E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13776E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13241E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12099E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11375E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.000 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11199E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 83} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.200 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.10731E-01 ppm1 7.867 ppm2 4.225 CV 1 OR { 83} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10502E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10460E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.100 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10286E-01 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.95589E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 2.600 3.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.93404E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.88400E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.87837E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.85574E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.84161E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.84148E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.100 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.83480E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.83016E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.82394E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.81871E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.81655E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.80864E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.79830E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.78338E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.77828E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.77632E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.75303E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.75002E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.74335E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.300 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.73942E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.73668E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.100 2.100 3.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.73223E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.72922E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.71378E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.70953E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.69854E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.68199E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.67734E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.67047E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.100 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.66014E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.65497E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.65274E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.64831E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.63548E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.63092E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.62009E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.600 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.61920E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.61348E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.61176E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.59885E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.300 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.59343E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.58146E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.57235E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.56951E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.56798E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.56714E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.56127E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.55677E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.55484E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.55214E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.55165E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.55120E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.600 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.54860E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.54641E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.53606E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.53392E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.53080E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.53032E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.52574E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.52388E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.52148E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.51564E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.50723E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.50341E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.50265E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.000 1.200 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.48856E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.48709E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.48173E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.300 1.400 1.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.48120E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.47446E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.47360E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.46251E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.45712E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.45642E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.45365E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.45357E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.45345E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.45271E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.44447E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.44371E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.43870E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.43553E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.42602E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.41255E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.40763E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) 3.300 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.40627E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40474E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.40408E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.600 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.40229E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.40097E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.39250E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.800 0.400 0.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.39074E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.38941E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 3.400 2.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.38683E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.38506E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.38399E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.38304E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.38031E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.700 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.37351E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.37312E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37007E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.900 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36981E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.36494E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 3.000 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36486E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.36064E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.36057E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.35499E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.35471E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.35315E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 304} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.500 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.35267E-02 ppm1 8.591 ppm2 1.513 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.400 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.35154E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.900 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.35028E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.34941E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.34919E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.34912E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.34838E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.34835E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34679E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34394E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33984E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.33894E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.33672E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33654E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.400 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.33631E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.33627E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.33618E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.33198E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 325} (( segid " 1SG" and resid 4 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.600 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.33048E-02 ppm1 8.264 ppm2 0.922 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.32874E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.600 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32699E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.32676E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.32673E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.32154E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.32107E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.31714E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31653E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.31407E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.31358E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31277E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.31174E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.31036E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.30818E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30661E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.600 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.30487E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.400 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.30474E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.30474E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.30444E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.30426E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.300 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.30351E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.600 1.700 1.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.30326E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.30315E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.600 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.29925E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.29693E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.29638E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.900 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.29494E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.29466E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.29388E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.29349E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.29315E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.29205E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.29075E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28995E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.200 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.28906E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28834E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.28640E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28608E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.200 1.300 1.300 peak 384 spectrum 1 weight 0.10000E+01 volume 0.28579E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.28290E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.28261E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.100 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28227E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.28186E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28156E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.28155E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.28064E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.27977E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 3.500 1.500 1.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.27962E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.27941E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 400} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.27769E-02 ppm1 9.270 ppm2 7.060 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27670E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 402} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.27548E-02 ppm1 7.888 ppm2 9.053 CV 1 ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.500 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.27512E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.27499E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27309E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.27168E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.26574E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.26482E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.26477E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.26405E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.26374E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.600 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.26142E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26010E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 3.000 3.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.25925E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25921E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.25907E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25617E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25586E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.25513E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.25396E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.600 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25334E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25275E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.25222E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.25219E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.24928E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.24556E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.500 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24546E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.24544E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.500 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.24393E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.400 0.700 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24162E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24118E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.23969E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.400 1.500 1.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23833E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.23742E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.400 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23691E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23286E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.000 2.000 2.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23214E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23134E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23112E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23023E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.22986E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.22908E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22808E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.700 1.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22770E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22650E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22591E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.22516E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.100 3.100 2.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22043E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21993E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21992E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21795E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21706E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21668E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.000 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21635E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 8.591 ppm2 0.849 CV 1 OR { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21325E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21173E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21086E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21052E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20848E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.20848E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20775E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20683E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20617E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.700 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.20454E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.20058E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19839E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.19682E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.600 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19481E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19461E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19393E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19294E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19185E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19172E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19119E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.500 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.19052E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.19052E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19007E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18971E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.18880E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.000 2.000 2.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18842E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18678E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.300 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18657E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18600E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.18546E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18409E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18320E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18318E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.18035E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.600 1.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17787E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.500 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.17767E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17669E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17649E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 8.151 ppm2 4.228 CV 1 ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17469E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17456E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.000 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17431E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 586} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.100 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17413E-02 ppm1 7.890 ppm2 8.886 CV 1 ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.300 1.300 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17361E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.800 1.800 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17139E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.400 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16985E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16966E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.300 1.400 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.16966E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.100 2.100 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16713E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 2.900 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16626E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16610E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16460E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.800 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16381E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16308E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.500 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.600 1.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.400 2.400 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15845E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15819E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.500 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15673E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 3.800 1.800 1.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.15671E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15514E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15500E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15426E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.800 1.800 1.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15323E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15305E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.400 1.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15000E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.900 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14970E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.400 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14926E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) 3.900 1.900 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.700 1.700 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.500 1.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14656E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14639E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 655} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HG )) 3.800 1.800 1.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 8.878 ppm2 1.313 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.600 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14589E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14567E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.600 1.600 1.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.14529E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.800 3.800 2.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14485E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14460E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14452E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 1.300 1.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14320E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14276E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.300 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14194E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.500 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.14156E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14073E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.700 1.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.600 1.600 1.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.13975E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13957E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13945E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.700 1.700 1.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13818E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.100 2.100 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13752E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.13688E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.500 1.500 1.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13604E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.13570E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13534E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.500 1.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13532E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13532E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.100 2.100 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.200 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.800 1.800 1.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13465E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13449E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.300 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13442E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.500 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13374E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.13355E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13351E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.400 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13317E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.700 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13232E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.13190E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.900 1.900 1.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.12981E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.12946E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.400 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12838E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.300 2.400 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.200 1.300 1.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) 4.200 2.200 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12543E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.100 2.100 1.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12543E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.600 1.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12499E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12454E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12450E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.100 1.200 1.200 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12439E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.000 2.000 2.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12376E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.800 2.800 3.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12225E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.400 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12158E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12076E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.300 2.300 1.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12070E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.100 1.200 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12053E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12052E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.500 1.600 1.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.500 1.600 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 782} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.11940E-02 ppm1 7.440 ppm2 1.105 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11938E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11811E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11801E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.500 1.500 1.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11790E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.300 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11762E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11650E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11584E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11524E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.200 2.200 1.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11423E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.900 3.000 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11363E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.300 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.11329E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.500 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11315E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11300E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11298E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.900 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.900 1.900 1.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11170E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.400 2.500 1.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11158E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.300 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11083E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.100 2.100 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11083E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.200 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10989E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10977E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.300 2.300 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10922E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.900 1.900 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10909E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10832E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10739E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10736E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.200 2.300 1.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.600 1.600 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10620E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.800 1.800 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10609E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.700 1.700 1.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10568E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.300 2.300 1.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.700 1.700 1.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10548E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.800 2.800 3.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10447E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.400 2.400 1.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.800 2.800 3.200 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.500 1.600 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10375E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.400 1.400 1.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.600 2.700 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.100 2.100 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.500 2.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.300 2.300 1.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 4.000 2.000 2.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10184E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.400 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.900 2.900 3.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.000 2.000 2.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.99756E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.400 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.99599E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.600 1.700 1.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.99259E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.99240E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.200 2.200 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.98998E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.300 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.98409E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.400 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.98317E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.500 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.98291E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.900 3.000 1.100 peak 939 spectrum 1 weight 0.10000E+01 volume 0.97526E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.200 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.97519E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.97441E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.500 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.96878E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.96309E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.400 2.400 1.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.95687E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.95472E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.94942E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.94830E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.94785E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.100 2.100 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.94680E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.000 2.000 2.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.94117E-03 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.93659E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.93522E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.93169E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 4.000 2.000 2.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.92927E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.800 1.800 1.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.92645E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.200 1.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.92619E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.92587E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.92358E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.100 2.100 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.92194E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.100 2.100 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.91717E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.91278E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.800 1.800 1.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.91259E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.300 2.400 1.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.90565E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.89937E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.89898E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.500 1.500 1.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.89865E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.89623E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.89473E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.89381E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.88753E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.800 1.800 1.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.88439E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.88302E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.300 2.300 1.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.87602E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.900 1.900 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.87536E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.87281E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.300 2.300 1.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.87268E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.500 2.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.87262E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.87065E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.87019E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.86967E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 3.800 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.86830E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.86542E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.800 1.800 1.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.86352E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.86091E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.86038E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.85875E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.85822E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.700 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.85404E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.200 2.200 1.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.85351E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.400 1.400 1.400 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.85188E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.500 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.85181E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.85057E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 3.700 1.700 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.84553E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.84305E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.400 2.400 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.83932E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.83866E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 3.900 1.900 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.83572E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.83448E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.900 1.900 1.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.83003E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.82695E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.82663E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.82407E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.600 2.700 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.82231E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.82100E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.100 2.100 1.900 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.81838E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 4.400 2.400 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.81793E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.81622E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.81289E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.81250E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.81138E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.600 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.81021E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1064} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.80739E-03 ppm1 7.293 ppm2 8.400 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.80589E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.79928E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.200 1.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.79032E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.800 1.900 1.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.78973E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.78855E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.500 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.78777E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.78738E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.78718E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.700 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.78652E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.78626E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.500 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.78528E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.300 1.400 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.78338E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.300 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.77900E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 4.200 2.200 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.76801E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.76657E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.76605E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.75846E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.400 2.400 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.75833E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.500 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.75624E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.000 3.200 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.74930E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.74583E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.74237E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.800 2.900 1.200 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.74086E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.73975E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.73890E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.73655E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.73465E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.100 3.300 0.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.73386E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.73026E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.72909E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.600 2.600 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.72798E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.72588E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.700 1.700 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.72575E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.72484E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.400 2.400 1.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.72359E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.400 2.400 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.71816E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.71738E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) 2.700 2.700 3.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.71607E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 4.600 2.700 1.400 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.71581E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.200 2.200 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.71515E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.500 2.500 1.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.71116E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.71064E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.70835E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.700 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.70822E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.000 2.000 2.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.70737E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.700 2.800 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.70573E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.70501E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.300 2.300 1.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.70462E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.500 2.500 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.70259E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.800 2.900 1.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.70115E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.300 2.300 1.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.70102E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 3.900 3.900 2.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.70037E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.000 2.000 2.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.70017E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.69828E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.700 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.69821E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.800 1.800 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.69814E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.69396E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.69370E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.900 1.900 1.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.69363E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.400 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.69265E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.200 2.200 1.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.69043E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.700 2.800 1.300 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.68768E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.68565E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1198} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 76 and name HN )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.68532E-03 ppm1 9.238 ppm2 8.919 CV 1 ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.200 2.200 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.68500E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.600 3.900 0.400 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.68356E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.68238E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.67767E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.67747E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.67387E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 4.700 2.800 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.67355E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.67152E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 4.300 2.300 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.67034E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.67015E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.700 1.800 1.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.66759E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 5.500 3.700 0.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.66681E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.000 2.000 2.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.66629E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.500 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.66485E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.66216E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.65922E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.65909E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 5.000 3.100 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.65896E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.600 2.600 1.400 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.65484E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.100 2.100 1.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.65322E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.400 1.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.65284E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.65094E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.500 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.65022E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.64946E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.900 3.000 1.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.64915E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.64434E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.500 2.600 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.64325E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.64047E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.500 3.800 0.500 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.63931E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.63830E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.63822E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.700 2.700 1.300 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.63801E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.200 3.300 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.63718E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.700 2.700 1.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.63672E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.600 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.63637E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.000 2.000 2.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.63578E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.63565E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.62728E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.300 2.300 1.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.62726E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.62722E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.900 3.000 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.62685E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.62664E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.400 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.62453E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1293} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 3.700 1.700 1.700 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.62406E-03 ppm1 7.469 ppm2 2.694 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.62200E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.62191E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.400 2.500 1.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.62141E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1299} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.800 2.900 1.200 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.62123E-03 ppm1 8.875 ppm2 0.650 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.61980E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.61626E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1307} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 4.300 2.300 1.700 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.61555E-03 ppm1 8.856 ppm2 9.676 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.61413E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.500 2.500 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.61382E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1313} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 4.500 2.500 1.500 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.61249E-03 ppm1 8.148 ppm2 8.823 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.500 2.600 1.500 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.61107E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.200 2.200 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.61096E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.800 2.900 1.200 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.60874E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.60785E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 3.100 3.100 2.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.60759E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.900 1.900 1.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.60596E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.60411E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 4.300 2.300 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.60030E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.59955E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.500 2.500 1.500 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.59809E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.59230E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.400 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.100 1.200 1.200 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.400 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1362} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HN )) 3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.059 ppm2 7.543 CV 1 ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.500 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.600 0.900 0.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.400 1.400 1.400 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.500 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.400 1.400 1.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.600 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.800 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.400 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.900 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.600 1.600 1.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.300 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.100 1.200 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.000 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.300 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.400 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.200 1.300 1.300 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.600 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.400 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.200 3.200 2.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.000 1.200 1.200 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.300 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.800 1.800 1.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.400 1.400 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.300 2.300 3.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.200 1.300 1.300 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.400 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.100 1.200 1.200 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.400 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.500 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.400 1.400 1.400 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 3.000 3.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.400 1.500 1.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.600 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.300 2.300 3.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1506} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.827 ppm2 0.599 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.300 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.400 3.400 2.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) 3.300 1.400 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.900 1.000 1.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.800 1.000 1.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 3.000 3.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 2.300 2.300 3.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.300 3.300 2.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 3.200 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.400 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.400 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.400 3.400 2.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.200 3.200 2.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 3.300 2.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.600 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 3.000 3.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.300 3.300 2.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.500 0.800 0.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.800 2.800 3.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1568} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 2.900 1.100 1.100 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.469 ppm2 2.408 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.300 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.400 1.400 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.600 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 3.100 1.200 1.200 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.400 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.500 3.500 2.500 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.500 1.500 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1586} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 104 and name HD1%) 3.600 1.600 1.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.914 ppm2 0.954 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.200 1.300 1.300 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.300 1.300 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.500 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.000 1.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.800 1.000 1.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 2.300 3.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.400 3.400 2.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.900 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.36266E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.300 1.400 1.400 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.36248E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.86306E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.000 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.86339E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.100 0.500 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.86378E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.85155E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.85155E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.85155E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.85299E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 2.000 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.86169E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 173} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 38 and name HA )) 1.600 1.600 4.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24126E-01 ppm1 3.883 ppm2 3.881 CV 1 OR { 173} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 38 and name HA )) ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.23663E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.85299E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.85299E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.85299E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.85332E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.100 2.100 3.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.85391E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) 1.900 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16558E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.85449E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14095E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD1 )) 1.800 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13749E-01 ppm1 1.417 ppm2 1.679 CV 1 OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.000 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.85476E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11879E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10818E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.000 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.100 2.100 3.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.100 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10576E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10355E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10285E-01 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10228E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.000 2.000 4.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10118E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.99940E-02 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.85626E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.96891E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.85659E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 385} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) 1.900 1.900 4.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.85659E-02 ppm1 1.327 ppm2 0.929 CV 1 OR { 385} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.93928E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.91573E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) 2.300 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.91121E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.85659E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.85777E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.89433E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.500 2.500 3.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.85777E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.500 2.500 3.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.85777E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 2.100 3.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.88262E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.100 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.86928E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.86261E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.84612E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.85914E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.82414E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.79850E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.85914E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.77959E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.85914E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.75087E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.74826E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.74328E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.74269E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.73648E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.100 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.72824E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 1.900 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.86339E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.85947E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.71280E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.70933E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.100 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.70704E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.300 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.70403E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.69442E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.100 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.69193E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.85973E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 528} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.100 2.100 3.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.85973E-02 ppm1 0.849 ppm2 1.542 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.68290E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.68166E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.68042E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.67786E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.400 2.400 3.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.85973E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.66341E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.66125E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.65054E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.64393E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.64145E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.63828E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.63014E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.62965E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.61985E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.100 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 0.676 ppm2 0.417 CV 1 OR { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.900 0.400 0.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.61112E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.60208E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 612} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HB )) 2.300 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.60140E-02 ppm1 1.013 ppm2 1.941 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.59960E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.59438E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.58893E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.000 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.58457E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.57904E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.57017E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 2.400 2.400 3.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 0.410 ppm2 1.483 CV 1 ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.55195E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.55006E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.54779E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.54622E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.54484E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.54379E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.52699E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.52558E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.51995E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.51994E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.51899E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) 2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.51890E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.51698E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.51420E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.300 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.50799E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.50657E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD2%) 2.900 1.000 1.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.49381E-02 ppm1 0.712 ppm2 0.620 CV 1 OR { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.49380E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.200 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.86195E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.200 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.48393E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.47994E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.47846E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.86306E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.47335E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.46656E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.200 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.46480E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.46246E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.45698E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.400 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.45632E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.45571E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.45551E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.45513E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 2.700 2.700 3.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.45365E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.45162E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 789} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 104 and name HD2%) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.44905E-02 ppm1 1.197 ppm2 0.828 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.44723E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.44719E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.44662E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.44480E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.44431E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.44388E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.44111E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.43913E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.43802E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.43726E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.43191E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42870E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.41878E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.300 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.41497E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.41486E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.41104E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.40807E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.40578E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.40186E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.40000E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.39911E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.39661E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.39529E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.39262E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.38717E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.38587E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.38566E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.600 2.600 3.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.38227E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.38170E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.38127E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.300 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.37927E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.37404E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.37101E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.600 0.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36884E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.36090E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.36089E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.36026E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.300 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.35993E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.35677E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.35195E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.34914E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.34876E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.600 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.34848E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34796E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.34347E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) 2.800 2.800 3.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.34297E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.34237E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.34102E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33874E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33703E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.33322E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.33219E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.33175E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.33120E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.33035E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1000} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HA )) 3.200 3.200 2.800 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.32689E-02 ppm1 0.867 ppm2 4.117 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.32459E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.32409E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.000 0.500 0.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.32367E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.32328E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.32269E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.700 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31953E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.31890E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.31308E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.000 3.000 3.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.31306E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.30924E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 3.200 2.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.30810E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.500 2.500 3.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.30686E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30650E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.30582E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.30124E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.600 0.900 0.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.29748E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.29555E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.29494E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.29476E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.800 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.29437E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.29429E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.29067E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.28976E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.500 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.28723E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.28684E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.28386E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.28322E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.28141E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.27830E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.27763E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.000 1.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27630E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.27216E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 2.400 2.400 3.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.27215E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 2.600 3.400 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.27209E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.27204E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.27147E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26907E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1173} (( segid " 1SG" and resid 52 and name HE2 )) ( segid " 1SG" and resid 47 and name HG2%) 2.800 1.000 1.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.26479E-02 ppm1 2.788 ppm2 0.794 CV 1 ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.26355E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.26173E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.26075E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.26063E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 2.300 3.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.26035E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.25995E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) 3.000 3.000 3.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.25421E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.25361E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24973E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.24876E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24794E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.24690E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.24374E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.24329E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.24269E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.24231E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) 2.500 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.24165E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.700 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.24026E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1266} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.23659E-02 ppm1 0.548 ppm2 3.749 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.200 3.200 2.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23517E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.23419E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.23294E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.23272E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.23224E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.000 3.000 3.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.23218E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.23067E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.900 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22919E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22896E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22816E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22813E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.22539E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1323} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.22461E-02 ppm1 2.535 ppm2 4.651 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.900 1.000 1.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.22439E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.300 2.300 3.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.22363E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.400 1.500 1.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.22192E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.22100E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.22039E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21916E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21801E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21789E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.21642E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.800 1.000 1.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.21502E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.21450E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.21224E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.600 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.500 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20980E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.20812E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.20770E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.20749E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.800 1.000 1.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.20708E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.20674E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.20624E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20577E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.20295E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 3.000 3.000 3.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.20281E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.200 3.200 2.800 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.20136E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 3.500 2.500 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.20017E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 2.900 1.100 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19801E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.600 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19800E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.19690E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.19591E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.19581E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.19438E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.19432E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.19230E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.19191E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19066E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.600 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.18875E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.18854E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.000 3.000 3.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.18840E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18741E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.18663E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.300 1.300 1.300 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.18328E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.18296E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.100 3.100 2.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.18195E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1576} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HG )) 3.200 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.17931E-02 ppm1 4.452 ppm2 0.920 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.17817E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17779E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.500 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.17632E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17573E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17397E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17362E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.600 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.17343E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.300 1.400 1.400 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.17200E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.400 3.400 2.600 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.17117E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.17077E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.17022E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16977E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16811E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1655} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HG2%) 3.300 3.300 2.700 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.16785E-02 ppm1 0.793 ppm2 0.557 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16724E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16705E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.16568E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) 3.300 1.300 1.300 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16558E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.800 1.000 1.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.16516E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16360E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.000 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16271E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.300 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16216E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.16209E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.700 0.900 0.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.16180E-02 ppm1 4.518 ppm2 4.230 CV 1 ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16056E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.100 3.100 2.900 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15960E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15953E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.15712E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 0.412 ppm2 0.852 CV 1 OR { 1752} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.300 1.300 1.300 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15509E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.15458E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15409E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.15299E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15277E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.100 3.100 2.900 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.15184E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.15100E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.15084E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.15084E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1811} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 50 and name HA )) 2.900 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.15041E-02 ppm1 0.869 ppm2 3.945 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.15041E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.14963E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.200 1.300 1.300 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14921E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14869E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14755E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14746E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14594E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.400 1.400 1.400 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14587E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.14526E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.300 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14365E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) 3.600 3.600 2.400 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14310E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.14304E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14303E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14296E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.600 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.600 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1905} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.900 1.100 1.100 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.14145E-02 ppm1 0.975 ppm2 3.753 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.14087E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.200 3.200 2.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13807E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13743E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 2.500 3.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13682E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.000 1.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13650E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.400 3.400 2.600 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.300 1.300 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) 3.000 1.200 1.200 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.13462E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13339E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.600 1.600 1.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13298E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13275E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 2.900 1.100 1.100 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.13157E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2008} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 35 and name HA )) 3.000 1.100 1.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.13152E-02 ppm1 0.923 ppm2 4.674 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.13095E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.500 2.500 3.500 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.800 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.800 1.800 1.800 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.13012E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.13002E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2032} (( segid " 1SG" and resid 40 and name HG2 )) (( segid " 1SG" and resid 40 and name HA )) 3.300 1.300 1.300 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.12989E-02 ppm1 1.255 ppm2 4.552 CV 1 OR { 2032} (( segid " 1SG" and resid 40 and name HG1 )) (( segid " 1SG" and resid 40 and name HA )) ASSI { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 3.100 1.200 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.12872E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG1%) 3.000 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 3.129 ppm2 0.966 CV 1 OR { 2053} (( segid " 1SG" and resid 27 and name HD2 )) ( segid " 1SG" and resid 8 and name HG1%) OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.500 3.500 2.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.12615E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.200 1.200 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12577E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12498E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 3.000 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12479E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 1.000 1.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12355E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12285E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.000 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2146} (( segid " 1SG" and resid 65 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) 3.300 3.300 2.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 3.242 ppm2 1.551 CV 1 OR { 2146} (( segid " 1SG" and resid 65 and name HD1 )) ( segid " 1SG" and resid 31 and name HB% ) ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.400 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 2.900 1.000 1.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.600 3.600 2.400 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.11939E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.300 1.300 1.300 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.200 3.200 2.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11897E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.100 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11842E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11816E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 2.900 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11751E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11637E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11601E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 2.900 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.400 1.500 1.500 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.11541E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.200 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11525E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11516E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.900 1.100 1.100 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11452E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 3.500 1.600 1.600 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11406E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.200 3.200 2.800 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.300 1.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.300 3.300 2.700 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.11175E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.11149E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11118E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.300 1.300 1.300 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.11090E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2322} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.300 1.300 1.300 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.11067E-02 ppm1 1.614 ppm2 0.759 CV 1 OR { 2322} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.800 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.11029E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10929E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10867E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10860E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10858E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10847E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.100 1.200 1.200 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.10772E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10749E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2379} (( segid " 1SG" and resid 13 and name HB2 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.600 2.600 3.400 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 2.629 ppm2 1.972 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10723E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10673E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 3.000 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.10659E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10606E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.800 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 2436} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 3.000 1.100 1.100 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 4.768 ppm2 2.030 CV 1 ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.200 1.300 1.300 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10389E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.400 1.400 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10333E-02 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.500 1.500 1.500 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.10103E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.800 1.800 1.800 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.800 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.100 1.100 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.99874E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.99599E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.99586E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.500 1.500 1.500 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.98481E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.98042E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.97748E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.100 1.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 1.444 ppm2 0.414 CV 1 OR { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.96446E-03 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.96433E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.94268E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.93509E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.700 1.700 1.700 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.93365E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.800 1.800 1.800 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.92443E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.75408E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.64963E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.200 2.200 3.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33653E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.600 2.600 3.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.100 2.100 3.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 66} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 46 and name HZ2 )) 2.200 2.200 3.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.24784E-02 ppm1 7.259 ppm2 7.400 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19105E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 102} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 102 and name HD% ) 3.000 3.000 3.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13190E-02 ppm1 6.552 ppm2 6.764 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.300 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.600 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.300 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10354E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.100 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.68519E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) 2.500 2.500 3.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.67335E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 185} ( segid " 1SG" and resid 70 and name HE% ) (( segid " 1SG" and resid 28 and name HB )) 1.900 1.900 4.100 peak 185 spectrum 1 weight 0.10000E+01 volume 0.67335E-02 ppm1 6.589 ppm2 1.945 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.67335E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.67616E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.67610E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67610E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.300 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.68826E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.33721E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.26571E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.700 0.300 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.19925E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19193E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.17163E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.15011E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14744E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14556E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14229E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.100 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13677E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12498E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11750E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 1.900 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11568E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10848E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10804E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10625E-01 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.98738E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.96478E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.200 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.91311E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.90731E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.88389E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.86933E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.86918E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.100 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.86230E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.85747E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.85105E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.84566E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.000 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.84342E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.83527E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.82458E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.80916E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.200 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.80391E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.80188E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.300 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.77785E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.77475E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.76782E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.76375E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.76090E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.000 2.000 4.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.75637E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.500 0.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.73728E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.73290E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.72150E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.70439E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.100 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.69961E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.69258E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.100 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.68184E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.67655E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.67421E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.66962E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.65639E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.65170E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.64051E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.600 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.63959E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.63368E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.63190E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.61856E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.61296E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.60059E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.59118E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.58828E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.58665E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.58583E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.57972E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.57509E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.57310E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.57031E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.56980E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.56934E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.300 0.600 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.56664E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.56440E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.55371E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.55147E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.54826E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.54775E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.54307E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.300 3.300 2.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.54114E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.500 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.54037E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.53864E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.53263E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.52393E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.51996E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.51920E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.100 1.100 peak 228 spectrum 1 weight 0.10000E+01 volume 0.50464E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.50312E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.49758E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.49007E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.500 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.48919E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.47773E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.800 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.47217E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.47144E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.46858E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.300 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.46850E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.46838E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.46761E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45909E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.45831E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.45313E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.44987E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.44005E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.400 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.42614E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.42104E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.41965E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.41807E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.41737E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.41602E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.41553E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.500 1.600 1.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.41416E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.40542E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.700 0.400 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.40361E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.40223E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 1.600 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.39956E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.39773E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.500 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.39662E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.39564E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 284} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 2.800 2.800 3.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.39386E-02 ppm1 8.312 ppm2 2.938 CV 1 OR { 284} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.600 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.39283E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.700 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.38580E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.38540E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.38225E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.800 1.000 1.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.38198E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.37694E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 3.000 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.37687E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.37251E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.37243E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.36667E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.36639E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.600 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.36478E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 304} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.36428E-02 ppm1 8.591 ppm2 1.513 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.400 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.36311E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.36181E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.36091E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.36068E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.800 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.36062E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.35985E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.35982E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.35820E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.35526E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.35009E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.34780E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.34761E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.34738E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.34734E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.700 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.34725E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.34291E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.34273E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.33956E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.700 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.33775E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.33751E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.33748E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.33655E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.33213E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.33164E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.700 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.32694E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.32441E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.32391E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.32306E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.32058E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.31832E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.600 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.31670E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.31491E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.400 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.31478E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.500 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.31478E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.31446E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.31428E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.600 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.31350E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.800 1.800 1.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.31324E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.600 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.31313E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.30910E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.30670E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.30614E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.30465E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.30435E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.30355E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.30315E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.30280E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.300 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.30167E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.30032E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.29949E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.300 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.29783E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.29583E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.29550E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.200 1.300 1.300 peak 384 spectrum 1 weight 0.10000E+01 volume 0.29519E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.29221E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.29191E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.29156E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.29114E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.29082E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.29082E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.28988E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28899E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 2.600 0.900 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.28883E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.28860E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.28730E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.400 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28417E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.28404E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.28208E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.28062E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.27449E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.27354E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.27348E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.27242E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.27127E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.27002E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26866E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.26778E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.26774E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.26760E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.26459E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.26428E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26352E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.26232E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.26167E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.26107E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.26052E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.26050E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.25748E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.25364E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.25353E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.25352E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.600 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.25196E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.900 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24958E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.800 1.900 1.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24912E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.400 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.24758E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.24523E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.24471E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.24053E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23978E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.000 1.100 1.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23895E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23780E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.23743E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.900 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.23661E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.23580E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.23558E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.23520E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23396E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.23335E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.23024E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.000 3.000 3.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22768E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.800 1.800 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.22635E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.22513E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.22420E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.22381E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.700 1.700 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.22268E-02 ppm1 8.591 ppm2 0.849 CV 1 OR { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.22027E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21870E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21780E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 3.100 1.200 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21745E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.21646E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.21534E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.400 1.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.21533E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.21459E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.21364E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.21295E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.600 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.21127E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.20633E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.20493E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.800 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.20331E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.500 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.20237E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.20122E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.20101E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20031E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.19961E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19929E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19817E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.400 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.19679E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.19678E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19632E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.19595E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.19501E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.200 2.200 1.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.19463E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.19293E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.400 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.19212E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.19156E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.19056E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.19026E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18923E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18921E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.18628E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.18607E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.400 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18373E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.300 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.18357E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.18352E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.18256E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.900 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.18046E-02 ppm1 8.151 ppm2 4.228 CV 1 ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.18030E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17933E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17703E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17663E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.400 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.17544E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.17524E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.300 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.17524E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17380E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 2.900 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.17174E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16920E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16845E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.500 1.500 1.500 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16766E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.300 2.300 1.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.16366E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.900 1.900 1.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16226E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16189E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 3.800 1.800 1.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.16187E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.16025E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.100 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.16025E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15934E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 639} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.15774E-02 ppm1 8.593 ppm2 6.922 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.15666E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15494E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.15462E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.15418E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 3.900 1.900 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15356E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.15243E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.400 1.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.15139E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.900 1.900 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.700 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.15080E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.100 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.15069E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.600 1.600 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.15038E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.600 1.600 1.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.15007E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.000 2.000 2.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14936E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.700 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14929E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 1.300 1.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14791E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14746E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14743E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14661E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.500 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14604E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.14514E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.14480E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.700 1.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14470E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.000 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.14448E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.800 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14404E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14386E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.000 2.000 2.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.14265E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 10.115 ppm2 0.595 CV 1 ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.14017E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.700 1.700 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13977E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.300 2.300 1.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13955E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13935E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.600 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.500 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13892E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.200 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.700 1.700 1.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13851E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 2.000 2.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.13795E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.200 2.200 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13791E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13755E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.700 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13667E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.200 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.100 1.200 1.200 peak 728 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.400 2.400 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.13447E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.000 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13383E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.300 1.300 1.300 peak 735 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.13205E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.300 2.300 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.400 1.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12972E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12956E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.600 2.600 3.400 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12955E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.500 1.500 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12910E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12859E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12848E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12815E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.800 1.800 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.600 2.600 3.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12666E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12558E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12474E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12465E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.000 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12450E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12449E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12432E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.12416E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.300 1.400 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12402E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.000 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.12332E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.800 1.800 1.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12178E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.400 1.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12149E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.12034E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11903E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.000 2.000 2.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11800E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 5.300 3.500 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11724E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.200 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.300 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11688E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11671E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11648E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 821} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 3.800 1.800 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.11558E-02 ppm1 8.940 ppm2 4.983 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.900 1.900 1.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11540E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.300 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11537E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 4.600 2.700 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11525E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.11516E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 827} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HN )) 3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.11505E-02 ppm1 8.888 ppm2 7.891 CV 1 ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.300 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11479E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11448E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.400 2.400 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11447E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.000 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.100 2.100 1.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11351E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.100 2.100 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11281E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 4.100 2.100 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11268E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.11219E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.11189E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.11092E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.11089E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10995E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.400 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10970E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 2.700 3.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10958E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.500 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.600 2.700 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10911E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.700 2.700 3.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10791E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.400 2.500 1.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.700 2.700 3.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10724E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.500 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10654E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.700 2.800 1.300 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10597E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.100 2.100 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.800 1.800 1.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.900 1.900 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10572E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10544E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10540E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.400 2.400 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.700 2.800 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.900 1.900 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.400 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10465E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.800 2.800 3.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.10357E-02 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10331E-02 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10304E-02 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.200 2.200 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.500 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.10226E-02 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.200 1.300 1.300 peak 929 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10156E-02 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.500 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.700 2.800 1.300 peak 939 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.700 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.10065E-02 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.200 1.300 1.300 peak 943 spectrum 1 weight 0.10000E+01 volume 0.10007E-02 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.99481E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.400 2.500 1.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.98835E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.98611E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.98066E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.97949E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.97903E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.200 2.200 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.97796E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.100 2.100 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.97216E-03 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.000 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.96743E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.96600E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.96234E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.95984E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.95694E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.700 2.700 1.300 peak 972 spectrum 1 weight 0.10000E+01 volume 0.95669E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.300 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.95633E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.200 1.300 1.300 peak 975 spectrum 1 weight 0.10000E+01 volume 0.95399E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.100 2.100 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.95231E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.100 2.100 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.94737E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.94284E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.900 1.900 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.94264E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.500 1.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.93546E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.92894E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.92858E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.300 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.92823E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.92787E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.92573E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.91672E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.900 1.900 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.91347E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.91209E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.500 2.500 1.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.90486E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.800 1.800 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.90420E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.400 2.400 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.90155E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.400 2.400 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.90140E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.500 2.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.90130E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.89931E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.89880E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.89824E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 3.800 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.89687E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.89392E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.600 1.600 1.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.89193E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.300 2.300 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.88929E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.300 1.400 1.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.88867E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.200 2.200 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.88699E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.88649E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.88216E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.100 2.100 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.88160E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.500 1.500 1.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.87992E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.87982E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.87854E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.100 2.100 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.87335E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.600 1.600 1.600 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.87076E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.600 2.600 1.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.86694E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.86622E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 4.000 2.000 2.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.86363E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 3.800 1.800 1.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.86322E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.86195E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.700 1.800 1.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.85737E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.85416E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.85385E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.85121E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.600 2.600 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.84937E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.84800E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.000 2.000 2.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.84535E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 4.300 2.300 1.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.84489E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.700 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.84311E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.83960E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.83919E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.700 1.700 1.700 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.83807E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.500 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.83690E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1064} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.83395E-03 ppm1 7.293 ppm2 8.400 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.600 1.700 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.83242E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.82560E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.400 1.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.81634E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.800 1.800 1.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.81573E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.800 1.800 1.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.81450E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.81369E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.81333E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.81308E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.81242E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.900 1.900 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.81216E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.500 1.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.81109E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.200 1.300 1.300 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.80921E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.300 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.80463E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.700 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 4.300 2.300 1.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.79328E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.79180E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.79129E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1103} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.78432E-03 ppm1 8.925 ppm2 9.242 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.78340E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.600 2.600 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.78330E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.78111E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.000 3.200 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.77398E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.77037E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.76675E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.900 3.000 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.76523E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.76411E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.000 2.000 2.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.76324E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.76075E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.75881E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.100 3.200 0.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.75800E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.75433E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.300 2.300 1.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.75311E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.500 2.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.75194E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 4.300 2.300 1.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.75092E-03 ppm1 7.881 ppm2 1.329 CV 1 OR { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.74975E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.700 1.700 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.74960E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.74868E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.500 2.600 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.74741E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.700 2.700 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.74176E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.74099E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) 2.900 2.900 3.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.73962E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.73937E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.200 2.200 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.73865E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.600 2.700 1.400 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.73453E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.73402E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.73163E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.800 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.73158E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.900 1.900 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.73066E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.72954E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.800 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.72898E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.72822E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.72781E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.400 2.400 1.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.72572E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.700 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.72420E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.500 2.500 1.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.72409E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 3.900 3.900 2.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.72343E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.900 1.900 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.72323E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.72124E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.600 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.72119E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.72114E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.71681E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.71656E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.800 1.800 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.71646E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.500 2.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.71549E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.000 2.000 2.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.71315E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.800 2.900 1.200 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.71030E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.200 2.200 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.70821E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.300 2.300 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.70755E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.500 3.700 0.500 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.70607E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.000 2.000 2.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.70480E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.69996E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.69981E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.69604E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 4.700 2.700 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.69574E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.69360E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.600 1.600 1.600 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.69238E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.69218E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.700 1.700 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.68958E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 5.200 3.400 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.68876E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.68820E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.600 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.68678E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.800 1.800 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.68393E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.68092E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.68082E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.68067E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.400 1.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.67639E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.100 2.100 1.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.67471E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.900 2.900 3.100 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.67431E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.000 2.000 2.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.67237E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.500 2.500 1.500 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.67161E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.67085E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.67049E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.66555E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.500 2.600 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.66443E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.500 2.500 1.500 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.66153E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.200 3.400 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.66036E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.65929E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.65924E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.500 2.500 1.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.65898E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.300 3.600 0.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.65817E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.700 2.800 1.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.65766E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.600 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.65730E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.100 2.100 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.65669E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.65659E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.700 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.64794E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.300 2.300 1.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.64789E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.64789E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.800 2.900 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.64748E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.64728E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.500 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.64509E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 3.800 1.800 1.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.64249E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.64239E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.500 2.600 1.500 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.64188E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1299} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.600 2.700 1.400 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.64168E-03 ppm1 8.875 ppm2 0.650 CV 1 ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.64152E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.900 1.900 1.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.64020E-03 ppm1 8.799 ppm2 4.230 CV 1 ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.63653E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.400 2.400 1.600 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.63435E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.500 2.600 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.63404E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.63272E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.700 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.63119E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.100 2.100 1.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.63109E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.800 2.900 1.200 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.62880E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.62783E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.62757E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.900 1.900 1.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.62590E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.62401E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 4.800 2.900 1.200 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.62004E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.61928E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.61780E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.61179E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.100 1.200 1.200 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.400 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 2.600 0.800 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.141 ppm2 3.855 CV 1 OR { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.600 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.000 2.000 2.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) 3.200 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.400 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.500 1.500 1.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.600 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.800 1.800 1.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.600 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.500 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.800 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.800 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.200 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.37344E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.200 0.600 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.900 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1404} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HN )) 3.300 1.300 1.300 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.241 ppm2 8.316 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.200 1.200 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.400 1.400 1.400 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 2.900 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.100 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1424} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HN )) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 7.549 ppm2 8.059 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.200 1.200 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.200 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.000 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.37364E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.600 3.600 2.400 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.700 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.200 3.200 2.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.000 1.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.000 3.000 3.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 1.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.700 1.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.600 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.200 2.200 3.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 2.900 1.100 1.100 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.300 1.300 1.300 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.400 1.500 1.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.000 1.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 1.600 1.600 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.500 1.500 1.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.800 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.500 1.600 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.500 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 3.000 3.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 3.300 2.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.500 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 2.900 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.200 2.200 3.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.200 3.200 2.800 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.500 1.500 1.500 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.400 3.400 2.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.300 1.300 1.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.900 1.000 1.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 2.200 2.200 3.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 3.400 2.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.700 1.700 1.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 3.200 1.300 1.300 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.400 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.400 3.400 2.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.400 3.400 2.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1551} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.400 1.500 1.500 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.495 ppm2 0.760 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.600 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 3.000 3.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.500 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.400 1.400 1.400 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.900 2.900 3.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.500 1.500 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.800 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.500 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 3.200 1.300 1.300 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.400 1.400 1.400 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.500 1.500 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.900 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.400 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 2.600 3.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.000 1.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.700 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 2.200 3.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 3.300 2.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.37460E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.300 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.37441E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.90099E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.000 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.90130E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.100 0.500 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.90171E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.88898E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.88898E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.88898E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.89046E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.89046E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.89957E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.24703E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.89046E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.89046E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.89046E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.89076E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.100 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.89137E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) 1.900 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17285E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.89198E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14715E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD1 )) 1.800 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.14353E-01 ppm1 1.417 ppm2 1.679 CV 1 OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 1.900 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.89234E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.12400E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.89387E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.11294E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.100 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.89387E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.100 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11040E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10810E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10737E-01 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10678E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.89387E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10562E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.89387E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.10433E-01 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.89387E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 1.900 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.89387E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10115E-01 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.89417E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.98056E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) 2.200 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.95124E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.89417E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.94666E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.93362E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.600 2.600 3.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.89539E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.92141E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.90746E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.90048E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.88328E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.89682E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.86032E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.83359E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.89682E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.81384E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.89682E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.78386E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.78111E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) 2.400 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.77597E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.77536E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.76884E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.100 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.76024E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 1.900 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.90130E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.89723E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.74410E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.74049E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.73809E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.73494E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.72496E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.100 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.72231E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.89748E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 528} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.100 0.600 0.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.89748E-02 ppm1 0.849 ppm2 1.542 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.71289E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.600 0.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.71157E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.71030E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) 2.400 0.700 0.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.70765E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.400 2.400 3.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.89748E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.69253E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.69029E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.67909E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.500 0.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.67222E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.66962E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.66631E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.65781E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.65730E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.64707E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.000 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.900 0.400 0.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.63796E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.62854E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.62595E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.62050E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.61480E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.000 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.61022E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.60446E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.59520E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 2.000 2.000 4.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.57621E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.57422E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.57183E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.57020E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.56878E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.56766E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.55972E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.55015E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.54276E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.400 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.54276E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.54180E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.54170E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.53971E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.53681E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.600 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.300 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.53029E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.52882E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.89814E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.51548E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.500 0.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.89982E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) 2.200 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.50518E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.50102E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.49947E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.90099E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.49414E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.48706E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.200 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.48522E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.48277E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.47705E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.47636E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.47573E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.47552E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.200 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.47512E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 2.800 2.800 3.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.47357E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 2.800 3.200 peak 787 spectrum 1 weight 0.10000E+01 volume 0.47145E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.46687E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.46684E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.46624E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.46433E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.46382E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.46337E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.46048E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.45842E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.45726E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.45646E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.45088E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.44753E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.43716E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.43320E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.43308E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.42910E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.42600E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.42360E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.41951E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.41757E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.41664E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.41403E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.41265E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.40987E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.40417E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.40282E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.300 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.40260E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 892} (( segid " 1SG" and resid 18 and name HB )) (( segid " 1SG" and resid 17 and name HB )) 2.700 2.700 3.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.40062E-02 ppm1 1.932 ppm2 4.041 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 2.500 3.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.39906E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.39847E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.39802E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.200 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.39593E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.39046E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.38730E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.600 0.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.38503E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.37675E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.37674E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.37608E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.37574E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.37245E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.36741E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.36448E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.36408E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.600 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.36379E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.36324E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.300 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.35856E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) 2.800 2.800 3.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.000 0.500 0.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.35741E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.35600E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.35362E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.35183E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.34785E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.34632E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.34598E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.34575E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.34486E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 996} (( segid " 1SG" and resid 74 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.400 0.700 0.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.34286E-02 ppm1 1.110 ppm2 0.418 CV 1 OR { 996} (( segid " 1SG" and resid 74 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.33885E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.33832E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.500 0.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.33788E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.33748E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.33686E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.33356E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.33291E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB2 )) 2.800 2.800 3.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.32991E-02 ppm1 0.825 ppm2 1.940 CV 1 OR { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.32683E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.100 3.100 2.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.32680E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.32282E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 3.200 2.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.32163E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.500 2.500 3.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.32034E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.31996E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1065} (( segid " 1SG" and resid 45 and name HG2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.800 2.800 3.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.31641E-02 ppm1 0.602 ppm2 0.823 CV 1 ASSI { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.31447E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.31055E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.30854E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.30789E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.400 2.400 3.600 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.30771E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.30730E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.700 0.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.30722E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.30682E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.30434E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.30344E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.30249E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.500 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.29985E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.29944E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.29720E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.29632E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) 2.600 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.29565E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.29377E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.28983E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.28844E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.28412E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.500 0.800 0.800 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.28410E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.28405E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.28399E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) 2.100 2.100 3.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.28368E-02 ppm1 1.326 ppm2 0.961 CV 1 OR { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.600 0.800 0.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.28340E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.28088E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.200 1.200 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.27513E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.27322E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.27220E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.27208E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 2.200 3.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.27178E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.500 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.27136E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) 3.100 3.100 2.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.26475E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.26070E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.25968E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.25883E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.25774E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.25444E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.25398E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.25335E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.25295E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) 2.500 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.25266E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.25227E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.500 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.25081E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.600 0.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1255} (( segid " 1SG" and resid 45 and name HB2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.800 2.800 3.200 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.25009E-02 ppm1 0.615 ppm2 0.827 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.24937E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.400 3.400 2.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.24550E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.24448E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.700 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.24294E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.24244E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.000 3.000 3.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.24237E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.24080E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1295} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.800 1.000 1.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.23959E-02 ppm1 0.828 ppm2 1.193 CV 1 ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.300 0.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.23902E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.23818E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.23815E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.23745E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.23528E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.900 1.000 1.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.200 2.200 3.800 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.23345E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.400 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.23167E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.23071E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.23008E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.22940E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.22879E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 3.300 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.22593E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.22447E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.500 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.22392E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.22156E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.600 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.22139E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.400 0.700 0.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.22072E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.21901E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.21811E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.21726E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.21683E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.21660E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.21618E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.21582E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.21530E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.21480E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.21187E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.21109E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.400 1.400 1.400 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.21099E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.21054E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.21035E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.21021E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 3.500 2.500 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.20896E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 2.900 1.000 1.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.20748E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20671E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.600 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.20670E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.20554E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.900 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.20452E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.20441E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.20292E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.20285E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.20223E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1488} (( segid " 1SG" and resid 45 and name HG2 )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 3.000 3.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 0.602 ppm2 0.994 CV 1 ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.20038E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.20034E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19999E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19903E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.600 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.19795E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.19682E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.200 3.200 2.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.19668E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.400 1.400 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.19564E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.19483E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.19469E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.19335E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.200 1.200 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.200 3.200 2.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.18994E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.700 2.700 3.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.18599E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.18345E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.18161E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.18157E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.18105E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.500 1.500 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.17956E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.600 1.600 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.17868E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) 2.600 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.400 1.400 1.400 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.17723E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.17548E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.600 2.600 3.400 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.17458E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.17295E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) 3.300 1.300 1.300 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.17286E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.600 0.800 0.800 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.17266E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.17241E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.17079E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 2.900 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16985E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1697} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HB2 )) 2.900 1.000 1.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.16966E-02 ppm1 3.508 ppm2 1.639 CV 1 ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.16891E-02 ppm1 4.518 ppm2 4.230 CV 1 ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.200 3.200 2.800 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.300 2.300 3.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.16661E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.16654E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.16402E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 2.300 0.700 0.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 0.412 ppm2 0.852 CV 1 OR { 1752} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.600 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.16190E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.16086E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.15971E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15948E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.600 1.700 1.700 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.15851E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.800 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.15813E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.15747E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.15746E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1811} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 50 and name HA )) 2.900 1.100 1.100 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.15702E-02 ppm1 0.869 ppm2 3.945 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.15702E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.300 1.400 1.400 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.200 1.300 1.300 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.200 1.200 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.200 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.15403E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.15394E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15234E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.400 1.400 1.400 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.15228E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.15164E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.15023E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.300 1.400 1.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14955E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) 3.500 3.500 2.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.14932E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14931E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14924E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.600 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.500 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1905} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.900 1.000 1.000 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.14766E-02 ppm1 0.975 ppm2 3.753 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.600 0.800 0.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.14709E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.14705E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.200 3.200 2.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.800 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.14414E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.14346E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 2.400 3.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.14266E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 3.000 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.14250E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.300 1.300 1.300 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.14168E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.400 1.400 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.14103E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) 2.900 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 3.000 1.100 1.100 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13925E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.700 1.800 1.800 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13863E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13846E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.13735E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.13671E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13667E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.400 2.400 3.600 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.13655E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.800 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.13589E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.800 1.800 1.800 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.13573E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.000 1.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.13571E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 3.000 1.200 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.13421E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2053} (( segid " 1SG" and resid 27 and name HD2 )) ( segid " 1SG" and resid 8 and name HG1%) 3.000 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 3.129 ppm2 0.966 CV 1 OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG1%) OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.600 3.600 2.400 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2074} (( segid " 1SG" and resid 80 and name HG1 )) ( segid " 1SG" and resid 82 and name HB% ) 3.100 1.200 1.200 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.13156E-02 ppm1 2.175 ppm2 1.330 CV 1 OR { 2074} (( segid " 1SG" and resid 80 and name HG2 )) ( segid " 1SG" and resid 82 and name HB% ) ASSI { 2077} (( segid " 1SG" and resid 50 and name HA )) (( segid " 1SG" and resid 52 and name HD1 )) 3.300 3.300 2.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 4.015 ppm2 1.596 CV 1 OR { 2077} (( segid " 1SG" and resid 50 and name HA )) (( segid " 1SG" and resid 52 and name HD2 )) OR { 2077} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 52 and name HD1 )) OR { 2077} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13129E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.13120E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.000 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.13047E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 3.000 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.13026E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12792E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2146} (( segid " 1SG" and resid 65 and name HD1 )) ( segid " 1SG" and resid 31 and name HB% ) 3.300 3.300 2.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.12656E-02 ppm1 3.242 ppm2 1.551 CV 1 OR { 2146} (( segid " 1SG" and resid 65 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.12601E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 2.900 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.12489E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.300 3.300 2.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.12463E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.400 1.400 1.400 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.12420E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2188} (( segid " 1SG" and resid 37 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) 3.200 1.200 1.200 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.12387E-02 ppm1 2.341 ppm2 1.526 CV 1 ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.12362E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.12335E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.12313E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 2.900 1.000 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.12267E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.12148E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 3.000 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.12072E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.600 1.600 1.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.12048E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 0.900 0.900 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11955E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 2.900 1.000 1.000 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11907E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 3.500 2.500 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11876E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.200 3.200 2.800 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.100 1.200 1.200 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.11696E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.400 3.400 2.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.900 1.900 1.900 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.11639E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.400 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.800 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.11469E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.11448E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.11409E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.600 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.400 1.500 1.500 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.11324E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.11221E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.11193E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 2.900 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.11127E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.11078E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.11071E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.200 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.11066E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) 2.800 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10982E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) 3.200 1.300 1.300 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.10886E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.600 1.600 1.600 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.900 1.900 1.900 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.10529E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.800 1.000 1.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.600 1.600 1.600 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.100 1.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 1.444 ppm2 0.414 CV 1 OR { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.10069E-02 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.10067E-02 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.98407E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.97618E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.600 1.600 1.600 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.97466E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 4.000 2.000 2.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.96503E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.76848E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.66209E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.200 2.200 3.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.34297E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.500 2.500 3.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.000 2.000 4.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 66} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 46 and name HZ2 )) 2.100 2.100 3.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.25258E-02 ppm1 7.259 ppm2 7.400 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.400 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12455E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10552E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.69833E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.68622E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 186} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 47 and name HG2%) 2.100 2.100 3.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.68622E-02 ppm1 7.088 ppm2 0.769 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.68622E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.300 2.300 3.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.68622E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.68907E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.68902E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.68902E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 8} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HE22)) 1.500 0.300 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.62948E-01 ppm1 7.451 ppm2 6.922 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.33434E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.26345E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19030E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 45} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HE21)) 1.800 0.400 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.18359E-01 ppm1 6.645 ppm2 6.985 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.17017E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14618E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14432E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14108E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13560E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12391E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11650E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.000 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11470E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10756E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10712E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10535E-01 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.97899E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.95654E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.90530E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.500 0.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.89959E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.87639E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.86191E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.86179E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.85498E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.85013E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.84379E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.83842E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.83623E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.82815E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.81753E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.80224E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.79711E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.79503E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.77120E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.600 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.76814E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.76127E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.75729E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.75446E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.000 2.000 4.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.74991E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.74679E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.73098E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.72665E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.71534E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.69838E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.69364E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.68666E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.100 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.67605E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.67079E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.300 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.66849E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.66393E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.65083E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.64616E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.63508E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.63415E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.62827E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.62654E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.61326E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.60773E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.59549E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.58614E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.58326E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.58170E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.58084E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.57481E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.57020E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.56822E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.56496E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.56450E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.56183E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.55959E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.54900E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.54680E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.54360E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.54311E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.53842E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.53651E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.300 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.53406E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.100 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.52808E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.51946E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.51556E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.51478E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.100 1.200 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.50035E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.49884E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.49598E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.49335E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.300 1.400 1.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.49282E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.48590E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.48503E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.47366E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.600 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.46815E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.900 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.46743E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.46459E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.46451E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.46439E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.46363E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45519E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.45441E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.44927E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.44604E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.43630E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.42251E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.41746E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) 2.600 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.41607E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.41451E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.300 1.400 1.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.41382E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.500 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.41248E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.41199E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.41064E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.40197E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.800 0.400 0.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.40017E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.39880E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 1.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.39616E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.39435E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.39325E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.39227E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.38949E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.600 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.38252E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.38213E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37900E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.37374E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.37365E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.36934E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.36926E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.36355E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.36327E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.36168E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.36002E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.900 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.35873E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.35784E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.35761E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.35755E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.35676E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.35515E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.35224E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.34804E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.600 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.34712E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.34484E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.34465E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.400 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.34442E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.34438E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.34429E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.33999E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.33981E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.33667E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.700 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.33488E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.33464E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.33461E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.33369E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.32930E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.32881E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.32478E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.900 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.32416E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.32165E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.32115E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.32031E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.31926E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.31785E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.31562E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.600 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.31401E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.31222E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.31210E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.31210E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.31178E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.31160E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.400 1.500 1.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.31083E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.700 1.700 1.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.31057E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.31046E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.600 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.30647E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.30409E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.600 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.30353E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.30206E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.900 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.30177E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.30097E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.30057E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.30022E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.29910E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.29776E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.29694E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.200 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.29530E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.29331E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 3.900 1.900 1.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.29298E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.200 1.300 1.300 peak 384 spectrum 1 weight 0.10000E+01 volume 0.29268E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.28973E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.28943E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28908E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.28866E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.500 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28835E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.28835E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.28741E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.28615E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 400} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.28439E-02 ppm1 9.270 ppm2 7.060 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.28337E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.400 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.28175E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.28162E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27967E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.27823E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27696E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.27216E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.27121E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.000 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.27116E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.27042E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.27010E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.26896E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.26772E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26637E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.26550E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.26546E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.26532E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.26203E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26128E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.26009E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25945E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25885E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.600 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.25831E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.25828E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.25529E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.25148E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.500 1.600 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.25138E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.700 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.25136E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.600 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.24981E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24700E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.24548E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.24408E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.24314E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.24263E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23849E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23774E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23692E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23670E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23578E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.23541E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.23460E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.23379E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.500 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.23320E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23197E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.23136E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.23060E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.100 3.100 2.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.22524E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.22442E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.22321E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.22229E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.22191E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.22157E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21839E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21684E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21595E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 3.100 1.200 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21560E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.21461E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.21351E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.200 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.21351E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.21276E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.800 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.21182E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.21114E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.500 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.20542E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.20157E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.600 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.20064E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20047E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19951E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19860E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.19791E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19775E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19759E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19648E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.500 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.900 1.900 1.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.19511E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 3.000 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19465E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.19428E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.19335E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.100 2.100 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.19297E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.800 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.19128E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.400 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.19049E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.18993E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18894E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18853E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.200 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18760E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.18470E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18216E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.18201E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.18196E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.18095E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.18075E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17892E-02 ppm1 8.151 ppm2 4.228 CV 1 ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17876E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 586} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17833E-02 ppm1 7.890 ppm2 8.886 CV 1 ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.300 1.300 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17523E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17513E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.500 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.000 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.17375E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.500 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.17374E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.17116E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.17028E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.17011E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16857E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16681E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16623E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.300 2.300 1.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.16227E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16093E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15889E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.100 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15798E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.200 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15737E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15693E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15674E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15362E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.15330E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.15299E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.15286E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 3.900 1.900 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15225E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.900 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.500 1.600 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.15050E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.600 1.600 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.500 2.600 1.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14951E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.200 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14918E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.14879E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.100 2.100 1.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14835E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14809E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14801E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14666E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14621E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.300 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14617E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.200 2.200 1.800 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14536E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.500 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.14497E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.000 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.14325E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.14311E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14294E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14282E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14264E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.14152E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.200 2.200 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.14144E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14083E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 696 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.500 1.500 1.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13866E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13861E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.700 1.700 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.300 2.300 1.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13837E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13790E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13774E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.700 1.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13733E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13696E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13683E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.13677E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13673E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.400 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.700 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.200 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.13509E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.000 2.000 2.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13294E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.13287E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.100 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13258E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.600 1.600 1.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.13093E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.400 2.500 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12988E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.200 1.300 1.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12855E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12846E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.700 2.700 3.300 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12845E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.500 1.500 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12738E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12674E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12642E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 2.700 3.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12557E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 763} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 8.177 ppm2 8.689 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.300 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.500 1.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12367E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12361E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.000 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.100 1.200 1.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12343E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.12311E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.500 1.600 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12296E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.12277E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.000 1.100 1.100 peak 779 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.12096E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.12086E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12074E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.400 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11931E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11803E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.400 2.400 1.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11774E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11699E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 5.100 3.200 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11636E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.300 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11617E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.300 1.400 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11600E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11570E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11549E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.900 1.900 1.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.600 2.600 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.300 2.300 1.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.300 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11381E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11351E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.400 2.400 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11341E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11313E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.100 2.100 1.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11254E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.11241E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.200 2.200 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 841} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HN )) 4.300 2.300 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.11193E-02 ppm1 7.875 ppm2 8.104 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.800 1.900 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11172E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10995E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.200 2.200 1.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10987E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.500 1.600 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.800 2.800 3.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.700 1.700 1.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10823E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.400 2.400 1.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10802E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.900 1.000 1.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10741E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10732E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.800 2.800 3.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.800 2.800 3.200 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.500 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.400 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.600 2.600 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10539E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.400 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10507E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.100 2.100 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10498E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 4.000 2.000 2.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10451E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.500 2.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.600 2.600 1.400 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10435E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.900 1.900 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10429E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.100 2.100 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.400 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.700 3.700 2.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.600 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10243E-02 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10216E-02 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.400 2.500 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.600 1.700 1.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.200 2.200 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.300 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10069E-02 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.10066E-02 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.700 2.800 1.300 peak 939 spectrum 1 weight 0.10000E+01 volume 0.99878E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.99872E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.700 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.99791E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.200 1.300 1.300 peak 943 spectrum 1 weight 0.10000E+01 volume 0.99214E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.600 1.600 1.600 peak 944 spectrum 1 weight 0.10000E+01 volume 0.98631E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.400 2.400 1.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.97997E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.97772E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.97229E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.97120E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.97073E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.200 2.200 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.96964E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.100 2.100 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.95919E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.95775E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.95417E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 4.000 2.000 2.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.95169E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.94881E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 972 spectrum 1 weight 0.10000E+01 volume 0.94852E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.400 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.94817E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.200 1.300 1.300 peak 975 spectrum 1 weight 0.10000E+01 volume 0.94586E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.100 2.100 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.94419E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.000 2.000 2.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.93929E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.93478E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.800 1.800 1.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.93461E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.500 1.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.92751E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.92105E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.92071E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.500 1.500 1.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.92036E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.91788E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.91534E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.90893E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.90570E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.90432E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.400 2.500 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.89716E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.900 1.900 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.89647E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.400 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.89387E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.500 2.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.89370E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.89168E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.89116E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.89064E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.000 2.000 2.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.88926E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.88631E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.800 1.800 1.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.88435E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.88170E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.88112E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.87945E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.900 1.900 1.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.87893E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.87466E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.100 2.100 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.87408E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.500 1.600 1.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.87241E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.500 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.87235E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.87108E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 3.900 1.900 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.86595E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.86335E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.500 2.500 1.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.85954E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.85885E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.800 1.800 1.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.85625E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 3.900 1.900 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.85585E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.85464E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.700 1.700 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.85008E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.84685E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.84656E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.84396E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.800 2.900 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.84217E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.100 2.100 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.84079E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.83813E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 3.600 1.600 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.83767E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.700 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.83594E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.83248E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.83207E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.800 1.800 1.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.83092E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.82977E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.700 1.700 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.82532E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.81857E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.100 2.100 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.80940E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 4.000 2.000 2.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.80876E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.80755E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.80674E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.80640E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.80617E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.80553E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.80524E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.500 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.80420E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.300 1.400 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.80230E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.400 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.79780E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 3.900 1.900 1.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.78655E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.78505E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.78453E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.77674E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.400 2.400 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.77662E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.500 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.77443E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.100 3.200 0.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.76739E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.76381E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.76023E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.900 3.000 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.75873E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.75758E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.100 2.100 1.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.75677E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.000 2.000 2.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.75429E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.900 3.900 2.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.75239E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.100 3.300 0.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.75158E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.74789E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.300 2.300 1.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.74667E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.600 2.700 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.74558E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.74338E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.74321E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.74229E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.500 2.500 1.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.74108E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.600 2.600 1.400 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.73548E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.000 2.000 2.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.73467E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) 2.600 2.600 3.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.73334E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 3.000 3.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.73306E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.100 2.100 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.73236E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.800 2.800 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.72832E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.72538E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.800 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.72532E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.100 2.100 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.72446E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.72330E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.700 2.800 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.72273E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.72203E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.72163E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.500 2.500 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.71955E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.800 2.900 1.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.71805E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.71794E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 4.100 2.100 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.71725E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.100 2.100 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.71707E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.71511E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 4.700 2.700 1.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.71505E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.71499E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.600 2.600 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.71424E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.800 1.800 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.71072E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.71044E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.900 1.900 1.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.71038E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.500 2.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.70940E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.200 2.200 1.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.70709E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.800 2.900 1.200 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.70426E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.70218E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1198} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 76 and name HN )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.70184E-03 ppm1 9.238 ppm2 8.919 CV 1 ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.400 2.400 1.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.70149E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.400 3.700 0.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.70005E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.000 2.000 2.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.69878E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.100 2.100 1.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.69399E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.69382E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 4.800 2.800 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.68984E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.68770E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 4.000 2.000 2.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.68649E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.200 2.200 1.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.68632E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.800 1.800 1.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.68372E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.600 2.700 1.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.68326E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) 4.900 3.000 1.100 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.68285E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.68234E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.600 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.68089E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.67812E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.67512E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.67501E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.67489E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.800 2.800 1.200 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.67062E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.300 2.300 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.66895E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.300 2.300 1.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.66860E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.66664E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.66589E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 3.000 3.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.66514E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.66479E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.65989E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.600 2.700 1.400 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.65879E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.65591E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.300 3.500 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.65475E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.65371E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.65360E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.600 2.700 1.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.65337E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.400 3.700 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.65256E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.700 2.800 1.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.65210E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.600 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.65170E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.000 2.000 2.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.65112E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.100 2.100 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.65100E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.64240E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.100 2.100 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.64240E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.64235E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.900 3.000 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.64194E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.64177E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.500 2.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.63958E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 4.100 2.100 1.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.63698E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.600 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.63692E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.400 2.500 1.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.63640E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1299} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.800 2.900 1.200 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.63623E-03 ppm1 8.875 ppm2 0.650 CV 1 ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.63606E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.63473E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.63115E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.400 2.400 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.62913E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.62896E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.62861E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.62729E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.500 2.600 1.500 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.62579E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.300 2.300 1.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.62567E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.600 2.700 1.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.62342E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.200 2.200 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.62250E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.62227E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 4.000 2.000 2.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.62059E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.61869E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 4.600 2.700 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.61477E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.61402E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.300 2.300 1.700 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.61251E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.400 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.60657E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.200 1.300 1.300 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.600 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.400 1.400 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 4.000 2.000 2.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) 3.200 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.600 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.500 1.600 1.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.500 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.000 1.200 1.200 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.800 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.200 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.37026E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.200 0.600 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.900 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.200 1.200 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.600 1.600 1.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1424} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HN )) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 7.549 ppm2 8.059 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.000 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 2.900 3.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 1.400 1.400 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.100 3.100 2.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.200 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.300 2.300 3.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.300 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.300 1.300 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.300 1.400 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.500 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.500 1.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 3.000 3.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.500 1.500 1.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 2.900 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.300 2.300 3.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.500 3.500 2.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.300 1.400 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.800 1.800 1.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.300 3.300 2.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.000 2.000 2.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 2.900 1.000 1.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.300 3.300 2.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1551} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.200 3.200 2.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.495 ppm2 0.760 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.700 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.600 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 3.000 3.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.400 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.500 1.500 1.500 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.200 1.200 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.900 2.900 3.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.300 1.400 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.600 1.700 1.700 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 3.000 3.000 3.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.300 1.400 1.400 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1586} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 104 and name HD1%) 3.500 1.500 1.500 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.914 ppm2 0.954 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.400 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.37066E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.300 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.000 1.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.900 1.000 1.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 2.300 3.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.700 1.700 1.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 3.300 2.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.900 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.37141E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.500 1.500 1.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.89514E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.89543E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.89584E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.88320E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.88320E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.400 2.400 3.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.88320E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.88464E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.89370E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.24542E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.88464E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.88464E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.88464E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.88499E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.100 2.100 3.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.88556E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) 1.900 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17173E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.88620E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14618E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD1 )) 1.800 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.14260E-01 ppm1 1.417 ppm2 1.679 CV 1 OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 1.900 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.88649E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.12320E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.88805E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.11220E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.100 2.100 3.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.88805E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10968E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10740E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.88805E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) 2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10493E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.88805E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.10365E-01 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.88805E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.88805E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.88833E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.97420E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.94973E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) 2.300 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.94506E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.88833E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.88960E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.92757E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.88960E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.500 2.500 3.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.88960E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.91540E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.90155E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.89462E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.87754E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.89099E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.85469E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.82815E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.89099E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.80853E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.89099E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.77876E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.77599E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.77091E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.77027E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.76381E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.100 0.500 0.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.75527E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 1.900 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.89543E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.89139E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.73923E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.73565E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.100 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.73329E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.73011E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.72025E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.71765E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.89168E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 528} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.100 2.100 3.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.89168E-02 ppm1 0.849 ppm2 1.542 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.70824E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.70697E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.70565E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.70305E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.89168E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.68805E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.100 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.68580E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.67466E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.66785E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.66526E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.100 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.66197E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.65354E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.65302E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.64287E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.000 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.900 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.63381E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.62446E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.62186E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.61644E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.61078E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.000 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.60628E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.60051E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.59134E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 2.000 2.000 4.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.57244E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.57048E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.300 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.56812E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.56650E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.56507E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.56398E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.55605E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.54655E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.53925E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.53924E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.53826E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.53816E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.53617E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.53329E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.600 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.200 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.52685E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) 2.300 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.52537E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.89226E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.51214E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.89393E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.200 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.50189E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.49776E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.49621E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.89514E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.49092E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.48388E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.300 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.48206E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.47963E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.47395E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.400 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.47326E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.47263E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.47242E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.200 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.47203E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 2.900 2.900 3.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.47049E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.46838E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 789} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 104 and name HD2%) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.46572E-02 ppm1 1.197 ppm2 0.828 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.46383E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.46380E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.46320E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.46131E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.46080E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.46035E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.45748E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.45543E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.45428E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.45349E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.44795E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.44462E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.43432E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.43038E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.43025E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.42630E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.500 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.42322E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.42084E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.41678E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.41485E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.41393E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.41133E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.40996E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.40720E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.40020E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.39998E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 2.500 3.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.39646E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.39588E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.200 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.39335E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.38792E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.38478E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 0.600 0.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.38252E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.37429E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.37428E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.37363E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.37329E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.37002E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.36501E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.36210E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.36171E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.36142E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.36087E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.300 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.35622E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) 2.900 2.900 3.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.35570E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.600 0.800 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.35368E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.35131E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.34954E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.34559E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.34453E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.300 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.34372E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.34349E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.34261E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.33664E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.33612E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.000 0.500 0.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.33568E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.33529E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.33467E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.700 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.33139E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.33074E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.32470E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.000 3.000 3.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.32468E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.32072E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) 3.300 3.300 2.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.31953E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.400 2.400 3.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.31826E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.31787E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.31717E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.31242E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.30853E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.30653E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.100 1.100 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.30529E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.30521E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.30482E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.30236E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.30146E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.30052E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.29790E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.29749E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.29526E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.29439E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.29373E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.600 0.800 0.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.29185E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.28863E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.28794E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.28656E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.28226E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.28225E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.28220E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.28214E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) 2.200 2.200 3.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.28183E-02 ppm1 1.326 ppm2 0.961 CV 1 OR { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.600 0.800 0.800 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.28155E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.27905E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1173} (( segid " 1SG" and resid 52 and name HE2 )) ( segid " 1SG" and resid 47 and name HG2%) 2.200 0.600 0.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.27461E-02 ppm1 2.788 ppm2 0.794 CV 1 ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.27334E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.27144E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.200 1.300 1.300 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.27031E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 2.200 3.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.27001E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) 2.500 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.26959E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) 3.000 3.000 3.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.26365E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.26303E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.25900E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.25799E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.25715E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.25607E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.25278E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.600 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.25232E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.400 0.700 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.25170E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.25130E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) 2.500 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.25102E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.25062E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.24917E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.24853E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1255} (( segid " 1SG" and resid 45 and name HB2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.24846E-02 ppm1 0.615 ppm2 0.827 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.24774E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.400 3.400 2.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.24527E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.500 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.24390E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) 2.900 1.100 1.100 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.24289E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) 2.500 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.24086E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.000 3.000 3.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.24079E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.23923E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.900 1.100 1.100 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.23769E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.23746E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.23663E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.000 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.23660E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.23590E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.23375E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1323} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HA )) 2.700 0.900 0.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.23295E-02 ppm1 2.535 ppm2 4.651 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.900 1.100 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.23272E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.400 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.23016E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.22858E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.22791E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 0.900 0.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.22730E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.400 0.700 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.22610E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.22598E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.22446E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.800 1.000 1.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.22300E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.22254E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.500 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.22247E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.22012E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.400 0.700 0.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.21928E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.21759E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.21669E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.21584E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.21542E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.21519E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.21477E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.21441E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.21340E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 3.000 3.000 3.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.21034E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.20971E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.400 3.400 2.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.20961E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.20917E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.20898E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.20884E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 3.500 2.500 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.20760E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.000 1.100 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20536E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.500 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.20420E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.20319E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.20308E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.20160E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.20153E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.19943E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.600 0.800 0.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) 3.000 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19869E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19774E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.600 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.19666E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.19554E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.200 3.200 2.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.19540E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.300 1.400 1.400 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.19356E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.19209E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.500 1.500 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.19009E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.100 3.100 2.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.18870E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1576} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HG )) 3.300 1.300 1.300 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.18596E-02 ppm1 4.452 ppm2 0.920 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.18478E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18439E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.18286E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.18225E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.700 1.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.18039E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.17987E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.300 1.300 1.300 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.17752E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) 2.600 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.500 1.500 1.500 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.17607E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.17434E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.17344E-02 ppm1 1.575 ppm2 2.922 CV 1 ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) 2.400 0.700 0.700 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.17325E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.17183E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.400 1.400 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.17173E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.17154E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16968E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 2.900 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16875E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16818E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.16811E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.16781E-02 ppm1 4.518 ppm2 4.230 CV 1 OR { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16652E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.200 3.200 2.800 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16572E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 3.000 1.100 1.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.16545E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.16295E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.16205E-02 ppm1 0.412 ppm2 0.852 CV 1 OR { 1752} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.400 1.500 1.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.16033E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.15867E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15844E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.200 3.200 2.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.15748E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1811} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 50 and name HA )) 2.900 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.15599E-02 ppm1 0.869 ppm2 3.945 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.15599E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.800 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.15581E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.15519E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.300 1.400 1.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.15475E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1830} (( segid " 1SG" and resid 29 and name HA )) ( segid " 1SG" and resid 8 and name HG2%) 2.900 1.000 1.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.15426E-02 ppm1 4.395 ppm2 0.954 CV 1 ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.15303E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.15294E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.500 1.500 1.500 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.15065E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14898E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) 3.500 3.500 2.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.14835E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14834E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14826E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1894} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 3.100 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.14783E-02 ppm1 0.958 ppm2 4.912 CV 1 OR { 1894} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 28 and name HA )) ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.14775E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.14770E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.500 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14718E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1905} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.14670E-02 ppm1 0.975 ppm2 3.753 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.600 0.900 0.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.14613E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.14609E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 3.400 2.600 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.14320E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.14253E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 2.500 3.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.14190E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 3.200 2.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.000 3.000 3.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.14029E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.400 1.400 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.14011E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.13962E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.800 1.800 1.800 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13792E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13768E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13756E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.13645E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.13582E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.500 2.500 3.500 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.13566E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.800 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.13501E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.800 1.800 1.800 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.13495E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.13485E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.000 1.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.13482E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 3.400 2.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.13149E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.100 1.200 1.200 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13043E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13020E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12962E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 3.000 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12942E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.12519E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.700 0.900 0.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.12436E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 2.900 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.12408E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.600 3.600 2.400 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) 3.300 3.300 2.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.12339E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.000 1.100 1.100 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.12069E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12031E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 2.900 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.400 1.500 1.500 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11878E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 3.600 1.700 1.700 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11798E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11731E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.300 1.400 1.400 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11646E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.400 3.400 2.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11614E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.11590E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.11562E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.300 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.400 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2322} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.300 1.400 1.400 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.11478E-02 ppm1 1.614 ppm2 0.759 CV 1 OR { 2322} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.800 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.11438E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.200 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.11270E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.11263E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.100 1.200 1.200 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.11261E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.11148E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2379} (( segid " 1SG" and resid 13 and name HB2 )) (( segid " 1SG" and resid 12 and name HB2 )) 3.400 3.400 2.600 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.11140E-02 ppm1 2.629 ppm2 1.972 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.11120E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 2.900 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.11054E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.000 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.000 1.100 1.100 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10999E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) 2.800 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 3.400 1.500 1.500 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10897E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10879E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) 3.000 1.200 1.200 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10774E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10549E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.600 1.600 1.600 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) 3.500 1.500 1.500 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.10330E-02 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 2.900 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.10328E-02 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.400 1.400 1.400 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.900 1.900 1.900 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 1.300 1.300 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.97766E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.96981E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.96831E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.900 1.900 1.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.95879E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.76572E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.65966E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.200 2.200 3.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.34173E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.500 2.500 3.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.100 2.100 3.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 66} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 46 and name HZ2 )) 2.100 2.100 3.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.25166E-02 ppm1 7.259 ppm2 7.400 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19400E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 85} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 46 and name HD1 )) 3.200 3.200 2.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.16737E-02 ppm1 7.117 ppm2 7.129 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16389E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 102} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 102 and name HD% ) 3.000 3.000 3.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 6.552 ppm2 6.764 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.100 2.100 3.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.600 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12410E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.100 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.69578E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 1.800 1.800 4.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.68372E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 185} ( segid " 1SG" and resid 70 and name HE% ) (( segid " 1SG" and resid 28 and name HB )) 1.800 1.800 4.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.68372E-02 ppm1 6.589 ppm2 1.945 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.68372E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 1.800 1.800 4.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.68372E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.68655E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) 2.200 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.68655E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.68655E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 8} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HE22)) 1.500 0.300 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.60301E-01 ppm1 7.451 ppm2 6.922 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.32029E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25238E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.18230E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 45} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HE21)) 1.800 0.400 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.17587E-01 ppm1 6.645 ppm2 6.985 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16301E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.14257E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14004E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13825E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13515E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12990E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11870E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11160E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10987E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10303E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10261E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.93781E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.91635E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.86725E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.86178E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.83952E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.82568E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.82558E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.81901E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.81444E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.80832E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.80321E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.000 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.80110E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.79333E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.78320E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.76855E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.76359E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.76163E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.300 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.73882E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.900 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.73586E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.72929E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.300 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.72543E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.72272E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.000 2.000 4.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.71840E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.71540E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.200 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.70025E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.69614E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.68531E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.66906E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.100 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.66449E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.100 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.65782E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.200 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.64764E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.64258E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.64037E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.63606E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.62347E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.61896E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.400 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.60837E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.60747E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.60185E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.60020E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.58751E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.300 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.58220E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.57046E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.56153E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.55873E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.55722E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.55642E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.55065E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.54624E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.600 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.54433E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.54167E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.54122E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.54077E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.53821E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.53606E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.52593E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.52382E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 2.800 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.52076E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.51580E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.300 3.300 2.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.51394E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.51324E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.300 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.51158E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.50587E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.49762E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.49389E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.49314E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.000 1.100 1.100 peak 228 spectrum 1 weight 0.10000E+01 volume 0.47931E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.47787E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.47512E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.47261E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.300 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.47210E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.46548E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.46463E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.45375E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.800 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.44847E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.900 1.100 1.100 peak 244 spectrum 1 weight 0.10000E+01 volume 0.44778E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.44506E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.44498E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.44487E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.44414E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.43605E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.43531E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.43039E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.42729E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.41796E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.40475E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.39991E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) 2.600 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.39859E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.39709E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.39642E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.400 0.700 0.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.39514E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.39467E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.39338E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.38507E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.800 0.400 0.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.38335E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.38204E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 3.400 2.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.37951E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.37777E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.37672E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.37578E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.37311E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.700 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.36644E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.36606E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.36307E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 3.000 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36281E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.35802E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 3.100 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.35795E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.35382E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.35374E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.34827E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.34800E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.600 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.34647E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 304} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.34599E-02 ppm1 8.591 ppm2 1.513 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34488E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.900 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.34365E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.34279E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.34258E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.34252E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.34178E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.34176E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34023E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.33743E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33341E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.33252E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.33035E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33017E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.32994E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.32990E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.32982E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.32570E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.32553E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.600 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.32252E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.400 1.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32080E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.32057E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.32054E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.300 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.31966E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.800 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.31546E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.31499E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.31113E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.900 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31053E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.600 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.30813E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.30765E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.30685E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.30584E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.30449E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.400 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.30235E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30081E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.29910E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.29898E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.29898E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.29868E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.29850E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.600 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.29776E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.29752E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.29741E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 361} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.300 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.29401E-02 ppm1 8.256 ppm2 1.312 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.600 2.600 3.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.29131E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.600 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.28936E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.28908E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.28831E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.28793E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.28760E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.28525E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28446E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.100 1.200 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.28359E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28288E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.700 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.28098E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 3.800 1.800 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28067E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.28038E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 1.400 1.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.27755E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.27726E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.100 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.27693E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.27652E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.500 1.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.27622E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.700 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.27533E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.27448E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 3.700 1.700 1.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.27433E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.27412E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.27288E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27146E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.26991E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.26979E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.26792E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26654E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.26531E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.26071E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.300 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.25981E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.25976E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.900 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.25905E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.25875E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) 3.600 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.25766E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.25647E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.25434E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25430E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.25417E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25131E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25101E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.25030E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 433} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA1 )) 3.400 1.400 1.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.24926E-02 ppm1 9.115 ppm2 3.473 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.24915E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.100 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.24456E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.24091E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24081E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.700 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.24080E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.23705E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.23661E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.23516E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23382E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.23292E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23243E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.900 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.22846E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.22774E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.22696E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.900 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.22675E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.22551E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22376E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 478} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 3.000 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.22344E-02 ppm1 9.408 ppm2 4.521 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22339E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22222E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.800 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22163E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.22090E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.000 3.000 3.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.21625E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21576E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21498E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 3.000 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21383E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21295E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.000 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21226E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21000E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.20921E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.20772E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.20687E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20559E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.000 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20382E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.900 1.100 1.100 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20226E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.700 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.20066E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.19678E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19598E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.19310E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.600 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.19221E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19204E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19112E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.900 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19092E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19026E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.18943E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18929E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.18822E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.18808E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.300 2.300 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18691E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.700 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.18691E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 3.000 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18611E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.900 1.900 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18486E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18324E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.300 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18303E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18248E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.18195E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18100E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18071E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18060E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17973E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.17972E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.200 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.17673E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17450E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.17431E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17315E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17140E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17138E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17125E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17101E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 586} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.100 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17083E-02 ppm1 7.890 ppm2 8.886 CV 1 ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.200 3.200 2.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16786E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.800 1.800 1.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.16776E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.200 1.300 1.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16663E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.000 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16644E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.300 1.400 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.16644E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 3.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16508E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.900 1.900 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 2.900 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16296E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15999E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.700 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.15924E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15520E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15417E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15376E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.15375E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.200 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15076E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15033E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15016E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 639} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.14982E-02 ppm1 8.593 ppm2 6.922 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14892E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14880E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.14716E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.900 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14686E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.400 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14655E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14643E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14585E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14418E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.400 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14379E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14362E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 655} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HG )) 3.700 1.700 1.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 8.878 ppm2 1.313 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.700 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14312E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.100 2.100 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14284E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.000 2.000 2.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.200 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14186E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14179E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14061E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14049E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.500 1.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14003E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13925E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13888E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13807E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13786E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13753E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13693E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13682E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13557E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.000 2.000 2.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.13429E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13347E-02 ppm1 10.115 ppm2 0.595 CV 1 ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13278E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.000 1.100 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13275E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.100 2.100 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13255E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13235E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13211E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13195E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13188E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.500 1.500 1.500 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13155E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.800 1.800 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13121E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13108E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.13103E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.400 1.400 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.700 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.12981E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.12941E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12815E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.200 2.200 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12772E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.12736E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.100 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.300 2.300 1.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.12619E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.400 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 3.900 1.900 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.300 2.300 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12442E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.400 1.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) 4.200 2.200 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.100 2.100 1.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12305E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.200 1.300 1.300 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 2.900 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12214E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12203E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.800 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12172E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12141E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 2.700 3.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.900 1.100 1.100 peak 764 spectrum 1 weight 0.10000E+01 volume 0.11995E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.300 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11928E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.11842E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.11840E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.000 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.100 1.200 1.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.600 1.600 1.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.200 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11793E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) 3.500 1.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.11761E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.11738E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11713E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11587E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.900 1.900 1.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11578E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.500 1.500 1.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11567E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11540E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11430E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.400 2.400 1.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.000 2.000 2.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11207E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.500 2.600 1.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11202E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11135E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.300 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.11115E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11112E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.900 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 4.000 2.000 2.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10958E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.600 2.600 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10913E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.300 1.300 1.300 peak 829 spectrum 1 weight 0.10000E+01 volume 0.10903E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 4.100 2.100 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.000 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.200 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.000 2.000 2.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10759E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10715E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 4.000 2.000 2.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10627E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 3.900 1.900 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.500 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.900 1.900 1.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10408E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10390E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.600 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10368E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.800 2.900 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10363E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10348E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.800 1.800 1.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.100 2.100 1.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.700 2.700 3.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10249E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.200 2.200 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.700 2.700 3.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.500 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10186E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10179E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.400 1.400 1.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.400 2.400 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.300 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10096E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10065E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10057E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.100 2.100 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10041E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10015E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.400 2.500 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10007E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.100 2.100 1.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.99965E-03 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.900 1.900 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.99910E-03 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.99809E-03 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.99508E-03 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.99398E-03 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.98666E-03 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.700 2.700 3.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.98370E-03 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.98129E-03 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.97868E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.97718E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.700 1.700 1.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.97382E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.97362E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.200 2.200 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.97126E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.300 1.300 1.300 peak 929 spectrum 1 weight 0.10000E+01 volume 0.96545E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.96459E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.96429E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 936} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 39 and name HB )) 3.500 1.500 1.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.96058E-03 ppm1 10.779 ppm2 0.593 CV 1 ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.300 2.400 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.95677E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.200 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.95672E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.95597E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.500 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.95045E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.800 1.800 1.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.94488E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.400 2.400 1.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.93877E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 4.000 2.000 2.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.93661E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.93144E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.93034E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.92989E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.100 2.100 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.92889E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.100 2.100 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.92337E-03 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.91886E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.400 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.91750E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.91404E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.91168E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.90893E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.200 1.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.90862E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.90832E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.400 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.90612E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.90451E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.100 2.100 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.89980E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.700 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.89554E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.900 1.900 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.89533E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.88851E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 4.400 2.400 1.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.88576E-03 ppm1 6.765 ppm2 1.329 CV 1 OR { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.88235E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.88199E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.88164E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.88129E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.800 1.800 1.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.87929E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.87783E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.87688E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 4.000 2.000 2.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.87071E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.900 1.900 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.86765E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.900 1.900 1.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.86630E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.400 2.400 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.85943E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.600 1.600 1.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.85878E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.85632E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.400 2.400 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.85617E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.400 2.400 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.85607E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.85416E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.85371E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.85316E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.85185E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.84905E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.84714E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.84463E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.84408E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.000 2.000 2.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.84248E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.84197E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.83786E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.200 2.300 1.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.83736E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.800 1.800 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.83576E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.83566E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.83445E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.200 2.200 1.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.82954E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.82708E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.700 2.800 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.82342E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.82277E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 4.000 2.000 2.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.82026E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.000 2.000 2.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.81986E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.700 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.81871E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.600 1.600 1.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.81434E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.81128E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.81098E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.80847E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.600 2.700 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.80677E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.80542E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.80291E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.80246E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.900 1.900 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.80080E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.400 2.400 1.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.79749E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.79709E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.600 1.600 1.600 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.79604E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.500 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.79488E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1064} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 7.293 ppm2 8.400 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.600 1.600 1.600 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.79067E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.78415E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.200 1.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.77538E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.900 1.900 1.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.77477E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.77362E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.77282E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.000 2.000 2.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.77252E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.77227E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.700 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.77166E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.900 1.900 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.77141E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.500 1.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.77041E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.400 1.400 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.76860E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.200 2.200 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.76424E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 3.700 1.700 1.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.75351E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.75206E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.75155E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1103} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.74498E-03 ppm1 8.925 ppm2 9.242 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.74408E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.300 2.300 1.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.74398E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.74187E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.000 3.100 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.73515E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.73169E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.72828E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.900 3.000 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.72683E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.72573E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.100 2.100 1.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.72492E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.72257E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.72071E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.800 2.900 1.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.71996E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.200 2.200 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.71645E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.71529E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.500 2.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.71419E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.500 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.71214E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.700 1.700 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.71199E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.71113E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.300 2.400 1.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.70988E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.500 2.500 1.500 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.70456E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.70381E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) 2.800 2.800 3.200 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.70251E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.70226E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.000 2.000 2.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.70160E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.400 2.400 1.600 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.69769E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.69719E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.69493E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.800 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.69483E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.400 2.400 1.600 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.69398E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.69293E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.600 2.700 1.400 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.69238E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.69167E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.300 2.300 1.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.69132E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.400 2.400 1.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.68932E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.600 2.700 1.400 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.68786E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.400 2.400 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.68776E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 3.800 3.800 2.200 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.68711E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.200 2.200 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.68691E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.68505E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.500 1.500 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.68495E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.68495E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.600 2.700 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.68425E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 4.000 2.000 2.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.68084E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.68059E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.67959E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.700 2.800 1.300 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.67467E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.67267E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.200 2.300 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.67202E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.400 3.700 0.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.67066E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.66946E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.300 1.400 1.400 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.66805E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.100 2.100 1.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.66484E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.600 1.600 1.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.66469E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.66113E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 4.700 2.700 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.66083E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.65878E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.65762E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.400 2.400 1.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.65747E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.800 1.800 1.800 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.65496E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.500 2.600 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.65456E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 5.300 3.400 0.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.65416E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.65366E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.500 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.65231E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.64960E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.800 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.64679E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.400 2.400 1.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.64664E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.64649E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.300 2.300 1.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.64243E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.000 2.000 2.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.64087E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.400 1.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.64047E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.63862E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.63791E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 3.000 3.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.63716E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.63686E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.400 2.400 1.600 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.63215E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.600 2.600 1.400 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.63109E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.62833E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.200 3.400 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.62723E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.62623E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.62613E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.62593E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.000 3.100 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.62512E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.500 2.500 1.500 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.62467E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.700 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.62432E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.100 2.100 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.62377E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.62362E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.61540E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.200 2.200 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.61540E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.61535E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.800 2.900 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.61499E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.61479E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.500 2.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.61269E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.400 2.500 1.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.61013E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.300 2.300 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.60963E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.60933E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.300 2.300 1.700 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.60807E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.60461E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.60251E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.60221E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.60095E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.600 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.59950E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.200 2.200 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.59940E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.600 2.700 1.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.59724E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.200 2.200 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.59634E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.59609E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 4.000 2.000 2.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.59448E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.59268E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 4.700 2.700 1.300 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.58892E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.58821E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.500 2.500 1.500 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.58676E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.58109E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.300 1.300 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.200 1.200 1.200 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.600 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.700 1.700 1.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.600 1.700 1.700 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) 2.700 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.500 1.500 1.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.500 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.700 1.700 1.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.300 0.700 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 3.000 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.300 1.400 1.400 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.100 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1424} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HN )) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 7.549 ppm2 8.059 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.100 1.200 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.000 1.100 1.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1444} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.000 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.400 ppm2 9.191 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.35489E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) 2.600 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.000 3.000 3.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.300 1.400 1.400 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.800 1.800 1.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.300 1.300 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.200 2.200 3.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.200 1.300 1.300 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.300 1.300 1.300 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.600 1.600 1.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.600 1.600 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1483} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.300 3.300 2.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.878 ppm2 0.784 CV 1 ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.400 1.400 1.400 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 3.000 3.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 3.200 2.800 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.300 1.400 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.300 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.000 1.200 1.200 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.200 2.200 3.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1506} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.827 ppm2 0.599 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.300 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.800 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.300 3.300 2.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.400 3.400 2.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.200 1.300 1.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.900 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 2.200 2.200 3.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.300 3.300 2.700 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.000 2.000 2.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 2.200 2.200 3.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.400 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.400 3.400 2.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.300 3.300 2.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.500 3.500 2.500 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.300 1.300 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.200 3.200 2.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 3.500 1.600 1.600 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.900 2.900 3.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.400 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.300 1.400 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.800 1.800 1.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.400 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 3.100 1.200 1.200 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.400 1.400 1.400 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.600 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.100 1.200 1.200 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.35508E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.300 1.300 1.300 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.900 1.000 1.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 2.200 3.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.200 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.500 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.700 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 3.300 2.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.900 1.000 1.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.35580E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.300 1.400 1.400 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.35562E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.83726E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.83756E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.83791E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.82608E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.82608E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.82608E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.82748E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.83596E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 173} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 38 and name HA )) 1.500 1.500 4.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.23405E-01 ppm1 3.883 ppm2 3.881 CV 1 OR { 173} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 38 and name HA )) ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.22955E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.82748E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.82748E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.82748E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.82778E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.100 2.100 3.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.82833E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16063E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.82894E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13674E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD2 )) 1.800 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13337E-01 ppm1 1.417 ppm2 1.679 CV 1 OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.000 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.82919E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10495E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.100 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.200 2.200 3.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10259E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10045E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.99774E-02 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.99223E-02 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.98149E-02 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.96951E-02 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.83064E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.93992E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.83094E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.91118E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.88831E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) 2.200 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.88395E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.83094E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.87969E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.83210E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.86760E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.500 2.500 3.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.83210E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.85622E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.100 0.600 0.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.84328E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.83681E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.82081E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.83340E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.79945E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.77462E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.83340E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.75627E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.83340E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.72843E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.72588E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.72106E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.72051E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.71444E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.100 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.70647E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 2.000 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.83756E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.83375E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) OR { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.69147E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.68811E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.68591E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.68295E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.67367E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.67121E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 2.500 3.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.83400E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.300 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.66244E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.66128E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.66003E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.65757E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.83400E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.64358E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.64147E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.63109E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.62467E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.62227E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.61921E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.61128E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.61083E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.200 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.60130E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.100 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.900 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.59283E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.58405E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 612} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HB )) 2.300 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.58340E-02 ppm1 1.013 ppm2 1.941 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.58169E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.57658E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.57131E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.100 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.56710E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.56173E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.55311E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 1.800 1.800 4.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.53546E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.53360E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.300 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.53139E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.52989E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.52853E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.52753E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.51123E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.50988E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.50441E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.400 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.50436E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.50346E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.50336E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50150E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.49882E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.400 2.400 3.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.400 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.49280E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.49141E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.83460E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.47903E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.83616E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.300 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.46945E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.46559E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.300 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.46414E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.83726E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.45919E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.45261E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.300 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.45090E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.44863E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.44331E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.400 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.44267E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.44208E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.44189E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.44151E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 781} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 36 and name HD2 )) 2.000 2.000 4.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.44069E-02 ppm1 0.966 ppm2 3.511 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 2.900 2.900 3.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.44007E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.43936E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.900 2.900 3.100 peak 787 spectrum 1 weight 0.10000E+01 volume 0.43811E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 789} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 104 and name HD2%) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.43562E-02 ppm1 1.197 ppm2 0.828 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.43385E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.43382E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.43326E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.43149E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.43102E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.43060E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.42599E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.42491E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.42418E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.41899E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.41588E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.40625E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.40256E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.40245E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.39875E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.39587E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.39364E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.38984E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.38803E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.38717E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.38474E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.38346E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.38088E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.37559E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.600 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.37433E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.300 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.37413E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 2.400 3.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.37083E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 895} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.37046E-02 ppm1 0.800 ppm2 1.561 CV 1 ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.37029E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.36987E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.300 0.600 0.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.36793E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.36285E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.300 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.35991E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.35780E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.35010E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.35009E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.34948E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.300 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.34916E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34610E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.33870E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.33833E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.600 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.33806E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.33755E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.33320E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) 2.800 2.800 3.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.33271E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.100 0.500 0.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.33213E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.33082E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.32861E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.32695E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.600 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.32325E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.32226E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.32183E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.32129E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.32047E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.31488E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.31439E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.31399E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.31362E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.31304E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.30997E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.30936E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.30372E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 2.100 2.100 3.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.30369E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.29998E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 3.100 2.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.29888E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.500 2.500 3.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.29769E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.29733E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.29667E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 1065} (( segid " 1SG" and resid 45 and name HG2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.700 2.700 3.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.29404E-02 ppm1 0.602 ppm2 0.823 CV 1 ASSI { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.29223E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.28859E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.500 0.800 0.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.28611E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.800 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.28556E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.700 0.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.28549E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.28512E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.28281E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.27864E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.27825E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.500 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.27617E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27537E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) 2.600 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.27299E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.26998E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.600 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.26933E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.26803E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.26402E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.26401E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.26396E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.26390E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) 2.200 2.200 3.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.26362E-02 ppm1 1.326 ppm2 0.961 CV 1 OR { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.26335E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26101E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.25567E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.25389E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.25295E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.000 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.25284E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 2.200 3.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25256E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.25217E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) 2.900 2.900 3.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.24660E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.24603E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24226E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.24131E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24053E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.23601E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.23543E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.23506E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) 2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.23479E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.23442E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.23307E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23247E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.23173E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.200 3.200 2.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.22942E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.22814E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.22719E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) 2.600 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.22597E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.600 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.22576E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.22529E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.100 3.100 2.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 0.928 ppm2 0.476 CV 1 OR { 1286} ( segid " 1SG" and resid 8 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) 2.800 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) ASSI { 1295} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.700 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.22265E-02 ppm1 0.828 ppm2 1.193 CV 1 ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22233E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.400 0.700 0.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22211E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.600 0.900 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22133E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22131E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.22065E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.21864E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1323} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.21790E-02 ppm1 2.535 ppm2 4.651 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.900 1.100 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 2.600 3.400 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.21694E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.400 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21528E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.21439E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21380E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.21317E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.700 0.900 0.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21261E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21149E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.20995E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.800 1.000 1.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.20859E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.900 0.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.20815E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.20808E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.20589E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.600 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.20511E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20352E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20268E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.20128E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.20089E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.20007E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.19961E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.900 0.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.19884E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.19688E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.800 2.800 3.200 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.19674E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.19616E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.400 3.400 2.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.19606E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19565E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.19548E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.400 3.400 2.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.19418E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.000 1.100 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.19281E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19209E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19208E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 2.900 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.19005E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.900 0.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.18995E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.700 0.900 0.900 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.18857E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.18851E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.18792E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.18654E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18621E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.18617E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.800 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18585E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.18495E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.700 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.800 1.000 1.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.18310E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.18290E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.200 3.200 2.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.18277E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.300 1.300 1.300 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18181E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.18105E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.600 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18092E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.17968E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 1.400 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.17749E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.100 3.100 2.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.17650E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.17283E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17248E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.300 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17047E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1613} (( segid " 1SG" and resid 6 and name HA )) (( segid " 1SG" and resid 6 and name HG )) 2.800 1.000 1.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.16927E-02 ppm1 4.455 ppm2 1.332 CV 1 ASSI { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.16877E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.500 1.500 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.16873E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.300 3.300 2.700 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.16686E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.300 3.300 2.700 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.16605E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) 2.600 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16469E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16307E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1655} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HG2%) 3.200 3.200 2.800 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 0.793 ppm2 0.557 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.300 2.300 3.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.900 0.900 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16205E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.16072E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) 3.200 1.300 1.300 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16063E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.700 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.16022E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.15871E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 2.900 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.15731E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.15724E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.900 1.100 1.100 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15696E-02 ppm1 4.518 ppm2 4.230 CV 1 OR { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.200 3.200 2.800 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15501E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 3.000 1.100 1.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15476E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.15242E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.15158E-02 ppm1 0.412 ppm2 0.852 CV 1 OR { 1752} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.200 3.200 2.800 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.14948E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.14820E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.200 3.200 2.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.800 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.14695E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.14648E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.000 1.100 1.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.14591E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.000 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.14516E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.300 1.300 1.300 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1830} (( segid " 1SG" and resid 29 and name HA )) ( segid " 1SG" and resid 8 and name HG2%) 2.900 1.100 1.100 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 4.395 ppm2 0.954 CV 1 ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.200 1.200 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 2.900 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14313E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.300 1.300 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14156E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.300 1.300 1.300 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14151E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.800 1.000 1.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.14092E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.13960E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.13935E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.13897E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) 3.500 3.500 2.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.13876E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.13868E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.13865E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1894} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 3.000 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 0.958 ppm2 4.912 CV 1 OR { 1894} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 28 and name HA )) ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.13820E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.13815E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.500 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.13767E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1905} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.900 1.100 1.100 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.13722E-02 ppm1 0.975 ppm2 3.753 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.900 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.13665E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 3.100 2.900 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.13453E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.800 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 2.400 3.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.13203E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 3.200 2.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.13165E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.13122E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.300 1.300 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13106E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.800 1.000 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.600 1.600 1.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.12882E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.12878E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 2003} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 3.100 1.200 1.200 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 0.757 ppm2 1.744 CV 1 ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.100 1.100 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12704E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.12700E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 2.800 3.200 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.12689E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.100 1.100 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.200 1.200 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.000 1.100 1.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.12611E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 3.100 1.200 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.12487E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12472E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 2053} (( segid " 1SG" and resid 27 and name HD2 )) ( segid " 1SG" and resid 8 and name HG1%) 3.100 1.200 1.200 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.12431E-02 ppm1 3.129 ppm2 0.966 CV 1 OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG1%) OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.500 3.500 2.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.900 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.12237E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.12179E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.000 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 2.900 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.11985E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.11918E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.11888E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2138} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 49 and name HB2 )) 3.100 1.200 1.200 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.11788E-02 ppm1 3.867 ppm2 1.568 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.300 1.300 1.300 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.900 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11632E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.500 1.500 1.500 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11555E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) 3.300 3.300 2.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11541E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2188} (( segid " 1SG" and resid 37 and name HD2 )) ( segid " 1SG" and resid 31 and name HB% ) 3.100 3.100 2.900 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.11511E-02 ppm1 2.341 ppm2 1.526 CV 1 ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.000 1.100 1.100 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11399E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 3.000 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.100 1.200 1.200 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11181E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11122E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.900 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11110E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) 3.600 1.600 1.600 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 3.500 2.500 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11036E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.200 3.200 2.800 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.10893E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.10869E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.500 1.600 1.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.000 1.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.10841E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.600 1.600 1.600 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.400 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.900 1.100 1.100 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10657E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10639E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10602E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10542E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.600 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) 3.200 1.300 1.300 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10523E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.100 1.200 1.200 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.10449E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2379} (( segid " 1SG" and resid 13 and name HB2 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.500 2.500 3.500 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 2.629 ppm2 1.972 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.800 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10354E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 2.900 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.10340E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10294E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10283E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) 2.900 1.100 1.100 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10205E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 3.300 1.300 1.300 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10193E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.500 3.500 2.500 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10176E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2436} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 3.100 1.200 1.200 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 4.768 ppm2 2.030 CV 1 ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.100 1.200 1.200 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 3.400 1.500 1.500 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10024E-02 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.98666E-03 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.400 1.400 1.400 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.98014E-03 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.800 1.800 1.800 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.97843E-03 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.800 1.000 1.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.97487E-03 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.96886E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.96620E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.96605E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.300 1.400 1.400 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.95536E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.500 1.500 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.95105E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.94824E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.93566E-03 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 1.200 1.200 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.93551E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.200 1.200 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.91449E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.90717E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.800 1.800 1.800 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.90572E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.800 1.800 1.800 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.89679E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.74544E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.100 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.64218E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.100 2.100 3.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.000 2.000 4.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 66} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 46 and name HZ2 )) 2.100 2.100 3.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.24500E-02 ppm1 7.259 ppm2 7.400 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.18887E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 85} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 46 and name HD1 )) 3.000 3.000 3.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.16293E-02 ppm1 7.117 ppm2 7.129 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13503E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 102} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 102 and name HD% ) 2.900 2.900 3.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13039E-02 ppm1 6.552 ppm2 6.764 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.100 2.100 3.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12081E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66565E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.66565E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 1.800 1.800 4.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.66565E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.66840E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.66835E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.66835E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 8} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HE22)) 1.500 0.300 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.61042E-01 ppm1 7.451 ppm2 6.922 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.32421E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25547E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.700 0.400 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.19158E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.18453E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16501E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14176E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13995E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13680E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13149E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12016E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.200 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11297E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.000 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11122E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10430E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10387E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.100 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10216E-01 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.94930E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.92757E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.87788E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.87235E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.84982E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.200 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.83581E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.83571E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.82908E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.82440E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.81827E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.81303E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.81094E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.80307E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.79280E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.200 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.77795E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.77296E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.77097E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.74784E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.74490E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.73822E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.73433E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.73159E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.000 2.000 4.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.72721E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.72416E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.500 0.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.70886E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.70468E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.69371E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.67726E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.67263E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.66590E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.100 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.65558E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.65045E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.64825E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.64382E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.63111E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.62657E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.61581E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.61491E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.60923E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.200 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.60753E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.59472E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.58934E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.57743E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.56841E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.56557E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.56407E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.56322E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.400 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.55739E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.55291E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.55101E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.54832E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.54782E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.54742E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.54483E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.54264E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.53237E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.53023E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.52714E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.52664E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.52210E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.51951E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.300 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.51787E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.51208E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.50371E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.49992E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.49917E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.200 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.48519E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.000 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.48373E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.48095E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.47840E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.000 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.47789E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.47118E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.400 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.47033E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.45932E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.45397E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.45327E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.45052E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.45044E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.45032E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.44959E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.44140E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.44064E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.43567E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.43253E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.42308E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.40971E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.40481E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) 2.800 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.40347E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.300 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40195E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.40128E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.39999E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.39951E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.39820E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.38979E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.800 0.400 0.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.38805E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.38672E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.600 1.600 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.38416E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.38240E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.38039E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.37769E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.900 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.37093E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.600 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.37055E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.36752E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 3.000 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36726E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.36242E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36234E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.35815E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.35808E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35428E-02 ppm1 9.273 ppm2 0.839 CV 1 OR { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.35254E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.35227E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.35072E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34911E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.34786E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.34700E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.34678E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.34672E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.34598E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.34595E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34440E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34157E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33750E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.33660E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.33440E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33422E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.400 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.33399E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.33395E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.33386E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.32969E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.32952E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.32647E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.600 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32474E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.32450E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.32447E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.32358E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.800 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.31933E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.31885E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31434E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.31191E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.31142E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31061E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.30959E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.700 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.30605E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30449E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.30277E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.30264E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.30264E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.30234E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.30216E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.700 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.30141E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.800 1.800 1.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.30116E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.30105E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 361} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.29761E-02 ppm1 8.256 ppm2 1.312 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.29719E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.600 2.600 3.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.29488E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.600 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.29434E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.29291E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.900 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.29185E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.29147E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.29113E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.29004E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.28874E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28795E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.300 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28635E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.28442E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 3.800 1.800 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28410E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.28381E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 1.400 1.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.28095E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.28066E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28032E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.27992E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.27962E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.27961E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.27870E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.27785E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) 3.400 1.500 1.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.27770E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.27748E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.27622E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 400} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 2.900 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.27578E-02 ppm1 9.270 ppm2 7.060 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27479E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 402} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.27358E-02 ppm1 7.888 ppm2 9.053 CV 1 ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.500 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.27322E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.27309E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27120E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26980E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.26857E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.26391E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.26300E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.26223E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.600 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.26192E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.26082E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.25962E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.25830E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.25746E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25742E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.25728E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25440E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.000 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25409E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.600 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.25337E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 433} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA1 )) 3.500 1.600 1.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.25232E-02 ppm1 9.115 ppm2 3.473 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.25221E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.600 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25159E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25101E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.25048E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.25046E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.700 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.24756E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.24387E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.24375E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.24225E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.23996E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.600 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.23804E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.400 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23668E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.23578E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23528E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23126E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23054E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 2.900 1.100 1.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.22975E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.22953E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22864E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.22827E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.22750E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.22671E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22651E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22613E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22494E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22435E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.22361E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22137E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.100 3.100 2.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.21891E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21842E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21762E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.300 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21556E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21519E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.000 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21486E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.21409E-02 ppm1 8.591 ppm2 0.849 CV 1 OR { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21178E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21027E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.20940E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20811E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.900 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20704E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.300 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.20704E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20631E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20540E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.900 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20474E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.600 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.20312E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.19919E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 2.900 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19703E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.400 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.19547E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.500 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.19457E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19439E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.000 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.900 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19327E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19259E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19176E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.900 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19161E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19039E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18988E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.500 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18920E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.18920E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 3.000 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.18875E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18840E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.18749E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.100 2.100 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18712E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18549E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.400 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18528E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18472E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.18418E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18322E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18293E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18282E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18194E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18192E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17910E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.17890E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.600 1.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17665E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.17650E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.17645E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.900 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17547E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17527E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.200 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17349E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17335E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17311E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 586} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.100 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17293E-02 ppm1 7.890 ppm2 8.886 CV 1 ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17242E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16992E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.600 1.700 1.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.16982E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.400 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16868E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.000 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.300 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.16848E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16711E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16598E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16511E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16495E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.300 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16346E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16268E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16175E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16120E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 619} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 4.200 2.200 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 7.971 ppm2 2.674 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15606E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15601E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15565E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15408E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.100 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15392E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15261E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15217E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15200E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.300 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.15062E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.900 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14835E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14764E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14656E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14594E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.600 1.600 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14555E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.600 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14498E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.100 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.300 2.300 1.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14466E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.600 1.600 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14459E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.200 2.200 1.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14385E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.200 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14360E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14354E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.400 1.400 1.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14221E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14178E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.200 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.500 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14041E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13977E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13955E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13922E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.700 1.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13861E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13832E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.200 2.200 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13656E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 10.115 ppm2 0.595 CV 1 ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 4.000 2.000 2.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13446E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13441E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.700 1.700 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13439E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.900 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13438E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.400 2.400 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13418E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13397E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.600 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.200 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13349E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.700 1.700 1.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13316E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13302E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.000 2.000 2.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13225E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.700 1.700 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13140E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12972E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.400 2.400 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.12885E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.000 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.300 2.300 1.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.12774E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.400 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12767E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12696E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.400 2.400 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12594E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12472E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) 4.200 2.200 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.100 2.100 1.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.200 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12353E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12290E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.800 1.800 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.600 2.600 3.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12177E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12142E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.500 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12141E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.300 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12074E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.500 1.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.300 2.300 1.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.11987E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.11985E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.000 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.100 1.200 1.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.300 1.400 1.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.200 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11938E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.200 1.300 1.300 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11924E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.400 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.11905E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.000 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 782} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 7.440 ppm2 1.105 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11720E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.500 1.600 1.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.700 1.700 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11570E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11503E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.300 2.300 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 5.400 3.700 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11284E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.200 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11249E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.300 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.300 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.200 1.300 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11220E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.900 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.900 1.900 1.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.500 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.600 2.600 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.400 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.400 2.400 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.300 2.300 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.200 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.10970E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10913E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.300 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.200 2.200 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10891E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 841} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HN )) 4.300 2.300 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 7.875 ppm2 8.104 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10847E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.900 1.900 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.200 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10665E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10661E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10654E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10571E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.400 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 2.700 3.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.500 1.500 1.500 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.900 3.000 1.100 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.500 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10475E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.900 1.000 1.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10416E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10407E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.700 2.700 3.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10381E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10375E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.400 2.400 1.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10349E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.700 2.700 3.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10320E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.500 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10303E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.500 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10243E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.300 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10188E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.200 2.200 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10180E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.900 1.900 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.300 2.300 1.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10130E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.900 3.000 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10114E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.99875E-03 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.700 2.700 3.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.99576E-03 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.99332E-03 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.99072E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.98913E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.900 1.900 1.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.98574E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.98554E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.200 2.200 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.98315E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.500 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.97732E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.300 1.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.97642E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.500 1.500 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.97612E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.300 2.300 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.96849E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 3.000 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.96844E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.96765E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.500 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.96211E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.95648E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.200 2.200 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.95025E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.94811E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.94282E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.94178E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.94133E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.100 2.100 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.94028E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.93011E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.92877E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.92523E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.92284E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.92005E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.500 2.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.91980E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.500 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.91945E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.91721E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.91561E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.100 2.100 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.91083E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.90649E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 4.000 2.000 2.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.90629E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.89941E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.89313E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.89283E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.300 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.89248E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.89208E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.89009E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.88860E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.88765E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.800 1.800 1.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.88142E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.900 1.900 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.87828E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.87693E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.86995E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.86931E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.400 2.400 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.86681E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.500 2.600 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.86667E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.400 2.400 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.86657E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.86467E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.86417E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.86362E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.300 2.300 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.86233E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.700 1.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.85944E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.85754E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.85500E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.85445E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.85281E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.84817E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.200 2.200 1.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.84763E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.600 1.700 1.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.84598E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.500 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.84593E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.84468E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.000 2.000 2.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.83970E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.83721E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.600 2.700 1.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.83352E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.83282E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.83033E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.82993E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.82873E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.500 1.500 1.500 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.82430E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.82121E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.82096E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.700 1.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.81842E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.700 2.800 1.300 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.81667E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.81533E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.81274E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 4.100 2.100 1.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.81229E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.700 1.700 1.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.81059E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.80725E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.80685E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.80576E-03 ppm1 8.213 ppm2 0.596 CV 1 ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.600 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.80466E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.800 1.900 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.80037E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.79380E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1073} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.78976E-03 ppm1 9.828 ppm2 8.006 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.200 1.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.78487E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 4.000 2.000 2.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.78428E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.78308E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.78233E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.000 2.000 2.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.78198E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.78173E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.700 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.78114E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.000 2.000 2.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.78089E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.400 1.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.77799E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.300 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.77361E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 4.000 2.000 2.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.76274E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.76125E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.76080E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1103} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.75412E-03 ppm1 8.925 ppm2 9.242 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.75322E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.400 2.400 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.75312E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1107} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 59 and name HB2 )) 4.800 2.800 1.200 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.75297E-03 ppm1 10.780 ppm2 1.690 CV 1 OR { 1107} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.500 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.75098E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 4.900 3.000 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.74415E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.74066E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.73722E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.900 2.900 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.73573E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.600 1.600 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.73463E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.73383E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.73144E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.72955E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.000 3.100 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.72880E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.72526E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.72407E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.600 2.700 1.400 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.72297E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.72088E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.72073E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.71983E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.400 2.400 1.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.71858E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.600 2.600 1.400 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.71320E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.71245E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) 3.100 3.100 2.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.71111E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.71086E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.100 2.100 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.71021E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.600 2.600 1.400 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.70622E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.70572E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.70343E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.700 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.70338E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.500 2.600 1.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.70253E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.70144E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.900 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.70084E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.70019E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.500 2.500 1.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.69979E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.500 2.500 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.69775E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.800 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.69630E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.100 2.100 1.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.69620E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 4.100 2.100 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.69551E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.100 2.100 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.69536E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.69346E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.700 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.600 2.600 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.69261E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.68918E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.68893E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.800 1.800 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.68883E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.400 2.500 1.600 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.68788E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 4.700 2.800 1.300 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.68294E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.400 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.68090E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.200 2.200 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.68025E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.200 3.400 0.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.67886E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.000 2.000 2.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.67766E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.67622E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.67298E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.500 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.67283E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.100 2.100 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.66924E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 4.700 2.800 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.66894E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.66690E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.66570E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.700 1.700 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.66301E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.500 2.500 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.66261E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 5.200 3.300 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.66221E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.66166E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.66027E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.800 1.800 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.65757E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.65468E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.65458E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 5.000 3.200 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.65443E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.600 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.65030E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.200 2.200 1.800 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.64870E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.900 2.900 3.100 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.64835E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.200 2.200 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.64646E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.64571E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1248} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HN )) 4.400 2.400 1.600 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.64531E-03 ppm1 9.499 ppm2 8.406 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.64496E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.64467E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.400 2.400 1.600 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.63988E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.600 2.600 1.400 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.63883E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.400 1.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.63604E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.300 3.500 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.63490E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.63390E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.63380E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.800 2.900 1.200 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.63360E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.200 3.400 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.63280E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 5.000 3.100 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.63235E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.600 2.600 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.63201E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.000 2.000 2.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.63141E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.63126E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.62293E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.200 2.200 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.62293E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.62288E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.900 3.000 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.62254E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.600 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.62234E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.500 2.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.62024E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1293} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 3.600 1.600 1.600 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.61974E-03 ppm1 7.469 ppm2 2.694 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 3.800 1.800 1.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.61770E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.300 2.400 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.61710E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.500 2.500 1.500 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.61680E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.200 2.200 1.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.61551E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.300 2.300 1.700 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.61202E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.61002E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.60988E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.300 2.400 1.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.60958E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.60833E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.700 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.60684E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.100 2.100 1.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.60674E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.700 2.800 1.300 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.60454E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.60365E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.100 2.100 1.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.60340E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 4.000 2.000 2.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.60180E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.700 1.700 1.700 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.59996E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 4.600 2.700 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.59617E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.59398E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.58819E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.300 1.300 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.200 1.300 1.300 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 2.600 0.800 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.141 ppm2 3.855 CV 1 OR { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.800 1.800 1.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) 3.200 1.300 1.300 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.500 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.300 1.300 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.500 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.600 1.600 1.600 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.200 1.300 1.300 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1382} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.792 ppm2 9.235 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.35905E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.200 0.600 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1424} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HN )) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 7.549 ppm2 8.059 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.100 1.200 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.35924E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.300 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.500 0.800 0.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.000 3.000 3.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 1.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.300 3.300 2.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.200 2.200 3.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.200 1.300 1.300 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.400 1.400 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.300 1.400 1.400 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.400 3.400 2.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.600 1.600 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.500 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.900 2.900 3.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.400 1.500 1.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.300 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.300 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.35943E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.300 1.300 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.200 2.200 3.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1506} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.827 ppm2 0.599 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.300 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 3.000 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.500 3.500 2.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.400 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.900 1.900 1.900 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 3.400 2.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.900 1.900 1.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 2.200 2.200 3.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.300 3.300 2.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1551} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.300 1.400 1.400 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.495 ppm2 0.760 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.600 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.500 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.926 ppm2 0.405 CV 1 OR { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.000 1.200 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.900 2.900 3.100 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.500 1.600 1.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.100 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.900 2.900 3.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.400 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.300 3.300 2.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.900 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1586} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 104 and name HD1%) 3.400 1.400 1.400 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.914 ppm2 0.954 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.300 1.300 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.800 0.800 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.300 3.300 2.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.000 1.100 1.100 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.200 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 2.200 3.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.800 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.100 3.100 2.900 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.900 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.36016E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.400 1.500 1.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.35998E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.84598E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.84623E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.84663E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.83467E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.83467E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.83467E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.400 2.400 3.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.83606E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.83606E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.400 0.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.84463E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.23194E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.83606E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.83606E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.83606E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.83636E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.100 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.83696E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16230E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.83751E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13815E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD1 )) 1.900 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13476E-01 ppm1 1.417 ppm2 1.679 CV 1 OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.000 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.83781E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11643E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10604E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.100 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.200 2.200 3.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) 2.100 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10366E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10149E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10081E-01 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10025E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 357} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD1%) 2.000 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.341 ppm2 0.980 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.99167E-02 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.100 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.97956E-02 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.94970E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.83955E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.92064E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.89757E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) 2.200 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.89313E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.83955E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.84075E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.87658E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.84075E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.500 2.500 3.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.84075E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.86512E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.100 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.85201E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.84548E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.82933E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.84209E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.80775E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.78268E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.84209E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.76414E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.84209E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.73598E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.73339E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.72855E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.72800E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.72187E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.71380E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 2.000 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.84623E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.84244E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.200 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.69865E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.69526E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.69301E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.69002E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.68065E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.67821E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.84269E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 528} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.100 0.600 0.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.84269E-02 ppm1 0.849 ppm2 1.542 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 2.300 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.66934E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.66814E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.66690E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.66445E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.84269E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.800 1.000 1.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.65025E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.64810E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.63764E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63116E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.62872E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.62563E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.61765E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.61715E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.60753E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.000 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 2.000 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.59901E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.59014E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.58770E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.58261E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.57723E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.100 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.57299E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.56756E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.55889E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 1.800 1.800 4.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.54099E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.53915E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.53691E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.53541E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.53401E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.53302E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.52554E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.400 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.51652E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.51517E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.50964E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.50964E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.50869E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.50860E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50675E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) 2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.50401E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.300 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.49792E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.49652E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.84329E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD1%) 2.900 2.900 3.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.48402E-02 ppm1 0.712 ppm2 0.620 CV 1 OR { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.48401E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.200 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.84483E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.300 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.47432E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.47042E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.300 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.46897E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.84598E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.46396E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.45731E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.300 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.45558E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.45328E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.44792E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.400 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.44727E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.44648E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.44610E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 781} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 36 and name HD2 )) 2.000 2.000 4.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.44526E-02 ppm1 0.966 ppm2 3.511 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 2.800 2.800 3.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.44465E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.44392E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.44266E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.43836E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.43833E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.43776E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.43597E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.43550E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.43507E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.500 0.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.43236E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.43042E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.42933E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.42858E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.42334E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42020E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.41046E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.40674E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.40663E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.500 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.40289E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.39998E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.39773E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.39389E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.39206E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.39119E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.38874E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.38745E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.38484E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.37949E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.37822E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.300 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.37801E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 2.500 3.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.37469E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.37413E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.37371E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.300 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.37175E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.36662E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.36365E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36152E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.35374E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.35373E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.35312E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.35279E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34970E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.34497E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 947} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG1%) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.34290E-02 ppm1 1.819 ppm2 0.980 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.34222E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.34185E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.34157E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34105E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.33666E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) 2.800 2.800 3.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.33616E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.33558E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.33426E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33202E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33034E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.32661E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.32561E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.32517E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.32485E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.32463E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.32380E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.31816E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.31766E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.200 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.31725E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.31688E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.31629E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31319E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.31258E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.31207E-02 ppm1 4.150 ppm2 0.966 CV 1 OR { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB1 )) 2.800 2.800 3.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.30976E-02 ppm1 0.825 ppm2 1.940 CV 1 OR { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.30687E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.100 3.100 2.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.30685E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1045} (( segid " 1SG" and resid 48 and name HB2 )) (( segid " 1SG" and resid 47 and name HB )) 2.800 2.800 3.200 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.30362E-02 ppm1 2.947 ppm2 2.479 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.30310E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 3.200 2.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.30199E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.500 2.500 3.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.30078E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.600 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.29975E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1065} (( segid " 1SG" and resid 45 and name HG2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.29709E-02 ppm1 0.602 ppm2 0.823 CV 1 ASSI { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.29526E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.29158E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.28970E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.28909E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.400 2.400 3.600 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.28853E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.28845E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.600 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.28575E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28491E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.28401E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.28154E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.28115E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.27904E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27823E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27760E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.27583E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.27278E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) 2.400 0.700 0.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.27213E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27082E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.26676E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.26675E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.26670E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.26664E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) 2.200 2.200 3.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.26635E-02 ppm1 1.326 ppm2 0.961 CV 1 OR { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.600 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.26609E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26373E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.25832E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.25653E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.25558E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.25546E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 2.200 3.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.500 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.25479E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) 3.100 3.100 2.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.24917E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.24859E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24478E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.24382E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24302E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.24200E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.23890E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.400 0.700 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.23787E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.23750E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) 2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.23723E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.23686E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.23549E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23488E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1255} (( segid " 1SG" and resid 45 and name HB2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.800 2.800 3.200 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.23481E-02 ppm1 0.615 ppm2 0.827 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.23414E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.300 3.300 2.700 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.23180E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23051E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.22955E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) 2.500 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.22832E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.700 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.22810E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.100 3.100 2.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.22757E-02 ppm1 0.928 ppm2 0.476 CV 1 OR { 1286} ( segid " 1SG" and resid 8 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) 2.900 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.22609E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22464E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22442E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.600 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22363E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22360E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.800 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.22295E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.22091E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.900 1.100 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.200 2.200 3.800 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.21919E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21752E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.21662E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 1.000 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21602E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.21539E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21369E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21357E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.21213E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.800 1.000 1.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.21076E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.21031E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.21025E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.20803E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.20786E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.500 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.20724E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20564E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20479E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.20399E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.20358E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.20337E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.800 1.000 1.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.20297E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.20215E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.900 0.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.20090E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.19893E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.19878E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.19820E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.400 1.500 1.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.19810E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.700 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19768E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.19751E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.400 3.400 2.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.19620E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.000 1.100 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.19481E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.300 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19408E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.600 0.800 0.800 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19408E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 2.900 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.19299E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.19203E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.900 0.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.19052E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.19046E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.18988E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1488} (( segid " 1SG" and resid 45 and name HG2 )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 3.000 3.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.18879E-02 ppm1 0.602 ppm2 0.994 CV 1 ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.18848E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18815E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18778E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.18688E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.700 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18586E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.18500E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.18480E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.300 3.300 2.700 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.18467E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) 3.200 1.300 1.300 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.18293E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.600 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 1.500 1.500 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.17965E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.17933E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.100 3.100 2.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.17834E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1572} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 18 and name HA )) 2.800 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.17620E-02 ppm1 1.195 ppm2 3.508 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.17463E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17427E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.600 1.600 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.17282E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17224E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17052E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17048E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 1.400 1.400 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.16860E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 3.500 2.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1635} (( segid " 1SG" and resid 38 and name HB )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.16740E-02 ppm1 1.900 ppm2 3.912 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) 2.600 2.600 3.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.16738E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16684E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16640E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.900 1.000 1.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16477E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.300 2.300 3.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16392E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16373E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.16239E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) 3.100 1.200 1.200 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16230E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.700 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16036E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 3.100 1.200 1.200 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.15948E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.15894E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.900 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 4.518 ppm2 4.230 CV 1 OR { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.300 3.300 2.700 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15662E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.400 2.400 3.600 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15637E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.15400E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.000 1.100 1.100 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.15315E-02 ppm1 0.412 ppm2 0.852 CV 1 OR { 1752} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.400 3.400 2.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15202E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.14974E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.400 3.400 2.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.14800E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.14743E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14726E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.14666E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.400 1.500 1.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14625E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.100 1.200 1.200 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14574E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14462E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14453E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14304E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.400 1.500 1.500 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14298E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 2.800 1.000 1.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14080E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) 3.500 3.500 2.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14026E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14019E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14012E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14009E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.13958E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.600 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.13910E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.600 0.900 0.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.13807E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 3.400 2.600 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.13593E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13534E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 2.400 3.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13411E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13379E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1963} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 3.300 1.300 1.300 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.13317E-02 ppm1 1.045 ppm2 4.982 CV 1 ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 3.200 2.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.13303E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.13259E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.300 1.300 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.13195E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13075E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.900 1.900 1.900 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13012E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.12896E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12836E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.400 2.400 3.600 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.100 1.100 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12760E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 3.100 1.200 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12602E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 3.400 2.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12426E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12318E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.12305E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12011E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.400 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11832E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11727E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.600 3.600 2.400 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.200 1.300 1.300 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11675E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.300 3.300 2.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.400 1.400 1.400 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11561E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.000 1.100 1.100 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11407E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 2.900 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.300 1.400 1.400 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.11312E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11297E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11287E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 3.600 1.600 1.600 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11179E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.600 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11151E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.600 1.700 1.700 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.700 1.700 1.700 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.10897E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.400 1.500 1.500 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.900 1.100 1.100 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10750E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10712E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) 3.200 1.200 1.200 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.200 1.200 1.200 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.10558E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2379} (( segid " 1SG" and resid 13 and name HB2 )) (( segid " 1SG" and resid 12 and name HB2 )) 3.500 3.500 2.500 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 2.629 ppm2 1.972 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.500 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 3.000 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.10447E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.200 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10390E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.800 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 3.300 1.400 1.400 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.200 1.300 1.300 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10183E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.99690E-03 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.600 1.700 1.700 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.99028E-03 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.98858E-03 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.800 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.98499E-03 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.100 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.97891E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.97622E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.97607E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.500 1.600 1.600 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.96530E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.800 1.800 1.800 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.96097E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.95808E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.94537E-03 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.300 1.400 1.400 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.94522E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.92398E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.500 1.500 1.500 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.91656E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.500 1.500 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.91511E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.700 1.700 1.700 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.90614E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.73947E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.63709E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.67198E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.100 2.100 3.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.67198E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33003E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.400 2.400 3.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.67198E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.18736E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15828E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 102} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 102 and name HD% ) 2.900 2.900 3.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.12936E-02 ppm1 6.552 ppm2 6.764 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.000 2.000 4.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.67198E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.11985E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.67198E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.67198E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 2.500 2.500 3.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66037E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 186} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 47 and name HG2%) 2.100 2.100 3.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.66037E-02 ppm1 7.088 ppm2 0.769 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.66037E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 1.700 1.700 4.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.66037E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.000 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.66306E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.66301E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.66301E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.300 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.67085E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.32870E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25901E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.18709E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 45} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HE21)) 1.800 0.400 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.18049E-01 ppm1 6.645 ppm2 6.985 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16729E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.100 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.14632E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14372E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14189E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13869E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13331E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12182E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.100 2.100 3.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11453E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.000 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11276E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10574E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10531E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10357E-01 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.96245E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.94043E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.200 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.89003E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.500 0.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.88441E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.86158E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.84738E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.84727E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.100 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.84055E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.83580E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.82960E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.82427E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.82212E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 2.300 3.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.81419E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.80376E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.78875E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.78365E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.78163E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 139} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.76569E-02 ppm1 8.005 ppm2 1.919 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.300 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.75822E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.75521E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.400 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.74843E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.200 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.74449E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.74171E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.000 2.000 4.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.73725E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.73418E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.71865E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.71442E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.70329E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.68661E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.68197E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.67508E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.200 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.66465E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.65949E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.65724E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.65272E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.63985E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.63522E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.200 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.62433E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.62346E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.61766E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.61593E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.60295E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.59750E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.58545E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.57627E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.57341E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.57186E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.57102E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.400 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.56512E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.56058E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.55863E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.55592E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.55542E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.55498E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.55235E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.55015E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.53973E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.53757E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.53443E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.53395E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.52934E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.52746E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.500 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.52671E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.52505E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.400 0.700 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.51917E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.51070E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.50686E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.50610E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.49191E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.49042E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.48761E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.48502E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.47771E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.47684E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.46567E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.45955E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.45676E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.45667E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.45656E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.600 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.45581E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.44751E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.44674E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.44169E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.43851E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.42894E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.41538E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.41042E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 2.800 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.40906E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40752E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.300 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.40684E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 2.600 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.40552E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.40504E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.40372E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.39519E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 1.800 0.400 0.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.39342E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.39208E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 3.400 2.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.38948E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.38770E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.38661E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.38566E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 284} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) 2.900 2.900 3.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.38392E-02 ppm1 8.312 ppm2 2.938 CV 1 OR { 284} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.38292E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.37607E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.37567E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37260E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 3.000 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.37234E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.36743E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36735E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.36311E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.36303E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 2.900 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35919E-02 ppm1 9.273 ppm2 0.839 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.400 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.35742E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.35714E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.35558E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.35394E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.35268E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.35180E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.35158E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.800 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.35151E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.35077E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.35074E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34916E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34629E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.34217E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.34126E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.33903E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33884E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.33861E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.33857E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.33848E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.33425E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.33408E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 325} (( segid " 1SG" and resid 4 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.500 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.33275E-02 ppm1 8.264 ppm2 0.922 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.33099E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.500 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32923E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.32899E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.32896E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.300 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.32806E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.800 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.32375E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.32327E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.31930E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31869E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.31622E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.31573E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31491E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.31387E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.31249E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.31029E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.600 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.30871E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.30696E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 3.400 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.30683E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.500 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.30683E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.30652E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.30635E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.600 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.30558E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.700 1.700 1.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.30533E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.30522E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.30130E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.500 2.500 3.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.29896E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.600 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.29841E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.29696E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.900 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.29668E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.29589E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.29550E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.29515E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.29274E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.29193E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.400 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.29103E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.29032E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.28836E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 4.100 2.100 1.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28804E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.28774E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.28484E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.28455E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.28420E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.28379E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.28256E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28169E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.28132E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.28004E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27859E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.27687E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.27354E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27228E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.26756E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.300 1.400 1.400 peak 413 spectrum 1 weight 0.10000E+01 volume 0.26664E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.26658E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.26586E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.26555E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) 3.700 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.26442E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.26321E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.26188E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.26102E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.26098E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.26084E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25792E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.25687E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.25570E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25507E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25448E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.25395E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.25099E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.24724E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24714E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.24712E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.24559E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.24328E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24283E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.24134E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23996E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.23904E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.400 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23854E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23446E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23373E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23292E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.23270E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.23143E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22926E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22805E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.22671E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22443E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.100 3.100 2.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.22143E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.22142E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.22063E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.800 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21945E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21854E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.21816E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21784E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21552E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21471E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.300 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21318E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.21230E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.21196E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.21099E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.900 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.20990E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20917E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20825E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20758E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.20594E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.20195E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.20113E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19975E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19836E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.19817E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.700 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19708E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19615E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.19594E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.900 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.19457E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19441E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.19426E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.19317E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19303E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19250E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.400 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.19182E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.19182E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19137E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.19100E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.800 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.19008E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.100 2.100 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18971E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18806E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.400 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18784E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18727E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.18673E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18576E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18546E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18445E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18444E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.18158E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.600 1.600 1.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17909E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.300 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.17889E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.900 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17795E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17770E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.100 1.200 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17591E-02 ppm1 8.151 ppm2 4.228 CV 1 ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17588E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17550E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17480E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17227E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17217E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.400 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.17101E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.300 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16740E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16724E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.300 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16573E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16493E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.000 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16420E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16343E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15817E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.700 1.700 1.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.15605E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15428E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15410E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) 3.300 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.15270E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15102E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.15072E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.400 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.15028E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14968E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14796E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.400 1.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14757E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 655} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HG )) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 8.878 ppm2 1.313 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.700 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14699E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14689E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14666E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.600 1.600 1.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.14628E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.000 2.000 2.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14559E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.700 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14552E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14551E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.200 1.300 1.300 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.200 1.300 1.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14418E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14374E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14371E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.14253E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14235E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.14148E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.14083E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.14070E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14041E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.800 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14023E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.200 2.200 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13846E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.13782E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13697E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 4.100 2.100 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.13663E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13632E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13627E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13624E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.300 2.300 1.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13604E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13558E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.400 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13534E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.700 1.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13501E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13452E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.13447E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.200 2.200 1.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13442E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.800 1.800 1.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13322E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.13281E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.13152E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.400 2.400 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.13108E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13070E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.13063E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.700 1.700 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.12951E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.300 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12944E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12926E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12872E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.100 2.100 1.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12769E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.300 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12645E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) 4.200 2.200 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12638E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.700 2.700 3.300 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.200 1.300 1.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12524E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.800 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12492E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12460E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.900 1.900 1.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12429E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 2.700 3.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.12346E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 763} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.12334E-02 ppm1 8.177 ppm2 8.689 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.500 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12309E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.12241E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12159E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.100 1.200 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.400 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12119E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.700 1.700 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.000 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.12020E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11892E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11871E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.300 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.700 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11730E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 4.100 2.100 1.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11575E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.600 2.600 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.900 1.900 1.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.11428E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.200 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.11407E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.400 1.400 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11404E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.11393E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.200 1.300 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11375E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11354E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.11249E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11246E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 4.600 2.600 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 827} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HN )) 3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 8.888 ppm2 7.891 CV 1 ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.100 2.100 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.300 1.300 1.300 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11189E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.300 2.300 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11159E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.300 2.300 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11159E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11150E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.000 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11122E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 834} (( segid " 1SG" and resid 5 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.100 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.11115E-02 ppm1 8.145 ppm2 0.907 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.300 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.11051E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.200 2.200 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 841} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HN )) 4.300 2.300 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.11005E-02 ppm1 7.875 ppm2 8.104 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.900 1.900 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10984E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.700 1.700 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10936E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10906E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10812E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10809E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.200 2.200 1.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10717E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.400 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10693E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.800 2.800 3.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.600 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 5.000 3.100 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10635E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10620E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.600 1.600 1.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.300 2.300 1.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10551E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.800 2.800 3.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.900 1.900 1.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10492E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.800 2.800 3.200 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.900 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.10385E-02 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.700 2.700 1.300 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10330E-02 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.000 2.000 2.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10321E-02 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 4.000 2.000 2.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10305E-02 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.200 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.400 2.400 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10270E-02 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.100 2.100 1.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.800 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10253E-02 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10243E-02 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.400 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.500 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.10126E-02 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.800 2.800 3.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.10095E-02 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 4.000 2.000 2.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.10044E-02 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.600 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.99941E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.99918E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.300 2.300 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.99674E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.99084E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.300 1.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.98991E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.98968E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.000 3.100 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.98191E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.98186E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.98104E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.200 1.300 1.300 peak 943 spectrum 1 weight 0.10000E+01 volume 0.97542E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.600 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.96969E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.400 2.500 1.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.96343E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.96123E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.800 1.800 1.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.95590E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.95480E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.95434E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.200 2.200 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.95329E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.94304E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.300 1.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.94165E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.93805E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.93562E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.600 1.600 1.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.93278E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.200 1.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.93249E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.400 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.92994E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.100 2.100 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.92826E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.100 2.100 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.92345E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.91905E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 4.000 2.000 2.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.91882E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.91187E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.90549E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.90515E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.300 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.90480E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.100 2.100 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.90445E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.90237E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.90086E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.89362E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 3.900 1.900 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.89043E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.88904E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.400 2.400 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.88203E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.800 1.800 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.88133E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.87879E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 4.400 2.400 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.87867E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.300 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.87664E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.87612E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.87560E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.300 2.400 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.87427E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.87131E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.600 1.600 1.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.86940E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.86679E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.300 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.86627E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.86459E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.86407E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.800 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.85990E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.200 2.200 1.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.85938E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.700 1.700 1.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.85770E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.400 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.85764E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.85636E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 3.700 1.700 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.85132E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.84877E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.600 2.700 1.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.84507E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.84437E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 4.000 2.000 2.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.84182E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.000 2.000 2.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.84142E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.84020E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.800 1.800 1.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.83574E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.83261E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.83232E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.82971E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.800 2.900 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.82798E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.82658E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.000 2.000 2.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.82398E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 3.900 1.900 1.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.82357E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.700 1.700 1.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.82183E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.81842E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.81801E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.81691E-03 ppm1 8.213 ppm2 0.596 CV 1 ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.600 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.81581E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.81141E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.700 1.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.80474E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1073} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.80069E-03 ppm1 9.828 ppm2 8.006 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.100 2.100 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.79576E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.79512E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.79391E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.79315E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.79281E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.79258E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 3.900 1.900 1.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.79194E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.000 2.000 2.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.79165E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.500 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.79066E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.300 1.400 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.78875E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.400 2.400 1.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.78435E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.700 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 3.800 1.800 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.77328E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.77183E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.77131E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.200 2.200 1.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.76367E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.500 2.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.76355E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.76141E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 5.000 3.200 1.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.75445E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.75092E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.74744E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.800 2.900 1.200 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.74594E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.74484E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.74397E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.74159E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.73968E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.300 3.500 0.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.73528E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.73412E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.500 2.600 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.73296E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.300 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.73081E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.73070E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.72977E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.400 2.400 1.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.72856E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.500 2.600 1.500 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.72305E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.000 2.000 2.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.72230E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) 2.700 2.700 3.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.72097E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 3.000 3.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.72068E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.100 2.100 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.72004E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.500 2.500 1.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.71598E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.71552E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.71314E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.700 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.71309E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.500 2.500 1.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.71222E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.71112E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.900 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.71054E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.70984E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.300 2.300 1.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.70944E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.500 2.600 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.70741E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.800 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.70596E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.100 2.100 1.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.70584E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 4.200 2.200 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.70515E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.100 2.100 1.900 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.70498E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.300 2.300 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.70306E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.700 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.70295E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.70295E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 4.600 2.700 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.70219E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.69872E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.69849E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.700 1.700 1.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.69837E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.500 2.600 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.700 2.700 1.300 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.69240E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.400 2.400 1.600 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.69032E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1198} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 76 and name HN )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.68997E-03 ppm1 9.238 ppm2 8.919 CV 1 ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.400 2.400 1.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.68968E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.300 3.500 0.700 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.68829E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.68701E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.300 1.300 1.300 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.68557E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.68232E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.500 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.68215E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.100 2.100 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.67850E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 4.700 2.700 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.67815E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.67612E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.700 1.700 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.67491E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.67473E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 4.000 2.000 2.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.67218E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) 5.000 3.100 1.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.67137E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.67085E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.66940E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.800 1.800 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.66378E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.400 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.66361E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.100 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.66349E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.400 1.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.65932E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.300 2.400 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.65770E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.000 3.000 3.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.65729E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.65538E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.65469E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 3.000 3.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.65393E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.65359E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.400 2.400 1.600 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.64878E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.700 2.700 1.300 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.64768E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.200 2.300 1.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.64484E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.200 3.400 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.64368E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.64269E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.64258E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.500 2.500 1.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.64235E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.200 3.300 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.64153E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.700 2.800 1.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.64107E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.600 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.64072E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.100 2.100 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.64014E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.64003E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.63157E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.200 2.200 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.63157E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.63151E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.900 3.000 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.63116E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.63093E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.500 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.62879E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 3.800 1.800 1.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.62618E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.500 2.600 1.500 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.62566E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1299} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.600 2.600 1.400 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.62549E-03 ppm1 8.875 ppm2 0.650 CV 1 ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.62531E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.900 1.900 1.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.62404E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.400 2.400 1.600 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.62050E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.61848E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.61836E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.300 2.400 1.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.61801E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.300 2.300 1.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.61674E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.600 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.61523E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.200 2.200 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.61512E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.700 2.800 1.300 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.61291E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.61199E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.61175E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.900 1.900 1.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.61013E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.60822E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 4.600 2.700 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.60440E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.60364E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.60220E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.400 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.59634E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.400 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.200 1.200 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.400 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.600 0.900 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1362} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HN )) 3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.059 ppm2 7.543 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.900 1.900 1.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) 3.200 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) 3.600 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.600 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.400 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1382} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.792 ppm2 9.235 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.800 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.800 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.800 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.400 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.400 0.700 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.400 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.500 1.500 1.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.200 1.300 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.200 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.800 0.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.100 3.100 2.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.000 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.000 3.000 3.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.200 3.200 2.800 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.100 1.100 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.400 1.400 1.400 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.200 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.300 2.300 3.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.400 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.400 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.200 1.300 1.300 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.400 1.400 1.400 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.400 3.400 2.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.700 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.500 1.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.200 1.200 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.400 1.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 3.000 3.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.500 1.600 1.600 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.300 1.400 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.100 1.200 1.200 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.300 2.300 3.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 1.500 1.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.500 3.500 2.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.400 1.400 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.700 3.700 2.300 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 3.400 2.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.900 1.900 1.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 3.000 3.000 3.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.400 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.400 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.300 3.300 2.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.700 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.600 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.600 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.926 ppm2 0.405 CV 1 OR { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 3.000 3.000 3.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1568} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 3.000 3.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.469 ppm2 2.408 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.300 1.400 1.400 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.100 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.900 2.900 3.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.300 3.300 2.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.300 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 2.600 3.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.400 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.36441E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.900 1.000 1.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.200 1.300 1.300 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.000 1.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 2.900 1.100 1.100 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 2.300 3.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.200 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.600 1.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.900 1.000 1.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.200 3.200 2.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.400 1.400 1.400 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.86083E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.000 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.86111E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.86152E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.84935E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.84935E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.400 2.400 3.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.84935E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.85080E-02 ppm1 4.624 ppm2 2.693 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.85080E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 1.900 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.85949E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 2.100 3.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.23602E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.85080E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.85080E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) 2.100 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.85080E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 194} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.85109E-02 ppm1 4.298 ppm2 0.929 CV 1 ASSI { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.100 2.100 3.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.85167E-02 ppm1 4.795 ppm2 3.074 CV 1 OR { 226} (( segid " 1SG" and resid 17 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16515E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.85225E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14058E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD2 )) 1.800 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13713E-01 ppm1 1.417 ppm2 1.679 CV 1 OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 287} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 287} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.85254E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11848E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) 2.400 2.400 3.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10790E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.200 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.300 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10548E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10328E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10258E-01 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10202E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 357} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD1%) 2.000 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.341 ppm2 0.980 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10091E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.000 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.99680E-02 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 367} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 6 and name HD1%) 2.100 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.99037E-02 ppm1 0.815 ppm2 0.666 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.85405E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.96639E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.85434E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.93684E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.91337E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) 2.300 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.90885E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.85434E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.90445E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.85549E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.89200E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.500 2.500 3.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.85549E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.500 2.500 3.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.85549E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.88035E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.100 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.86702E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.86036E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.84391E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.85689E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.82195E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.79646E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.85689E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.77757E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.85689E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.74895E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.74628E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.74136E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.500 0.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.74078E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.73458E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.72635E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 1.900 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.86111E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.85723E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.200 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.71094E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.70752E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.70521E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.70219E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.69263E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.69014E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.700 2.700 3.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.85752E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 2.300 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.68111E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.67989E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.67861E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.67612E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.85752E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.66170E-02 ppm1 0.824 ppm2 0.604 CV 1 OR { 557} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.65949E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.64883E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.64229E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.63980E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.63661E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.62850E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.62804E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.61824E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.100 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 0.676 ppm2 0.417 CV 1 OR { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 1.900 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.60955E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.60052E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 612} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HB )) 2.300 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.59982E-02 ppm1 1.013 ppm2 1.941 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.59802E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.59287E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.58742E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.000 0.500 0.500 peak 625 spectrum 1 weight 0.10000E+01 volume 0.58308E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.57754E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.56869E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 1.800 1.800 4.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.55052E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.54863E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.54637E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.54481E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.54343E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.54238E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.52563E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.52422E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.400 2.400 3.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.51860E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.400 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.51859E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.51765E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.51755E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.51564E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.51287E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.300 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.50667E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.50526E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.85810E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.49252E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.85972E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.200 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.48267E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.47870E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.47721E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.86083E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.47212E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.46535E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.300 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.46360E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.46126E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.45579E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.45513E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.45453E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.45433E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.200 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.45395E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 784} (( segid " 1SG" and resid 29 and name HA )) (( segid " 1SG" and resid 6 and name HA )) 2.800 2.800 3.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.45247E-02 ppm1 4.446 ppm2 4.446 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.400 0.700 0.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.45173E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.45045E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 789} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 104 and name HD2%) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.44789E-02 ppm1 1.197 ppm2 0.828 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.44603E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.44546E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 801 spectrum 1 weight 0.10000E+01 volume 0.44365E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.44316E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.300 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.44272E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.43997E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.43799E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.43688E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.43613E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.43079E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42759E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.300 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.41389E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.41378E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.40998E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.40702E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.300 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.40472E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.40082E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.800 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.39896E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.39807E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.39558E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.39427E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.39160E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.38616E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.38487E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.38466E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 2.400 3.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.38128E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 895} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.38089E-02 ppm1 0.800 ppm2 1.561 CV 1 ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.38071E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.300 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.38029E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.300 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.37829E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.37307E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.300 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.37004E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 0.600 0.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36788E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.35996E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.35996E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.35932E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.35900E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.35585E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 947} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG1%) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.34893E-02 ppm1 1.819 ppm2 0.980 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.34824E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.34786E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.600 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.34758E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34705E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.34258E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) 2.100 2.100 3.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.34208E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.200 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.34148E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.600 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.34014E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33786E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33616E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.33235E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.33133E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.33089E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.33056E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.33034E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.32949E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1002} (( segid " 1SG" and resid 47 and name HB )) ( segid " 1SG" and resid 47 and name HG2%) 2.400 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.32549E-02 ppm1 2.530 ppm2 0.796 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.32375E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.32325E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.500 0.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.32283E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.32245E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.32186E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31870E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.31807E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.31756E-02 ppm1 4.150 ppm2 0.966 CV 1 OR { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.31227E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.200 3.200 2.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.31224E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.30843E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 3.200 2.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.30730E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.500 2.500 3.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.30607E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.30503E-02 ppm1 1.791 ppm2 1.414 CV 1 OR { 1058} (( segid " 1SG" and resid 94 and name HB2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.30045E-02 ppm1 1.791 ppm2 1.358 CV 1 OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG2 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HG1 )) OR { 1068} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.29671E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.29417E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.300 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.29399E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 3.000 1.100 1.100 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.29361E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.29353E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.29315E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.29078E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28992E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.28901E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.500 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.28649E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.28609E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.28395E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.28312E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 2.600 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.28248E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.28068E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.27758E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.27691E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27558E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.27146E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.27144E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1153} (( segid " 1SG" and resid 17 and name HA )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.27139E-02 ppm1 4.789 ppm2 1.298 CV 1 ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.27133E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) 2.200 2.200 3.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.27104E-02 ppm1 1.326 ppm2 0.961 CV 1 OR { 1155} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.600 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.27077E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.26287E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.26105E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.26007E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 2.900 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.200 2.200 3.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25967E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) 3.000 3.000 3.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.25355E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.25296E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24908E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.24811E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24730E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.24626E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.24310E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.24266E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.24206E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.24168E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) 2.600 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.24141E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.24102E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23901E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1255} (( segid " 1SG" and resid 45 and name HB2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.23894E-02 ppm1 0.615 ppm2 0.827 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.23825E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1266} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.23597E-02 ppm1 0.548 ppm2 3.749 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.500 3.500 2.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.23588E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23456E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.23234E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.600 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.23211E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.23163E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 2.900 3.100 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.23157E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) 2.900 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.23007E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) ASSI { 1295} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.700 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.22892E-02 ppm1 0.828 ppm2 1.193 CV 1 ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22860E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.300 0.600 0.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22836E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22757E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.000 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22754E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.22687E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.22480E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1324} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.800 1.000 1.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.22381E-02 ppm1 0.426 ppm2 1.033 CV 1 ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.300 1.300 1.300 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.22043E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.21918E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21860E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21745E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21732E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.21586E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.800 1.000 1.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.21446E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.21401E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.21169E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.21152E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.500 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.21088E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20925E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20839E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.20758E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.20695E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.20654E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.20620E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.20571E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20523E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.20444E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) 3.000 3.000 3.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.20228E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.20168E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.300 3.300 2.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.20159E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.20116E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.20084E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.500 3.500 2.500 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.19964E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.400 1.400 1.400 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.19824E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19750E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.600 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1470} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 104 and name HG )) 2.800 1.000 1.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.19541E-02 ppm1 0.689 ppm2 1.337 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.19530E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.19387E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.19382E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 3.400 1.400 1.400 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.19360E-02 ppm1 0.863 ppm2 0.419 CV 1 OR { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1490} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 3.100 3.100 2.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.19179E-02 ppm1 1.074 ppm2 1.515 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.19146E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.19142E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.800 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.19108E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.600 0.800 0.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18913E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.18805E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.200 3.200 2.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.18792E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.600 1.600 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18692E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.600 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18602E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.500 1.500 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.18281E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.18249E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 3.100 3.100 2.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.18148E-02 ppm1 0.716 ppm2 0.408 CV 1 OR { 1554} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.17770E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17733E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.300 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.17586E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17527E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1614} (( segid " 1SG" and resid 58 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.17391E-02 ppm1 4.624 ppm2 1.078 CV 1 ASSI { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) 2.900 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17352E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17317E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.17298E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 3.400 2.600 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.17156E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 3.500 2.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.17072E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16977E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16933E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16766E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.400 2.400 3.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16680E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 2.900 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) 3.300 1.300 1.300 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16515E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.800 1.000 1.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.16473E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16318E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 2.900 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.16228E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16174E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.16138E-02 ppm1 4.518 ppm2 4.230 CV 1 ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.200 3.200 2.800 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15919E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.600 0.800 0.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15912E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.15671E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.300 1.400 1.400 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 0.412 ppm2 0.852 CV 1 ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.300 3.300 2.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15469E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15369E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.15259E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15237E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.900 0.900 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 1.042 ppm2 0.183 CV 1 OR { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.200 3.200 2.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.15145E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.15109E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1807} (( segid " 1SG" and resid 92 and name HB2 )) ( segid " 1SG" and resid 93 and name HG2%) 3.300 3.300 2.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 3.877 ppm2 1.043 CV 1 OR { 1807} (( segid " 1SG" and resid 92 and name HB1 )) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14985E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.14924E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14830E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 2.900 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14708E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.800 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14555E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.400 1.500 1.500 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14549E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1858} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 4 and name HG12)) 3.300 3.300 2.700 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 1.612 ppm2 1.245 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14354E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.200 1.200 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14327E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) 3.500 3.500 2.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.900 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14266E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14259E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14255E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.500 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14155E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 3.000 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.300 3.300 2.700 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.13832E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.800 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13707E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 2.500 3.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) 3.000 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.000 1.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13615E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) 3.300 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.13575E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) ASSI { 1963} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 3.300 1.400 1.400 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.13551E-02 ppm1 1.045 ppm2 4.982 CV 1 ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.300 3.300 2.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.400 1.400 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13475E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13305E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.600 1.600 1.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13245E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13229E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 2003} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 3.200 1.300 1.300 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.13138E-02 ppm1 0.757 ppm2 1.744 CV 1 ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.800 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.500 2.500 3.500 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 2.900 1.000 1.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12978E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.12969E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 3.100 1.200 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12824E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG2%) 3.100 1.200 1.200 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.12781E-02 ppm1 3.129 ppm2 0.966 CV 1 OR { 2053} (( segid " 1SG" and resid 27 and name HD2 )) ( segid " 1SG" and resid 8 and name HG1%) OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 3.400 2.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12645E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.12582E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.300 1.400 1.400 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 2.900 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12446E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.600 1.600 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.12040E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11959E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 2.900 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2179} (( segid " 1SG" and resid 102 and name HB2 )) (( segid " 1SG" and resid 100 and name HB2 )) 3.600 3.600 2.400 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 2.746 ppm2 2.972 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11866E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.100 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11811E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11764E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.000 1.100 1.100 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11570E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 2.900 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11534E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.11511E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11486E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.900 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11422E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 3.500 1.600 1.600 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 3.600 2.400 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11347E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11282E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.400 1.400 1.400 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) 3.100 1.200 1.200 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.11175E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.500 1.500 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11169E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.100 1.100 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.11146E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.600 1.600 1.600 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.11120E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11089E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.200 1.300 1.300 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.11061E-02 ppm1 4.559 ppm2 0.871 CV 1 ASSI { 2322} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG2%) 3.400 1.500 1.500 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 1.614 ppm2 0.759 CV 1 OR { 2322} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG2%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.800 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.11000E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10958E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.600 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10832E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.200 1.300 1.300 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10819E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.10744E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10695E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 3.000 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.000 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.200 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10572E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.800 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10492E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 3.400 1.400 1.400 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10480E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2436} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 3.100 1.200 1.200 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10372E-02 ppm1 4.768 ppm2 2.030 CV 1 ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 3.400 1.400 1.400 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.400 1.500 1.500 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.800 1.000 1.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.99617E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.99344E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.99327E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.600 1.600 1.600 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.98226E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.97786E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.700 1.700 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.97496E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.96198E-03 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.96187E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.100 1.100 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.94020E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.93267E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.400 1.400 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.93122E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.800 1.800 1.800 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.92206E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.75028E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.64634E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.100 2.100 3.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33484E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.500 2.500 3.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.000 2.000 4.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19009E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 85} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 46 and name HD1 )) 3.200 3.200 2.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 7.117 ppm2 7.129 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16059E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.800 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13590E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.000 2.000 4.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.600 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12160E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.100 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.68174E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66998E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 185} ( segid " 1SG" and resid 70 and name HE% ) (( segid " 1SG" and resid 28 and name HB )) 1.800 1.800 4.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.66998E-02 ppm1 6.589 ppm2 1.945 CV 1 ASSI { 186} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 47 and name HG2%) 2.200 2.200 3.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.66998E-02 ppm1 7.088 ppm2 0.769 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.66998E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.67270E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.67270E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67270E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 8} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HE22)) 1.500 0.300 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.59500E-01 ppm1 7.451 ppm2 6.922 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.31602E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24902E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.17988E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 45} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HE21)) 1.800 0.400 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.17353E-01 ppm1 6.645 ppm2 6.985 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16085E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.13818E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.100 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13641E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13335E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12817E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.300 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11713E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.200 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11011E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.500 0.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10841E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10166E-01 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10125E-01 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.99578E-02 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.92536E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 2.600 3.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.90418E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.85575E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.85034E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.82835E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.81472E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.81460E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.80812E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.100 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.80360E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.79757E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.79248E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.79047E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.78281E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.77275E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.75830E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.75340E-02 ppm1 9.407 ppm2 4.227 CV 1 ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.75152E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.72896E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.72607E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.71960E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.300 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.71577E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.71313E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.100 2.100 3.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.70886E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.70591E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.500 0.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.69095E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.68687E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.67619E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.66017E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.65565E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.64905E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.300 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.63900E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.63403E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.63184E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.62758E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.61516E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.61075E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.60026E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.59940E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.59386E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.59220E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.57970E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.57445E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.56287E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.55405E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.55130E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.54981E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.54901E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.400 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.54332E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.53896E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.53709E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.53449E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.53401E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.53358E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.53106E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.52894E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.51892E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.51685E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.51382E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.51336E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.50893E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.50712E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.50640E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.50480E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.400 0.700 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.49915E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.49101E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.48731E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.48658E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.47294E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.47152E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.46880E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.46632E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.000 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.46582E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.45929E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) 3.500 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.45846E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.44772E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.900 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.44183E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.43914E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.43906E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.43896E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.600 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.43823E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.43025E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.42951E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.42466E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.42160E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.41240E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.400 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.39936E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.39459E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.39328E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.300 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.39180E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.39115E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 2.600 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.38988E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.38942E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.38815E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.37995E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 2.000 0.500 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.37695E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 3.400 2.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.37446E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.37274E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.37171E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.37078E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.36815E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.800 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.36157E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.500 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.36119E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.35824E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.35326E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.35319E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.34911E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.34903E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.34364E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.34337E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.34186E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 304} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.34139E-02 ppm1 8.591 ppm2 1.513 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.34029E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.33908E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.33823E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.800 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.33802E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.600 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.33796E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.33724E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.33722E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.33570E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.33294E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.32897E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.32810E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.400 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.32596E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.32578E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.32556E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.32552E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.32543E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.32136E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.32120E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 325} (( segid " 1SG" and resid 4 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.500 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.31991E-02 ppm1 8.264 ppm2 0.922 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.31823E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.700 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.31653E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.31631E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.31628E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.300 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.31541E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.31126E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.31080E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.30699E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.30640E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.30403E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.30356E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.30277E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.900 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.30177E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.30044E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.29681E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.29512E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 3.300 1.300 1.300 peak 352 spectrum 1 weight 0.10000E+01 volume 0.29500E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.29500E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.29470E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.29453E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.700 1.700 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.29380E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.900 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.29356E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.800 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.29345E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 361} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.29010E-02 ppm1 8.256 ppm2 1.312 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.28968E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.500 2.500 3.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.28743E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.28691E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.800 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.28551E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 2.900 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.28523E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.28448E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.28410E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.28378E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.000 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.28271E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.900 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.28145E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28068E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.000 1.200 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.27981E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.27912E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.27724E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.27693E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.27665E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.400 1.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.27386E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.27357E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.27324E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.27285E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.27256E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.27255E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.27166E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.27083E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) 3.600 1.600 1.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.27068E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.27048E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.26924E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.26785E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 402} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.800 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.26667E-02 ppm1 7.888 ppm2 9.053 CV 1 ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.600 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.26632E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.26620E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.26436E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26299E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.26178E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25725E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.25635E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.25630E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.25561E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.25530E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.25423E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.25305E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.25178E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.25096E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25092E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.24768E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.800 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.24697E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 433} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA1 )) 3.500 1.600 1.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 9.115 ppm2 3.473 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.24584E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24524E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.24467E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.24416E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.900 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.24413E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.24131E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.23771E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.23761E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 3.600 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.23612E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.23390E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.700 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.23347E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.23203E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.300 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.23071E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.22983E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.400 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.22934E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.22542E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.22471E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.200 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.22394E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.22373E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22287E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.22252E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.22175E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.22099E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.22079E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.22042E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.21926E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 2.900 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.000 3.000 3.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.21338E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21288E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21212E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21099E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.300 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21012E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.20975E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.000 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20943E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.700 1.700 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.20869E-02 ppm1 8.591 ppm2 0.849 CV 1 OR { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.20721E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.600 1.600 1.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.20496E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.20412E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.20379E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20286E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20181E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.500 1.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.20181E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.20110E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.19957E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.19799E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.19416E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19337E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19205E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19071E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.700 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.18965E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18948E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.18838E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.18772E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.18707E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.18692E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18677E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.18572E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.900 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.18559E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18508E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.500 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.400 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.18276E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18240E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.18081E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.500 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18060E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.17831E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.17820E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.17732E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.200 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17458E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17219E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.600 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.17204E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.900 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17109E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17085E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.16913E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.16911E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.16897E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16874E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 586} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.16856E-02 ppm1 7.890 ppm2 8.886 CV 1 ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.400 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.16806E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.700 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16591E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16563E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.400 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16442E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16423E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.100 1.200 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.16423E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16289E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16095E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.15934E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.900 1.900 1.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.15858E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15787E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15767E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.15713E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15314E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15212E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.600 1.700 1.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15172E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15019E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.14933E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.14875E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14833E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14816E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14682E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.200 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.800 1.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14491E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.400 1.500 1.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14461E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 3.900 1.900 1.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14449E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.900 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.600 1.600 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.000 2.000 2.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14187E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.200 2.200 1.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 655} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HG )) 3.700 1.700 1.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14156E-02 ppm1 8.878 ppm2 1.313 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.500 2.500 1.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14132E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14123E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14101E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14094E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) 3.600 1.600 1.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.14064E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.800 3.800 2.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.13998E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13991E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13874E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.400 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13862E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.800 1.800 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13820E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.13817E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13740E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13703E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.900 1.900 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.13687E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13624E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 677} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.000 2.000 2.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.13619E-02 ppm1 7.782 ppm2 0.776 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13570E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13562E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13541E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.13528E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13482E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13376E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.300 2.300 1.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13311E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13169E-02 ppm1 10.115 ppm2 0.595 CV 1 ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 4.100 2.100 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.13136E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13107E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.13102E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.500 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.700 0.900 0.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.200 2.200 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13079E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.800 1.800 1.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.13035E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.400 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.13012E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.12980E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.12946E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.12933E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.12928E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12924E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12891E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.400 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.12769E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12644E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.500 2.500 1.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12602E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.12566E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.900 1.900 1.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.300 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12445E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 4.100 2.100 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12375E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 4.400 2.500 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12276E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) 4.200 2.300 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.12142E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.12142E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.600 1.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12052E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.400 1.400 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12041E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.11980E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.900 1.900 1.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.700 2.800 1.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 763} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.11859E-02 ppm1 8.177 ppm2 8.689 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.11835E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.500 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.11834E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.300 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11769E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.300 2.300 1.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.11682E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.100 1.200 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.200 1.300 1.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11637E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.100 1.200 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11623E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11557E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11433E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11413E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11386E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11278E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 4.300 2.300 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.800 2.900 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.10999E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.300 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.300 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.200 1.300 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10936E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10917E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.900 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10813E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 4.600 2.600 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.10792E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.300 2.300 1.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.300 1.300 1.300 peak 829 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.400 2.400 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.900 1.900 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.10720E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.200 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.10694E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10638E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10626E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10616E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 841} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HN )) 4.300 2.300 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 7.875 ppm2 8.104 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10573E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.700 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.600 1.600 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10486E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 3.900 1.900 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10385E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10304E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.300 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.800 2.800 3.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10252E-02 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.600 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.10230E-02 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.900 3.000 1.100 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10225E-02 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.500 1.500 1.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.600 1.600 1.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.10144E-02 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.800 2.800 3.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.400 2.400 1.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10087E-02 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.000 2.000 2.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.10059E-02 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.500 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.99849E-03 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.800 2.800 1.200 peak 886 spectrum 1 weight 0.10000E+01 volume 0.99779E-03 ppm1 9.239 ppm2 0.619 CV 1 OR { 886} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.300 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.99610E-03 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.400 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.99314E-03 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.100 2.100 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.99233E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.99120E-03 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.000 2.000 2.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.99076E-03 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.98818E-03 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.98780E-03 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.300 2.300 1.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.98737E-03 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.300 2.400 1.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.98636E-03 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.800 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.98579E-03 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.98485E-03 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.400 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.98184E-03 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.98071E-03 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 3.800 1.800 1.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.98071E-03 ppm1 6.897 ppm2 1.262 CV 1 OR { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.97354E-03 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.900 2.900 3.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.97059E-03 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.96827E-03 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.100 2.100 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.96569E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.96418E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.800 1.800 1.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.96085E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.96066E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.300 2.300 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.95834E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.95262E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.95174E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.500 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.95149E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 936} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 39 and name HB )) 3.500 1.600 1.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.94778E-03 ppm1 10.779 ppm2 0.593 CV 1 ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.500 2.500 1.500 peak 939 spectrum 1 weight 0.10000E+01 volume 0.94408E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.300 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.94402E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.700 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.94326E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.000 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.93780E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.93233E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.300 2.300 1.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.92630E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.92416E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.91901E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.91801E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.91757E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.000 2.000 2.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.91650E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.200 1.300 1.300 peak 963 spectrum 1 weight 0.10000E+01 volume 0.90663E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.300 1.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.90531E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.90186E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 4.000 2.000 2.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.89954E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) 3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.89683E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.400 1.600 peak 972 spectrum 1 weight 0.10000E+01 volume 0.89658E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.500 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.89621E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.89407E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.89244E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.000 2.000 2.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.88785E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.88358E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.800 1.800 1.800 peak 980 spectrum 1 weight 0.10000E+01 volume 0.88339E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.300 2.300 1.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.87667E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 4.300 2.400 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.87397E-03 ppm1 6.765 ppm2 1.329 CV 1 OR { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.87057E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.87026E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.86994E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.86957E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.86762E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.600 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.86611E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.85914E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 3.800 1.800 1.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.85612E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.85480E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.84802E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.84739E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.84494E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 4.400 2.400 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.84475E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.84280E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.84236E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.84186E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.84054E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.700 1.800 1.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.83771E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.83589E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.83338E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.200 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.83288E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.83124E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1023} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.83080E-03 ppm1 8.380 ppm2 8.945 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.800 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.82672E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.100 2.100 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.82622E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.500 1.600 1.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.82465E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.500 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.82458E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.82333E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.100 2.100 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.81849E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.81604E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.400 2.500 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.81246E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.300 2.400 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.81183E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.80938E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.80894E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.600 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.80781E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.600 1.700 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.80347E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.80046E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.80021E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.79776E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.700 2.700 1.300 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.79606E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.79474E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.100 2.100 1.900 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.79223E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 4.400 2.400 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.79179E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.900 1.900 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.79016E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.200 2.300 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.78689E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.78651E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.500 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.78544E-03 ppm1 8.213 ppm2 0.596 CV 1 ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.78431E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.78017E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.700 1.700 1.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.77376E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1073} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.76986E-03 ppm1 9.828 ppm2 8.006 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.100 2.100 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.76509E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.900 1.900 1.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.76446E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.400 2.400 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.76333E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.500 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.76258E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.76220E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.76201E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 4.000 2.000 2.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.76138E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.000 2.000 2.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.76113E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.500 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.76013E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.500 1.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.75837E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.400 2.400 1.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.75409E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 4.200 2.200 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.74348E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.74203E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.74159E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1103} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.200 2.200 1.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.73506E-03 ppm1 8.925 ppm2 9.242 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.73418E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.500 2.600 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.73412E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.73204E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 4.600 2.700 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.72538E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.72199E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.71860E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.900 3.000 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.71715E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.71608E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.300 2.300 1.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.71527E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.71294E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.71112E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.100 3.200 0.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.71037E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.900 1.900 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.70691E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.400 2.400 1.600 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.70578E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.500 2.600 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.70471E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.70264E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.70251E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.200 2.200 1.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.70163E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.400 2.500 1.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.70044E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.700 2.700 1.300 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.69516E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 4.000 2.000 2.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.69447E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) 3.700 3.700 2.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.69315E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 3.000 3.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.69290E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.100 2.100 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.69227E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.300 2.300 1.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.68838E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.68794E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.68568E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.700 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.68561E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.300 2.300 1.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.68480E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.68373E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.800 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.68316E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.200 2.200 1.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.68247E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.500 2.600 1.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.68210E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.600 2.600 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.68015E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.700 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.67870E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 3.700 1.700 1.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.67864E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 3.900 3.900 2.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.67795E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.67594E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.700 2.800 1.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.67588E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.600 1.600 1.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.67581E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.600 2.700 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.67512E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.67179E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.67154E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1184} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.800 1.800 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.67142E-03 ppm1 9.178 ppm2 8.396 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.500 2.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.67054E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1191} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 86 and name HN )) 4.300 2.300 1.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.66897E-03 ppm1 9.407 ppm2 7.944 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.000 2.000 2.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.66834E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.600 2.600 1.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.66570E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.500 2.500 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.66375E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.100 2.100 1.900 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.66306E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.300 3.500 0.700 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.66174E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.66055E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.300 1.400 1.400 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.65916E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.65602E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.400 1.400 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.65584E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 4.800 2.900 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.65200E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.65006E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.64886E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.64874E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.600 1.700 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.64629E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.500 2.500 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.64585E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 4.800 2.900 1.200 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.64547E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.64497E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.64358E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.700 1.800 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.64095E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.63818E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.400 2.400 1.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.63806E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.63793E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.600 2.600 1.400 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.63391E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.300 2.300 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.63234E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.300 2.300 1.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.63196E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.000 2.000 2.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.63014E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.62945E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.62869E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.100 3.300 0.900 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.62838E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.400 2.400 1.600 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.62374E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.600 2.700 1.400 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.62268E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.400 1.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.61998E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.200 3.400 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.61887E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.61789E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.61781E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.800 2.800 1.200 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.61760E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.900 3.000 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.61680E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.400 2.500 1.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.61636E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.500 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.61602E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.100 2.100 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.61545E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.100 2.100 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.61533E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.60723E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.000 2.000 2.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.60720E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.400 2.400 1.600 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.60717E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 5.000 3.100 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.60680E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.800 1.800 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.60661E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.400 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.60456E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 3.800 1.800 1.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.60211E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.600 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.60202E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.300 2.300 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.60154E-03 ppm1 8.737 ppm2 1.365 CV 1 OR { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1299} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.700 2.800 1.300 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.60137E-03 ppm1 8.875 ppm2 0.650 CV 1 ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.60121E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.100 2.200 1.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.59998E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.59464E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.59450E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.59419E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.300 2.300 1.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.59295E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.700 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.59153E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.000 2.000 2.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.59143E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.600 2.600 1.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.58927E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.58841E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.200 2.200 1.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.58816E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 4.000 2.000 2.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.58658E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.58479E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 4.600 2.700 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.58110E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.58038E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.57897E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.57336E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.200 1.200 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.300 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1362} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HN )) 3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.059 ppm2 7.543 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.500 3.500 2.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) 3.100 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) 3.600 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.600 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.500 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.200 1.200 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.200 1.200 1.200 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.600 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.000 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.800 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.34998E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.500 0.800 0.800 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.400 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.200 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.400 1.500 1.500 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.500 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 2.900 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.300 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.300 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.200 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.35017E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.200 1.300 1.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.100 3.100 2.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.300 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.35035E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.500 1.500 1.500 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.100 1.200 1.200 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.900 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.300 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.200 1.300 1.300 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.100 1.200 1.200 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.300 1.400 1.400 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.500 3.500 2.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 3.200 2.800 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.500 1.600 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.200 1.200 1.200 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.800 2.800 3.200 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1496} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.300 2.300 3.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.273 ppm2 1.513 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.500 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.300 2.300 3.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.300 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.500 1.500 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.400 3.400 2.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) 3.300 1.300 1.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.800 1.000 1.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.600 3.600 2.400 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 3.400 2.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 2.300 2.300 3.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.600 1.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.200 3.200 2.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.300 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.500 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.400 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.700 1.700 1.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.926 ppm2 0.405 CV 1 OR { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 3.400 1.400 1.400 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 2.400 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.800 2.800 3.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1568} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 2.900 2.900 3.100 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.469 ppm2 2.408 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.200 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.500 1.500 1.500 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.600 0.900 0.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.900 2.900 3.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.300 3.300 2.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.500 1.500 1.500 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 2.600 3.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.000 1.200 1.200 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 3.200 2.800 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 2.300 3.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.100 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.700 1.800 1.800 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.900 1.000 1.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.300 3.300 2.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.35106E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.600 1.600 1.600 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.84607E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.84632E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.84670E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.83476E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.83476E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.500 2.500 3.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.83476E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.83614E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 2.000 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.84469E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.23196E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.83614E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 1.900 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.83614E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.000 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.83614E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG1 )) 1.800 0.400 0.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19610E-01 ppm1 1.680 ppm2 1.415 CV 1 OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16232E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.83759E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13817E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.83790E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11644E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.100 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.346 ppm2 1.779 CV 1 OR { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB2 )) OR { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB1 )) OR { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 318} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 52 and name HB2 )) 2.100 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.347 ppm2 1.689 CV 1 OR { 318} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 52 and name HB2 )) ASSI { 323} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HB2 )) 2.200 0.600 0.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.415 ppm2 1.794 CV 1 OR { 323} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HB2 )) ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) 2.400 2.400 3.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10605E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.300 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.300 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10367E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10151E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 352} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.000 0.500 0.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10095E-01 ppm1 1.368 ppm2 1.640 CV 1 OR { 352} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 352} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 352} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10082E-01 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10026E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 2.100 3.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 357} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.341 ppm2 0.980 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.99176E-02 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.100 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.97970E-02 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.83935E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.94980E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.83966E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.92077E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.89765E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) 2.300 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.89325E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.83966E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.200 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.88892E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.000 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.84079E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.87667E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.500 2.500 3.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.84079E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.85210E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.84557E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.100 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.82942E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.84218E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.80787E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.78274E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.84218E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.76421E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.84218E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.73606E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.73349E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) 2.400 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.72865E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.72808E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.72193E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.71389E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 2.000 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.84632E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.300 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.84249E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.69874E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.69535E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.69309E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.69014E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.68071E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.67826E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.84280E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.300 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.66941E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.66821E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.66696E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.66450E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.84280E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.64817E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.63768E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.200 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63121E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.62876E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.62569E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.61771E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.61722E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.200 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.60761E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.000 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 2.000 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.59906E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.59020E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 612} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HB )) 2.300 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.58954E-02 ppm1 1.013 ppm2 1.941 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.58777E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.58265E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.57730E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.100 0.600 0.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.57302E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.56762E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.55891E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) 1.900 1.900 4.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.54106E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.53921E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 650} (( segid " 1SG" and resid 4 and name HG12)) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 2.500 3.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.53919E-02 ppm1 1.248 ppm2 1.588 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.53698E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.200 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.53544E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.53409E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.53306E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) 2.400 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.51659E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.51521E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.50968E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.50968E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.50875E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) 2.300 0.700 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.50865E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50678E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.100 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.50406E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.400 2.400 3.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.300 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.49797E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.49657E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.48406E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.200 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.84494E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) 2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.47437E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.47047E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.46901E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.84607E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.46401E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.45736E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.300 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.45563E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.45333E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 772} ( segid " 1SG" and resid 6 and name HD2%) (( segid " 1SG" and resid 6 and name HG )) 2.300 0.700 0.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.44899E-02 ppm1 0.496 ppm2 1.330 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.44796E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.44731E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.44671E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.44652E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.400 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.44614E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.44397E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 2.800 3.200 peak 787 spectrum 1 weight 0.10000E+01 volume 0.44271E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.43837E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.43781E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.43602E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.43554E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) 2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.43512E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.43240E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.43046E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.42937E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.42863E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.42339E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42024E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.300 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.40678E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.40667E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.40002E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.39777E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.39210E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.39123E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.38878E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.38749E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.400 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.38488E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.37952E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 883} (( segid " 1SG" and resid 37 and name HG2 )) (( segid " 1SG" and resid 94 and name HG2 )) 3.000 3.000 3.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.37926E-02 ppm1 1.387 ppm2 1.395 CV 1 OR { 883} (( segid " 1SG" and resid 37 and name HG2 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.37805E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 2.500 3.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.37472E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 895} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.37435E-02 ppm1 0.800 ppm2 1.561 CV 1 ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.37417E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.37375E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.400 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.37178E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.36666E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.300 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.36368E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36155E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.35378E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.35376E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.35315E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.300 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.35283E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.200 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34973E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.500 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.34500E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 947} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG1%) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.34293E-02 ppm1 1.819 ppm2 0.980 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.34225E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.34188E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.34161E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34109E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.33669E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) 2.200 2.200 3.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.33620E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.33561E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.33429E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33205E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33037E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.600 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.32664E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 989} ( segid " 1SG" and resid 71 and name HD2%) (( segid " 1SG" and resid 69 and name HB )) 2.200 2.200 3.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.32526E-02 ppm1 0.748 ppm2 1.766 CV 1 ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.32520E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.32488E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.32466E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 995} (( segid " 1SG" and resid 47 and name HB )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 0.700 0.700 peak 995 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 2.530 ppm2 0.993 CV 1 ASSI { 1002} (( segid " 1SG" and resid 47 and name HB )) ( segid " 1SG" and resid 47 and name HG2%) 2.400 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.31990E-02 ppm1 2.530 ppm2 0.796 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.31819E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.31769E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.31728E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.31690E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.31632E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.600 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31322E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.31261E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.31210E-02 ppm1 4.150 ppm2 0.966 CV 1 OR { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.30690E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 3.200 3.200 2.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.30688E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1045} (( segid " 1SG" and resid 48 and name HB2 )) (( segid " 1SG" and resid 47 and name HB )) 2.800 2.800 3.200 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.30365E-02 ppm1 2.947 ppm2 2.479 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.30313E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 3.100 2.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.30201E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.400 2.400 3.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.30081E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30045E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1065} (( segid " 1SG" and resid 45 and name HG2 )) ( segid " 1SG" and resid 104 and name HD2%) 2.800 2.800 3.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.29712E-02 ppm1 0.602 ppm2 0.823 CV 1 ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.600 0.900 0.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.29162E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.28972E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.28912E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.800 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.200 2.200 3.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.28848E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.600 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.28811E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.28578E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28494E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.400 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.28404E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.28156E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.900 0.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.27907E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27825E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27763E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.27585E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.27281E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.27215E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.700 2.700 3.300 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.27212E-02 ppm1 4.623 ppm2 2.692 CV 1 ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27085E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.26679E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.26678E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.26667E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.26611E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26375E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.25835E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) 2.600 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.25655E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.25561E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 3.000 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.25549E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 2.300 3.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25520E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.500 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.25481E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) 2.900 2.900 3.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.24919E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) ASSI { 1203} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 106 and name HB )) 3.100 1.200 1.200 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.24913E-02 ppm1 4.003 ppm2 1.861 CV 1 ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.24861E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.800 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24480E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.24384E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24305E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.23892E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.600 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.23849E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.23752E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) 2.600 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.23725E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.23688E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.23551E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.300 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23490E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.400 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.23416E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.100 3.100 2.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.23183E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23053E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) 2.600 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.22835E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.22813E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.22765E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.000 3.000 3.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.900 1.000 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.22612E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1295} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.800 1.000 1.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.22498E-02 ppm1 0.828 ppm2 1.193 CV 1 ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.900 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22466E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.400 0.700 0.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22444E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22366E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22363E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.22297E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.22093E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21754E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.21664E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) 2.800 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21604E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.900 0.900 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.21541E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.700 0.900 0.900 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21484E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21371E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.900 1.100 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21359E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.21215E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.21078E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.21027E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.20805E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) 2.800 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.20788E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.20725E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) 3.000 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20481E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.20401E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.20360E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.20339E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.20300E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.20217E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20170E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.19895E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.19880E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.19822E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.200 3.200 2.800 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.19812E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19770E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.19752E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.19739E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1443} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 3.400 3.400 2.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.19622E-02 ppm1 4.357 ppm2 1.253 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.300 1.300 1.300 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.19483E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19409E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.19054E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.400 1.400 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.19027E-02 ppm1 0.863 ppm2 0.419 CV 1 OR { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18816E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) 2.900 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) 2.800 0.900 0.900 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.18689E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.700 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18588E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.18502E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.18482E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.000 3.000 3.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18371E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.900 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.18295E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.600 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18282E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.18157E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.600 1.600 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.17967E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.17935E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.17465E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17428E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1589} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.900 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.17423E-02 ppm1 0.491 ppm2 1.039 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.600 1.600 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.17283E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17225E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1613} (( segid " 1SG" and resid 6 and name HA )) (( segid " 1SG" and resid 6 and name HG )) 2.800 1.000 1.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 4.455 ppm2 1.332 CV 1 ASSI { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17054E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 3.700 1.700 1.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17019E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.17001E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.300 3.300 2.700 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.16861E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.200 3.200 2.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.16740E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16686E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 2.900 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16642E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.400 2.400 3.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16375E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 2.900 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.16240E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.200 1.200 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.900 1.000 1.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.16190E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16038E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 3.100 1.200 1.200 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.15950E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.300 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.15896E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.15889E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.900 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15861E-02 ppm1 4.518 ppm2 4.230 CV 1 OR { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.15740E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15664E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.500 2.500 3.500 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15645E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.100 1.100 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.300 3.300 2.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15203E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 2.800 3.200 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.15154E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15105E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.14976E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.900 1.000 1.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.14892E-02 ppm1 1.042 ppm2 0.183 CV 1 OR { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.200 3.200 2.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.14884E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.14849E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14786E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1811} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 50 and name HA )) 2.900 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 0.869 ppm2 3.945 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.000 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14576E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1835} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 37 and name HG2 )) 3.200 3.200 2.800 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.14523E-02 ppm1 0.909 ppm2 1.362 CV 1 OR { 1835} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) OR { 1835} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 2.900 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.500 1.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1853} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 3.200 3.200 2.800 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.14299E-02 ppm1 0.753 ppm2 1.558 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14081E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) 3.500 3.500 2.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14028E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.14021E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14021E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.100 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14013E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.800 1.000 1.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.13960E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.600 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.13911E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.900 1.000 1.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.13812E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.13808E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.300 3.300 2.700 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1932} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) 3.400 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.13556E-02 ppm1 0.616 ppm2 0.865 CV 1 OR { 1932} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13535E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13472E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 2.500 3.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13413E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.13341E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1963} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 3.200 1.300 1.300 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.13318E-02 ppm1 1.045 ppm2 4.982 CV 1 ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.300 3.300 2.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.13304E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.13260E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.300 1.300 1.300 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13243E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.600 1.600 1.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13036E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 2.700 0.900 0.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13002E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2008} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 35 and name HA )) 3.000 1.100 1.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 0.923 ppm2 4.674 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.500 2.500 3.500 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 3.000 1.100 1.100 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12760E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.100 1.200 1.200 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2029} (( segid " 1SG" and resid 56 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 3.200 1.300 1.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.12745E-02 ppm1 4.981 ppm2 1.049 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.100 1.200 1.200 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 3.100 1.200 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.12618E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12603E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.400 3.400 2.600 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.12365E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2074} (( segid " 1SG" and resid 80 and name HG2 )) ( segid " 1SG" and resid 82 and name HB% ) 3.100 1.200 1.200 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.12353E-02 ppm1 2.175 ppm2 1.330 CV 1 OR { 2074} (( segid " 1SG" and resid 80 and name HG1 )) ( segid " 1SG" and resid 82 and name HB% ) ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12328E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12319E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.200 1.300 1.300 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 2.900 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 1.000 1.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12111E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 1.300 1.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12012E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.600 1.600 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2159} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.900 1.000 1.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.11819E-02 ppm1 1.025 ppm2 1.678 CV 1 OR { 2159} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11753E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11728E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.200 1.300 1.300 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11676E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.000 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11608E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11583E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.200 1.200 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11562E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.100 1.200 1.200 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11371E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2230} (( segid " 1SG" and resid 43 and name HE2 )) ( segid " 1SG" and resid 47 and name HG1%) 3.100 1.200 1.200 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.11363E-02 ppm1 2.519 ppm2 0.999 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 3.000 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11336E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.400 1.500 1.500 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.11314E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11298E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11288E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2245} (( segid " 1SG" and resid 13 and name HA )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 5.374 ppm2 5.527 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.900 1.100 1.100 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11226E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 3.500 1.600 1.600 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.11180E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 3.600 2.400 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11088E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11029E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) 3.300 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2309} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 49 and name HA )) 3.500 3.500 2.500 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.10908E-02 ppm1 4.570 ppm2 3.884 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) 3.300 1.300 1.300 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.10871E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.900 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10812E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10770E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10751E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10714E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.600 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.200 1.300 1.300 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.600 1.600 1.600 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10511E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 3.000 1.200 1.200 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10403E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.200 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.300 1.400 1.400 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10391E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.900 1.100 1.100 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10312E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 3.500 1.500 1.500 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10300E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 3.600 2.400 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) 3.300 1.300 1.300 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.10222E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 2436} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 3.000 1.200 1.200 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 4.768 ppm2 2.030 CV 1 ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.100 1.200 1.200 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10184E-02 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.300 1.300 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10129E-02 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 2461} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HA )) 3.200 1.300 1.300 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 0.937 ppm2 4.292 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.99704E-03 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.400 1.500 1.500 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.99038E-03 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.98868E-03 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.98510E-03 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.97901E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.97637E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.200 1.200 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.97618E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.400 1.500 1.500 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.96538E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.96104E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.95815E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.94546E-03 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.400 1.400 1.400 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.94533E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.92404E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.300 1.300 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.91669E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.500 1.500 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.91524E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.600 1.600 1.600 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.90619E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.75711E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.65225E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.68800E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.200 2.200 3.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.68800E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33790E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.500 2.500 3.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.68800E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19183E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16206E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 102} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 102 and name HD% ) 2.900 2.900 3.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 6.552 ppm2 6.764 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.100 2.100 3.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.68800E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.68800E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.000 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.68800E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.67606E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 185} ( segid " 1SG" and resid 70 and name HE% ) (( segid " 1SG" and resid 28 and name HB )) 1.800 1.800 4.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.67606E-02 ppm1 6.589 ppm2 1.945 CV 1 ASSI { 186} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 47 and name HG2%) 2.100 2.100 3.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.67606E-02 ppm1 7.088 ppm2 0.769 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.000 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.67606E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 1.800 1.800 4.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.67606E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.67889E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.67883E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67883E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.300 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.62760E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.30750E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24230E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.800 0.400 0.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.18170E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.17502E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15650E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.13688E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.13445E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13274E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.12975E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12472E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11396E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.200 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10714E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10548E-01 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.98921E-02 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.98521E-02 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.96890E-02 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.90036E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.800 2.800 3.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.87980E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.83267E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.500 0.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.82738E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.300 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.80604E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.79276E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.79263E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.78631E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.78193E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.500 0.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.77606E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.77116E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.200 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.76910E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.400 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.76168E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.75195E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.200 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.73789E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.73312E-02 ppm1 9.407 ppm2 4.227 CV 1 ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.73125E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.70933E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.900 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.70649E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.400 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.70017E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.300 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.69650E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.69386E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.100 2.100 3.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.68973E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.68683E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.67232E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.66832E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.65794E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.64234E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.63797E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.63155E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.300 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.62179E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.61694E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.61482E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.61065E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.59857E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.59427E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.300 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.58407E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.58323E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.57784E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.500 0.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.57622E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.56406E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.55895E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.54768E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.53911E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.53643E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.53498E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.600 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.53420E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.52866E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.52442E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.52260E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.52007E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.51961E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.51918E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.51673E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.51467E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.50493E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.50290E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 2.900 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.49996E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.600 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.49951E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.300 1.400 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.49520E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 217} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 3.400 3.400 2.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.49344E-02 ppm1 9.019 ppm2 1.097 CV 1 ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.600 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.49274E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.49119E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.48569E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.47776E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.47417E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.47346E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.46018E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.45879E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.45616E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.45374E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.300 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.45325E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.44689E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.400 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.44609E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.43564E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.600 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.43057E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.42991E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.42730E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.42722E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.42711E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.42641E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.41865E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.41793E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.41321E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.41023E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.40127E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.38395E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 2.900 1.100 1.100 peak 267 spectrum 1 weight 0.10000E+01 volume 0.38267E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.38123E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.38060E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.600 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.37937E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.37892E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.37768E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 2.000 0.500 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.36805E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.36679E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.700 3.700 2.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.36436E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.36269E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.700 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.36168E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.36078E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.35822E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.35181E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.800 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.35145E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.34857E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.34374E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.34366E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.33969E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.33962E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.33602E-02 ppm1 9.273 ppm2 0.839 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.33437E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.33411E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.33264E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.33112E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.900 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.32993E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.32911E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.32890E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.32884E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.32814E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.32812E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.32664E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.32396E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.32010E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.31716E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.31699E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.31677E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.31674E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.31665E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.31253E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 325} (( segid " 1SG" and resid 4 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.500 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.31129E-02 ppm1 8.264 ppm2 0.922 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.30964E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.600 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.30800E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.30777E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.900 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.30774E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.30287E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.30242E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.29871E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.900 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.29814E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.29583E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.29537E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.29460E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.29363E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.29233E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.29028E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.28880E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.28716E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.28705E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.500 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.28704E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.28676E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.28659E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.600 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.28587E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.900 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.28564E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.28554E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 361} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.28227E-02 ppm1 8.256 ppm2 1.312 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.27968E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.27916E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.27781E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.27754E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.27681E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.27644E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.27612E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.27509E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.000 1.100 1.100 peak 374 spectrum 1 weight 0.10000E+01 volume 0.27386E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.27311E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.300 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.27227E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) 3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.27159E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.26976E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.26946E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.26919E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.500 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.26647E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.26620E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.26587E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.26549E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.26520E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.26520E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.700 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.26434E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.600 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.26353E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) 3.400 1.400 1.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.26338E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.26318E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.26199E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.26062E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.500 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.25914E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.25902E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.25722E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.25590E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.25472E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25031E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.200 1.300 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.24944E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.24939E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.24871E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.24842E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.24737E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.24623E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.24499E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.000 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.24418E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.24415E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.24402E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.24128E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.000 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 433} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA1 )) 3.400 1.400 1.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 9.115 ppm2 3.473 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.23921E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.23862E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.23807E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.23757E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.23755E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 2.800 1.000 1.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.23480E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.23130E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.900 1.100 1.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.23119E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.22976E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.900 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.22717E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.300 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.22577E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.22449E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.22362E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.600 1.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.22315E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.21934E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21865E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.000 1.100 1.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.21791E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.21770E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.21685E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.21651E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.21503E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.21335E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.21279E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.21208E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.20996E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 487} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.20762E-02 ppm1 8.723 ppm2 1.750 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.200 1.200 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.20714E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 4.000 2.000 2.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.20640E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20529E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.20445E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.20410E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20379E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.20163E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.20086E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.300 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.19943E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.19861E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.19829E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.19738E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.19568E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.18892E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.200 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.18816E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.18687E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.18539E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.600 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.18454E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18437E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.18350E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.18330E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.100 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.18266E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.18203E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.18187E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18173E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.18071E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.900 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.18058E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18009E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.400 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.17945E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.400 1.400 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.17945E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 3.000 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.17903E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.17869E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17783E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.000 2.000 2.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17593E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.200 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.17573E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.200 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.17520E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.17468E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.17377E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.17350E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17255E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.17254E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.200 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.16987E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.300 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.16968E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.16754E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.16740E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.16642E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.16624E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.16456E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.16454E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 3.800 1.800 1.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.16441E-02 ppm1 8.062 ppm2 1.318 CV 1 ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 3.300 2.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.16353E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.800 1.800 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16143E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.16116E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.500 1.500 1.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.15998E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.000 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.100 1.200 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.15849E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 4.000 2.000 2.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15341E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.15288E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.14900E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.14797E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.14762E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.500 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.14613E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.14613E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.14530E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.14474E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.800 1.800 1.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14433E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 639} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.14384E-02 ppm1 8.593 ppm2 6.922 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) 3.400 1.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14297E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.200 1.200 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.14129E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.900 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.14100E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.400 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 4.100 2.100 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14003E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.400 1.500 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.13900E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.400 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.600 1.600 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13805E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.500 2.500 1.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.13751E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.100 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.13741E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.600 1.700 1.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.13713E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.300 3.300 2.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.100 2.100 1.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.13620E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13500E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.400 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13488E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13447E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.200 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.13444E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.900 1.900 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.13317E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.300 1.400 1.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13175E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.13163E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13136E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13119E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.300 2.300 1.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12893E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12753E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12748E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.100 2.100 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.12726E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12707E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.700 1.800 1.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.600 2.600 1.400 peak 708 spectrum 1 weight 0.10000E+01 volume 0.12668E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.300 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.12661E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.12579E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12575E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.12463E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.600 1.700 1.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.12425E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.100 2.100 1.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12262E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.700 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.100 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.12194E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.300 2.300 1.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.12115E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.600 1.600 1.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.12109E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12093E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 4.400 2.400 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.11945E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.11815E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.800 1.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.11730E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.000 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.11726E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.400 1.500 1.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.11716E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.700 1.700 1.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.800 2.800 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 763} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 4.100 2.100 1.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.11539E-02 ppm1 8.177 ppm2 8.689 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.900 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.11516E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.500 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.11515E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.11452E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11375E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.11369E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.11367E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.100 1.200 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.600 1.600 1.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11322E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) 3.400 1.400 1.400 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11309E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.400 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.11292E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.11270E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 782} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 76 and name HG12)) 4.000 2.000 2.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.11246E-02 ppm1 7.440 ppm2 1.105 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11245E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 789} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.300 3.300 2.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.11140E-02 ppm1 7.545 ppm2 2.672 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 4.000 2.000 2.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11116E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11079E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.200 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.10911E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.400 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.10855E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.300 2.300 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.10828E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10760E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.600 2.700 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.10755E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.10702E-02 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.400 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.300 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.300 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.400 1.500 1.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10623E-02 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 4.700 2.700 1.300 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.10501E-02 ppm1 7.752 ppm2 0.845 CV 1 OR { 826} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 827} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HN )) 3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 8.888 ppm2 7.891 CV 1 ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10439E-02 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 4.000 2.000 2.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.10439E-02 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10350E-02 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.10329E-02 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 841} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HN )) 4.300 2.300 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10294E-02 ppm1 7.875 ppm2 8.104 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.600 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10275E-02 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.600 1.600 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10203E-02 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10115E-02 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10112E-02 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.100 2.100 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10026E-02 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.500 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.900 2.900 3.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.99926E-03 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.100 2.100 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.99752E-03 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.600 1.600 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.99540E-03 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.800 2.900 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.99494E-03 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.99353E-03 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.900 1.900 1.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.98792E-03 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.98708E-03 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.900 2.900 3.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.98463E-03 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.98398E-03 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.300 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.98153E-03 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 2.900 2.900 3.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.97876E-03 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.97792E-03 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.97721E-03 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.800 1.800 1.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.97154E-03 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.96928E-03 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.600 1.600 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.96632E-03 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.100 2.100 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.96561E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 4.000 2.000 2.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.96445E-03 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.100 2.100 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.96400E-03 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.96148E-03 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 2.900 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.96116E-03 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.600 2.600 1.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.96071E-03 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.200 2.200 1.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.95974E-03 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.95923E-03 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.100 2.100 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.95826E-03 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.400 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.95536E-03 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.95426E-03 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 3.900 1.900 1.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.95426E-03 ppm1 6.897 ppm2 1.262 CV 1 OR { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.500 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.94723E-03 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 2.900 2.900 3.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.94446E-03 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.600 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.94214E-03 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.100 2.200 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.93963E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.93814E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 4.000 2.000 2.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.93492E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.93479E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.400 2.400 1.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.93247E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.500 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.92693E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.300 1.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.92609E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.500 1.500 1.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.92583E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 936} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 39 and name HB )) 3.500 1.500 1.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.92222E-03 ppm1 10.779 ppm2 0.593 CV 1 ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.700 2.800 1.300 peak 939 spectrum 1 weight 0.10000E+01 volume 0.91861E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.300 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.91854E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.700 1.800 1.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.91777E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.600 1.700 1.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.91248E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.800 1.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.90713E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.300 2.400 1.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.90127E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.89920E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.89424E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.89321E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.89282E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.100 2.100 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.89179E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.200 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.88218E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.300 1.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.88089E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.87754E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.87528E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) 3.500 1.500 1.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.87264E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 2.900 2.900 3.100 peak 972 spectrum 1 weight 0.10000E+01 volume 0.87238E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.500 1.600 1.600 peak 973 spectrum 1 weight 0.10000E+01 volume 0.87206E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.86993E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.86838E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.200 2.200 1.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.86387E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.85974E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.900 1.900 1.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.85955E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) 3.500 1.500 1.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.85040E-03 ppm1 6.765 ppm2 1.329 CV 1 OR { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.84711E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.84679E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.300 1.300 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.84646E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.200 2.200 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.84614E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 3.900 1.900 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.84421E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.84279E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.84189E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.83595E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.83299E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.83170E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.82512E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.82454E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.82216E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.400 2.400 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.82196E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.300 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.82009E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.81964E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.200 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.81913E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.300 2.300 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.81784E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.900 1.900 1.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.81513E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.81332E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.81094E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.81042E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.200 2.200 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.80888E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.800 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.80443E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 4.300 2.300 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.80391E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.600 1.600 1.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.80236E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.80230E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.80114E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.000 2.000 2.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.79643E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.79405E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.400 2.400 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.79057E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.100 2.100 1.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.78992E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.78754E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.100 2.200 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.78715E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.700 1.700 1.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.78605E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.600 1.600 1.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.78180E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.77890E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.77864E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.700 1.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.77619E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.700 2.800 1.300 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.77458E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.77329E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.77084E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 3.700 1.700 1.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.77045E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.76884E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.76561E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.500 1.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.76529E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.300 1.300 1.300 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.76426E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.76316E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.900 1.900 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.75910E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.600 1.600 1.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.75285E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1073} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.74904E-03 ppm1 9.828 ppm2 8.006 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.74440E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.74389E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.300 2.300 1.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.74273E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.500 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.74202E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.74163E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.74144E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 4.000 2.000 2.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.74086E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.74060E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.73963E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.600 1.600 1.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.73789E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.400 2.400 1.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.73376E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 3.800 1.800 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.72338E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.600 1.600 1.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.72203E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.72158E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.200 2.200 1.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.71436E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.500 2.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.71429E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.71230E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 4.900 3.000 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.70578E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.70250E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.69921E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.700 2.800 1.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.69779E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.600 1.600 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.69676E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.69598E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.800 1.800 1.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.69373E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.69199E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 5.100 3.300 0.900 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.69121E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.68786E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.000 2.000 2.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.68676E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.500 2.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.68573E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) 4.700 2.800 1.300 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.68477E-03 ppm1 7.881 ppm2 1.329 CV 1 OR { 1132} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.500 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.68373E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.68354E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.300 2.300 1.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.68270E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.600 2.600 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.68154E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.300 2.300 1.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.67645E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.900 1.900 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.67574E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) 3.000 3.000 3.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.67445E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.67419E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.100 2.100 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.67361E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.400 2.400 1.600 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.66981E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.300 2.300 1.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.66936E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.66716E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.700 2.700 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.66710E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.400 2.400 1.600 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.66633E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.66529E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.700 2.800 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.66471E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.200 2.200 1.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.66407E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.66368E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.700 2.800 1.300 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.66181E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.700 2.800 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.66039E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 3.700 1.700 1.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.66033E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 3.900 3.900 2.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.65969E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.200 2.200 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.65949E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.300 2.300 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.65769E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.600 2.600 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.65762E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.65762E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.400 2.400 1.600 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.65691E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.800 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.65369E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.65343E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.65246E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.500 2.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.64776E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.500 2.600 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.64582E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1198} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 76 and name HN )) 4.300 2.300 1.700 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.64550E-03 ppm1 9.238 ppm2 8.919 CV 1 ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.200 2.200 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.64518E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.400 3.600 0.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.64388E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) 4.200 2.200 1.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.64271E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.500 1.500 1.500 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.64137E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.63830E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.400 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.63815E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.100 2.100 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.63472E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 4.700 2.800 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.63444E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.63250E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 3.700 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.63137E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.63121E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.600 1.600 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.62884E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.500 2.600 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.62843E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 4.700 2.700 1.300 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.62806E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.100 2.100 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.62757E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.62625E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.700 1.700 1.700 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.62368E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.62095E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.400 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.62082E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 5.000 3.100 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.62071E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.600 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.61678E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.100 2.100 1.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.61527E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.400 1.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.61492E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.61312E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.300 2.300 1.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.61245E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.61174E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.61143E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.60691E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.700 2.700 1.300 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.60588E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.200 3.400 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.60217E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.60122E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.60115E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.600 2.700 1.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.60094E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 5.000 3.100 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.60016E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 5.000 3.100 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.59974E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.600 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.59940E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.100 2.100 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.59885E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.100 2.100 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.59873E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.59084E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.000 2.000 2.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.59082E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.400 2.400 1.600 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.59079E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 5.000 3.200 1.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.59044E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.59024E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.500 2.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.58825E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.58586E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 4.500 2.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.58578E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.800 1.800 1.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.58531E-03 ppm1 8.737 ppm2 1.365 CV 1 ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.58499E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.58379E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.58046E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.57860E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.57846E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.300 2.400 1.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.57816E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.57695E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.600 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.57557E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.200 2.200 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.57547E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.900 3.000 1.100 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.57338E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.200 2.200 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.57254E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.100 2.100 1.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.57229E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.900 1.900 1.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.57076E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.56902E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 4.500 2.600 1.500 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.56543E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.56472E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.56335E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.55789E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.300 1.300 1.300 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 2.900 1.000 1.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.700 0.900 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1362} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HN )) 3.200 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.059 ppm2 7.543 CV 1 ASSI { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.500 3.500 2.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.288 ppm2 1.696 CV 1 OR { 1363} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.600 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.600 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.600 1.600 1.600 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.500 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.200 1.200 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.300 1.400 1.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.34054E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.300 0.700 0.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.000 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.200 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.400 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.300 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.800 0.800 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.300 1.400 1.400 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.200 1.300 1.300 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.200 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.200 1.300 1.300 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.400 1.400 1.400 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.800 1.000 1.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1444} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 2.900 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.400 ppm2 9.191 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.900 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.34073E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.300 1.400 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.800 0.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.100 3.100 2.900 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.000 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 3.200 2.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 1.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.300 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.900 0.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.100 1.200 1.200 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.400 1.400 1.400 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.400 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.500 1.500 1.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1476} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.400 1.500 1.500 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.406 ppm2 1.227 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.400 3.400 2.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.200 3.200 2.800 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.800 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.600 1.600 1.600 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.400 1.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.900 2.900 3.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.400 1.500 1.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.300 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.100 1.100 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.300 2.300 3.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.500 3.500 2.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) 3.400 1.400 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.000 1.100 1.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) 2.800 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.800 0.900 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.600 3.600 2.400 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.900 2.900 3.100 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.200 3.200 2.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 2.900 2.900 3.100 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.400 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.200 3.200 2.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 3.400 2.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.600 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.500 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.400 1.500 1.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.600 1.600 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.926 ppm2 0.405 CV 1 OR { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 2.300 0.700 0.700 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.800 2.800 3.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1568} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 2.800 2.800 3.200 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.469 ppm2 2.408 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.400 1.400 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.100 3.100 2.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.500 1.500 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.800 1.800 1.800 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.000 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.900 2.900 3.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1583} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.852 ppm2 2.963 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1586} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 104 and name HD1%) 3.400 1.400 1.400 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.914 ppm2 0.954 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.500 1.500 1.500 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.900 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.100 1.200 1.200 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 2.300 3.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.200 1.200 1.200 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.700 1.700 1.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.200 3.200 2.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.900 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.900 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.34160E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.600 1.700 1.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.82248E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.82280E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.82319E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.81152E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.81152E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 113} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 2.400 2.400 3.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.81152E-02 ppm1 5.518 ppm2 2.821 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 2.000 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.82119E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 173} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 38 and name HA )) 1.600 1.600 4.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.22992E-01 ppm1 3.883 ppm2 3.881 CV 1 OR { 173} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 38 and name HA )) ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.22551E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.81287E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.81287E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) 2.100 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.81287E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG2 )) 1.800 0.400 0.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19064E-01 ppm1 1.680 ppm2 1.415 CV 1 OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 253} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15780E-01 ppm1 1.989 ppm2 1.788 CV 1 OR { 253} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HB2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.81429E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13432E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.81461E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11320E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.100 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.346 ppm2 1.779 CV 1 OR { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB2 )) OR { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB1 )) OR { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 323} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HB2 )) 2.100 0.500 0.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.415 ppm2 1.794 CV 1 OR { 323} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HB2 )) ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) 2.400 2.400 3.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10310E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.300 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.200 2.200 3.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 345} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HB )) 2.100 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10078E-01 ppm1 0.862 ppm2 1.752 CV 1 OR { 345} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HB )) ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.98682E-02 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.98012E-02 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.97476E-02 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 357} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.341 ppm2 0.980 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.96419E-02 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.100 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 363} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HB )) 2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.95239E-02 ppm1 0.979 ppm2 1.824 CV 1 OR { 363} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HB )) ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) 2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.81603E-02 ppm1 1.245 ppm2 0.917 CV 1 ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.92338E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.600 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.81629E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.89514E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB2 )) 2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.87264E-02 ppm1 0.863 ppm2 1.651 CV 1 OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HB1 )) OR { 403} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 404} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HB2 )) 2.300 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.86838E-02 ppm1 0.873 ppm2 1.725 CV 1 OR { 404} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.81629E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.86419E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 1.900 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.81739E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.85227E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 416} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HB2 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.81739E-02 ppm1 2.691 ppm2 2.601 CV 1 ASSI { 419} (( segid " 1SG" and resid 1 and name HB2 )) (( segid " 1SG" and resid 97 and name HB2 )) 2.500 2.500 3.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.81739E-02 ppm1 2.599 ppm2 2.691 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.100 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.82841E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.82203E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) 2.100 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.80636E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.81874E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.78534E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.76097E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 460} (( segid " 1SG" and resid 50 and name HB2 )) (( segid " 1SG" and resid 50 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.81874E-02 ppm1 4.031 ppm2 3.944 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.74298E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.81874E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.71558E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.71307E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.70836E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 483} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 16 and name HG2%) 2.200 0.600 0.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.70778E-02 ppm1 0.982 ppm2 0.618 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.70185E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.69399E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 2.000 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.82280E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.81906E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.200 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.67929E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.67600E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.67381E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.67090E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.200 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.66181E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.65943E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.81932E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 536} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.65079E-02 ppm1 0.835 ppm2 3.900 CV 1 OR { 536} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.64963E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.64840E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 547} ( segid " 1SG" and resid 33 and name HD2%) (( segid " 1SG" and resid 33 and name HA )) 2.600 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.64602E-02 ppm1 0.873 ppm2 4.455 CV 1 OR { 547} ( segid " 1SG" and resid 33 and name HD1%) (( segid " 1SG" and resid 33 and name HA )) ASSI { 548} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 29 and name HB% ) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.81932E-02 ppm1 0.819 ppm2 1.521 CV 1 ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.63015E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.61995E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.100 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.61366E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.300 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.61129E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.60827E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.60052E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.60004E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 0.826 ppm2 0.616 CV 1 OR { 589} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 592} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG2%) 2.200 0.600 0.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.59070E-02 ppm1 2.134 ppm2 1.084 CV 1 ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 0.676 ppm2 0.417 CV 1 OR { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 2.000 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.58238E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 2.400 2.400 3.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.57378E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 612} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HB )) 2.300 0.600 0.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.57312E-02 ppm1 1.013 ppm2 1.941 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.57142E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.56643E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.56124E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.100 0.600 0.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.55708E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.55182E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.54336E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 638} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 26 and name HB% ) 1.900 1.900 4.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 0.410 ppm2 1.483 CV 1 OR { 638} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 26 and name HB% ) ASSI { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.52600E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.52420E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 650} (( segid " 1SG" and resid 4 and name HG12)) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 2.800 3.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.52418E-02 ppm1 1.248 ppm2 1.588 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.52204E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.52054E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.51923E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.51822E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.400 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.50221E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.50088E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.49550E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) 2.500 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.49549E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.49459E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.49450E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.000 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.49268E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.49003E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) 2.300 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG2 )) 2.400 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.48275E-02 ppm1 3.029 ppm2 1.285 CV 1 OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG2 )) OR { 698} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 68 and name HG1 )) OR { 698} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.81990E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD1%) 2.800 2.800 3.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.47059E-02 ppm1 0.712 ppm2 0.620 CV 1 OR { 711} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.47059E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 725} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.82145E-02 ppm1 0.856 ppm2 1.270 CV 1 ASSI { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) 2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.46117E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.45738E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.45596E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.82248E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.45110E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.44462E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.44295E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.44072E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.43549E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 775} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.43486E-02 ppm1 1.047 ppm2 4.663 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.43428E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.43410E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 778} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.300 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.43373E-02 ppm1 -0.446 ppm2 0.165 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.43161E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.43039E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.42620E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.42617E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.42562E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 2.600 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.42388E-02 ppm1 0.651 ppm2 0.165 CV 1 ASSI { 802} (( segid " 1SG" and resid 79 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 2.300 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.42342E-02 ppm1 3.689 ppm2 1.194 CV 1 ASSI { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) 2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.42301E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.100 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.42037E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 813} (( segid " 1SG" and resid 45 and name HB2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.700 2.700 3.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.41928E-02 ppm1 0.614 ppm2 0.987 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.41848E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 816} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.41742E-02 ppm1 0.628 ppm2 1.196 CV 1 ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.41670E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.41160E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.40854E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.300 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.39908E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.39546E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.39535E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 845} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HA )) 2.400 0.700 0.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.39172E-02 ppm1 0.784 ppm2 5.116 CV 1 ASSI { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.500 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.38889E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.38670E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.38297E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 859} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 16 and name HG2%) 2.500 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.38119E-02 ppm1 0.837 ppm2 0.615 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.38034E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 866} (( segid " 1SG" and resid 55 and name HG2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.37796E-02 ppm1 1.990 ppm2 4.001 CV 1 OR { 866} (( segid " 1SG" and resid 55 and name HG1 )) (( segid " 1SG" and resid 55 and name HA )) ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.37670E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 873} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 91 and name HG2%) 2.400 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.37416E-02 ppm1 1.132 ppm2 0.172 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.36896E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.36773E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.36753E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 2.400 3.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.36430E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 895} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.36392E-02 ppm1 0.800 ppm2 1.561 CV 1 ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.36376E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.300 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.36335E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.600 0.800 0.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.36144E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.35645E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.200 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.35356E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.35149E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.34393E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.300 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.34392E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.34332E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.300 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.34301E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.100 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34000E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.33540E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 947} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.33339E-02 ppm1 1.819 ppm2 0.980 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.400 0.700 0.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.33272E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.33236E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.33210E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.300 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.33160E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.32732E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) 2.700 2.700 3.300 peak 965 spectrum 1 weight 0.10000E+01 volume 0.32684E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.32627E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.600 0.800 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.32499E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.32281E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.32118E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.31755E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.31658E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 989} ( segid " 1SG" and resid 71 and name HD2%) (( segid " 1SG" and resid 69 and name HB )) 2.200 2.200 3.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.31621E-02 ppm1 0.748 ppm2 1.766 CV 1 ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.31616E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.500 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.31584E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.31563E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.31481E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.30933E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1006} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.30885E-02 ppm1 5.429 ppm2 1.472 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.30845E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.30808E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.30752E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.30450E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.30391E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.30342E-02 ppm1 4.150 ppm2 0.966 CV 1 OR { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1037} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HA )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.29836E-02 ppm1 0.180 ppm2 4.756 CV 1 OR { 1037} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HA )) ASSI { 1038} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 52 and name HB2 )) 2.200 2.200 3.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.29833E-02 ppm1 2.169 ppm2 1.731 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.29470E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1051} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.000 3.000 3.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.29361E-02 ppm1 1.331 ppm2 0.856 CV 1 OR { 1051} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1052} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HG12)) 2.300 0.700 0.700 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.29329E-02 ppm1 0.681 ppm2 1.096 CV 1 ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.400 2.400 3.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.29244E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.600 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.29209E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.28350E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1078} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HG2%) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.28166E-02 ppm1 1.936 ppm2 0.826 CV 1 ASSI { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.28107E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) 2.800 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.28053E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.28045E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.28010E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.27783E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.27701E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.27614E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.27335E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.27130E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27051E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.26990E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1117} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 28 and name HG1%) 2.600 0.800 0.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.26821E-02 ppm1 0.175 ppm2 0.822 CV 1 OR { 1117} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 28 and name HG1%) ASSI { 1118} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 1.324 ppm2 0.983 CV 1 OR { 1118} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.26522E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.26458E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.26331E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1151} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.25937E-02 ppm1 3.513 ppm2 1.007 CV 1 ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 2.600 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.25935E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.25925E-02 ppm1 5.494 ppm2 2.015 CV 1 OR { 1154} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.25870E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.25641E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.800 1.000 1.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.25116E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.24942E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.500 0.800 0.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.24849E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1190} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 1 and name HA )) 2.900 2.900 3.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.24838E-02 ppm1 2.684 ppm2 4.619 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 2.300 3.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.24810E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.24772E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) 3.000 3.000 3.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.24226E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) ASSI { 1203} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 106 and name HB )) 3.100 1.200 1.200 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.24219E-02 ppm1 4.003 ppm2 1.861 CV 1 ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.600 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.23799E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.23706E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.23529E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.23227E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.600 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.23185E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1242} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HG )) 2.500 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.23128E-02 ppm1 1.333 ppm2 0.743 CV 1 OR { 1242} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HG )) ASSI { 1243} (( segid " 1SG" and resid 22 and name HG12)) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.23092E-02 ppm1 0.102 ppm2 0.551 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) 2.600 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.23065E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.500 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.23029E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.600 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.22896E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.22837E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.22764E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.100 3.100 2.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.22411E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.22318E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.700 0.900 0.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.22177E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.22132E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 3.000 3.000 3.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 0.928 ppm2 0.476 CV 1 OR { 1286} ( segid " 1SG" and resid 8 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.600 2.600 3.400 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1295} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 79 and name HB% ) 2.800 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.21872E-02 ppm1 0.828 ppm2 1.193 CV 1 ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.21743E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) 2.900 1.000 1.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.21740E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.21676E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.21478E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1323} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 2.535 ppm2 4.651 CV 1 ASSI { 1327} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HD2 )) 2.500 2.500 3.500 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 3.032 ppm2 2.376 CV 1 OR { 1327} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HD2 )) ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21148E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.21061E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21003E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1343} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HA )) 2.600 0.800 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.20941E-02 ppm1 1.791 ppm2 4.667 CV 1 OR { 1343} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.20776E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1353} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.20764E-02 ppm1 0.836 ppm2 1.210 CV 1 ASSI { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.100 1.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.20625E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.20448E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.800 0.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.20442E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.600 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.20226E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) 2.900 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.20210E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.19993E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1397} (( segid " 1SG" and resid 22 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 2.700 0.900 0.900 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.19833E-02 ppm1 1.541 ppm2 0.551 CV 1 ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.19773E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.600 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.19734E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.19702E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.19655E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.19609E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.19341E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.19327E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HG2 )) 3.500 3.500 2.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.19261E-02 ppm1 0.929 ppm2 1.379 CV 1 OR { 1428} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19220E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.19203E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.19190E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.400 1.500 1.500 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) 3.100 3.100 2.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.18870E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.700 0.900 0.900 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.18869E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.18764E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.900 0.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.18660E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.18524E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.18518E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 3.200 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.18498E-02 ppm1 0.863 ppm2 0.419 CV 1 OR { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.18461E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1493} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 2.600 0.900 0.900 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18293E-02 ppm1 5.515 ppm2 3.764 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.18289E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18257E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.18169E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.700 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18071E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.17987E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.17968E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1518} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 94 and name HA )) 3.200 3.200 2.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.17954E-02 ppm1 4.293 ppm2 4.063 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.17860E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.900 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.17785E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.17651E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.600 1.600 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1580} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 63 and name HB2 )) 2.800 2.800 3.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.16979E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1589} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 3.000 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.16938E-02 ppm1 0.491 ppm2 1.039 CV 1 ASSI { 1598} (( segid " 1SG" and resid 53 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.16802E-02 ppm1 4.052 ppm2 1.467 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) 2.900 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.16579E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.16575E-02 ppm1 -0.817 ppm2 0.626 CV 1 OR { 1617} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.16528E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 3.200 2.800 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.16392E-02 ppm1 1.820 ppm2 0.552 CV 1 ASSI { 1634} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.300 3.300 2.700 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 0.832 ppm2 1.231 CV 1 ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.16274E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.000 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1643} (( segid " 1SG" and resid 45 and name HB2 )) (( segid " 1SG" and resid 45 and name HA )) 3.000 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.16179E-02 ppm1 0.604 ppm2 3.498 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 3.000 1.100 1.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1657} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 48 and name HB2 )) 2.500 2.500 3.500 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 1.575 ppm2 2.922 CV 1 OR { 1657} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 48 and name HB2 )) ASSI { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.15919E-02 ppm1 1.094 ppm2 0.621 CV 1 OR { 1660} (( segid " 1SG" and resid 76 and name HG12)) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.15789E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.800 1.000 1.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.15762E-02 ppm1 1.737 ppm2 1.330 CV 1 OR { 1674} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.15591E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) 3.000 1.100 1.100 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.15506E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) 3.300 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.15453E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.200 1.200 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.15447E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 4.518 ppm2 4.230 CV 1 OR { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15228E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.500 2.500 3.500 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.800 1.000 1.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15203E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1748} (( segid " 1SG" and resid 23 and name HB )) (( segid " 1SG" and resid 23 and name HA )) 2.900 1.000 1.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.14973E-02 ppm1 3.583 ppm2 5.116 CV 1 ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) (( segid " 1SG" and resid 52 and name HB2 )) 3.300 3.300 2.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.14780E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.800 1.000 1.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.14732E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.14684E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.14580E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.14559E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.200 3.200 2.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.14470E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.800 1.000 1.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.14375E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14375E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.000 1.100 1.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.14334E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1826} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 93 and name HG2%) 3.300 1.300 1.300 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14219E-02 ppm1 0.186 ppm2 1.045 CV 1 OR { 1826} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.100 1.200 1.200 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14061E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.13907E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.13714E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.13689E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.000 1.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.13652E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) 3.300 3.300 2.700 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.13637E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1886} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 79 and name HB% ) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.13631E-02 ppm1 3.516 ppm2 1.196 CV 1 ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.13624E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.13620E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1895} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD1%) 2.800 1.000 1.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.13577E-02 ppm1 1.341 ppm2 0.677 CV 1 ASSI { 1898} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HB2 )) 3.200 1.300 1.300 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 3.862 ppm2 1.730 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.600 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.13524E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.900 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.13428E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.900 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.13424E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1924} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 57 and name HB2 )) 3.200 3.200 2.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.13216E-02 ppm1 1.237 ppm2 1.469 CV 1 ASSI { 1932} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.13179E-02 ppm1 0.616 ppm2 0.865 CV 1 OR { 1932} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.000 1.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13158E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1941} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.13097E-02 ppm1 1.468 ppm2 0.658 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.500 2.500 3.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13039E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) 3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13023E-02 ppm1 0.980 ppm2 3.114 CV 1 OR { 1953} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD2 )) OR { 1953} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.000 1.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13008E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) 3.400 1.400 1.400 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.12970E-02 ppm1 4.545 ppm2 1.245 CV 1 OR { 1958} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1963} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 3.300 1.300 1.300 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 1.045 ppm2 4.982 CV 1 ASSI { 1969} (( segid " 1SG" and resid 12 and name HB2 )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 2.900 3.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.12891E-02 ppm1 1.944 ppm2 0.544 CV 1 ASSI { 1970} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) 3.500 1.500 1.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 0.115 ppm2 3.907 CV 1 ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.600 1.600 1.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.600 0.900 0.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 2.700 0.900 0.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.12640E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2003} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 3.100 1.200 1.200 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 0.757 ppm2 1.744 CV 1 ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.12538E-02 ppm1 4.352 ppm2 0.547 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12480E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.12476E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 2.800 3.200 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.12465E-02 ppm1 3.019 ppm2 1.361 CV 1 OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HG2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE1 )) (( segid " 1SG" and resid 37 and name HB2 )) OR { 2018} (( segid " 1SG" and resid 68 and name HE2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 3.100 1.200 1.200 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 2.900 1.000 1.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12400E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) 3.000 1.100 1.100 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.12267E-02 ppm1 2.191 ppm2 0.964 CV 1 OR { 2045} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 2045} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 3.300 2.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12082E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2073} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.800 1.000 1.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 0.676 ppm2 7.166 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.11985E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.11976E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.200 3.200 2.800 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 3.000 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.11678E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2138} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.11581E-02 ppm1 3.867 ppm2 1.568 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11503E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11351E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.100 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11260E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.300 1.300 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11240E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.100 1.200 1.200 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11090E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2230} (( segid " 1SG" and resid 43 and name HE2 )) ( segid " 1SG" and resid 47 and name HG1%) 3.000 1.100 1.100 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 2.519 ppm2 0.999 CV 1 ASSI { 2232} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HA )) 3.000 1.100 1.100 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 0.551 ppm2 4.359 CV 1 OR { 2232} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) ASSI { 2236} ( segid " 1SG" and resid 16 and name HG1%) (( segid " 1SG" and resid 22 and name HG12)) 3.400 3.400 2.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 0.978 ppm2 0.115 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.10984E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2245} (( segid " 1SG" and resid 13 and name HA )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 5.374 ppm2 5.527 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.10926E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2256} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HG )) 3.200 1.200 1.200 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.10920E-02 ppm1 4.298 ppm2 0.927 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 2.900 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) 3.300 1.300 1.300 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.10869E-02 ppm1 3.862 ppm2 1.350 CV 1 OR { 2267} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 3.600 2.400 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.300 3.300 2.700 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.10779E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.10722E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.10701E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.10677E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.500 1.500 1.500 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.600 1.600 1.600 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2309} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 49 and name HA )) 3.500 3.500 2.500 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.10604E-02 ppm1 4.570 ppm2 3.884 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.300 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.300 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.10568E-02 ppm1 4.559 ppm2 0.871 CV 1 ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.900 1.000 1.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10470E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10451E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10416E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10349E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB1 )) 3.100 1.200 1.200 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 3.586 ppm2 1.952 CV 1 OR { 2364} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.600 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10243E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.600 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2392} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.800 1.000 1.000 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 4.138 ppm2 1.232 CV 1 ASSI { 2397} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 29 and name HB% ) 3.000 1.200 1.200 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 4.459 ppm2 1.524 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.000 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10107E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.900 1.100 1.100 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10025E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 3.500 1.600 1.600 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10013E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 2438} (( segid " 1SG" and resid 41 and name HB2 )) ( segid " 1SG" and resid 49 and name HD2%) 3.100 1.200 1.200 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.99004E-03 ppm1 3.149 ppm2 1.032 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.500 1.500 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.98476E-03 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.200 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.96928E-03 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.400 1.400 1.400 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.96284E-03 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.900 1.900 1.900 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.96116E-03 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.95768E-03 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.100 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.95175E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.94917E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.400 1.400 1.400 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.93853E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.600 3.600 2.400 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.93428E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.500 1.500 1.500 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.93150E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.91912E-03 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.500 1.600 1.600 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.91900E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.200 1.200 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.89836E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.89114E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.300 1.300 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.88972E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.500 1.500 1.500 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.88096E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.74440E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.64131E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 51} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 76 and name HD1%) 2.300 2.300 3.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 6.766 ppm2 0.633 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33222E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.400 2.400 3.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.200 2.200 3.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15933E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.100 2.100 3.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 168} ( segid " 1SG" and resid 83 and name HD% ) (( segid " 1SG" and resid 80 and name HN )) 2.100 0.500 0.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 7.090 ppm2 5.565 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66471E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.66471E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.66749E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) 2.200 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.66742E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.66742E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.300 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.58605E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.28714E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.22627E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 38} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HE22)) 1.800 0.400 0.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.16967E-01 ppm1 6.985 ppm2 6.648 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.16344E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14614E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12782E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12555E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.100 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.12395E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.100 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.12116E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11646E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10642E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.300 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10005E-01 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.200 0.600 0.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.98504E-02 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.92374E-02 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.91996E-02 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.100 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.90478E-02 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.200 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.84077E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 2.600 3.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.82153E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.77263E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.75268E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.74027E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.74013E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.300 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.73429E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.73015E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.72466E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.72010E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.71818E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.71125E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.70215E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.200 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.68901E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.68456E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.68283E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.66235E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.800 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.65971E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.65382E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.300 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.65037E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.64794E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.100 2.100 3.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.64405E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.64137E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.500 0.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.62781E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.200 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.62409E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.200 0.600 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.61438E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.200 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.59982E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.59574E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.200 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.58975E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.300 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.58062E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.57610E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.57412E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 3.200 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.57022E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.55894E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.55493E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.200 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.54541E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.54462E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.53959E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.100 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.53808E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.52672E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.52196E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.100 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.51143E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.50342E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.50092E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.49957E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.49883E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.400 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.49367E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.48971E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.48801E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.48564E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.400 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.48521E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.48481E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.48253E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.48060E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.47150E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.46961E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.46687E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.500 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.46645E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.46242E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 218} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.46012E-02 ppm1 8.593 ppm2 0.602 CV 1 ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.300 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.45867E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.45354E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.44613E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.44278E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.44211E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.42972E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 2.900 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.42843E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.42596E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.100 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.42370E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.300 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.42324E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.41731E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.40680E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.40206E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.40145E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.39901E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.39894E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.39884E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.39818E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.300 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.39093E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.39027E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.38585E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.38307E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.37471E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.36287E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.35853E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 3.000 1.100 1.100 peak 267 spectrum 1 weight 0.10000E+01 volume 0.35734E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.35600E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.200 1.200 peak 269 spectrum 1 weight 0.10000E+01 volume 0.35540E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.700 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.35426E-02 ppm1 8.855 ppm2 0.945 CV 1 OR { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.35384E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.35267E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.34523E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.34369E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.34250E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.400 3.400 2.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.34024E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.33868E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.33773E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.33690E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.33451E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.32852E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.32818E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.32550E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 3.100 1.200 1.200 peak 291 spectrum 1 weight 0.10000E+01 volume 0.32527E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.32091E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.31720E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.31714E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.31223E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.31199E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.500 1.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.31062E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 304} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.300 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.31019E-02 ppm1 8.591 ppm2 1.513 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.30920E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.900 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.30809E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.30732E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.30713E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.30707E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.30642E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.30639E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.30502E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.30252E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.29891E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.29812E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.29617E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.29600E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.29580E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.29577E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.29569E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.29200E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.29184E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 325} (( segid " 1SG" and resid 4 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.600 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.29068E-02 ppm1 8.264 ppm2 0.922 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.28915E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.700 1.800 1.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.28761E-02 ppm1 9.151 ppm2 0.400 CV 1 OR { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.28740E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.28659E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.28282E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.28240E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.27894E-02 ppm1 8.144 ppm2 3.857 CV 1 OR { 335} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.27840E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.27624E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.27582E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.27510E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.27298E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.27106E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.26968E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.26816E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 3.400 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.26804E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.600 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.26804E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.26777E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.26761E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.500 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.26695E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 4.000 2.000 2.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.26674E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.900 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.26664E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 361} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.26359E-02 ppm1 8.256 ppm2 1.312 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.600 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.26321E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.26117E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.600 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.26069E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.25942E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 2.900 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.25917E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.25848E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.25814E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.25784E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.25688E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.900 1.100 1.100 peak 374 spectrum 1 weight 0.10000E+01 volume 0.25573E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.25503E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.25424E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) 3.800 1.800 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.25361E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.25190E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 3.900 1.900 1.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.25163E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 3.000 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.25136E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.24883E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.24858E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.24827E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.24791E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.24765E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.24764E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.24684E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.500 1.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.24608E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.24464E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.24337E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.600 1.600 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.24198E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.24187E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.24019E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.23896E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.23374E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.23292E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.200 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.23288E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.23225E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.23198E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.23099E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.22993E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.22877E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.100 3.100 2.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.22802E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.22798E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.22787E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.22531E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.100 1.200 1.200 peak 431 spectrum 1 weight 0.10000E+01 volume 0.22504E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.500 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 433} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA1 )) 3.500 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.22346E-02 ppm1 9.115 ppm2 3.473 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.22337E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.300 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.22282E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.22231E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.22184E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.700 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.22182E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.100 1.200 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.21926E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.21598E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.21590E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.900 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.600 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.21455E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.21252E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.600 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.21213E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.21083E-02 ppm1 8.373 ppm2 1.365 CV 1 ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.20962E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.20882E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.000 1.100 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.20838E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.20482E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20348E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.800 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.20329E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.20250E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.20217E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.20148E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.800 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.20079E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.20061E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.500 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.20028E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.500 1.600 1.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.19870E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.19805E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.19605E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.300 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.19344E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.500 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.19343E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 492} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.800 1.800 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.19292E-02 ppm1 8.854 ppm2 0.635 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 4.200 2.200 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.19170E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.300 1.400 1.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.19091E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.19029E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 3.700 1.700 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.18962E-02 ppm1 8.591 ppm2 0.849 CV 1 OR { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.400 0.700 0.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.18828E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.18756E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.18623E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.800 1.800 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18546E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) 2.900 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.18517E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.900 1.000 1.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.18432E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.18337E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.18337E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 2.900 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.18192E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.18133E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 527} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.500 1.500 1.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 9.289 ppm2 0.785 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.17450E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.17329E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.600 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.17232E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.17217E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.17135E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.17117E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.100 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.17057E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.16997E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.16875E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.900 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.16863E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.16817E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.500 2.600 1.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.16757E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.16757E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.900 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.16717E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.300 1.400 1.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.16686E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.16606E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.000 2.000 2.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.16573E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.300 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.16360E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 4.000 2.000 2.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16227E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.200 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.200 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.15845E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.600 1.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15645E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15627E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.900 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.15541E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15523E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.15367E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.15353E-02 ppm1 8.062 ppm2 1.318 CV 1 OR { 584} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.15332E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.400 3.400 2.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.15270E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.200 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.500 1.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.15041E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.300 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.900 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.14922E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.300 1.400 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.14922E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.900 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.14800E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.100 2.100 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.14700E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.600 2.600 3.400 peak 604 spectrum 1 weight 0.10000E+01 volume 0.14609E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.300 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 4.000 2.000 2.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.14408E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.14344E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.500 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.14277E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.000 2.000 2.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.13914E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.13818E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.13786E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.000 2.000 2.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 3.800 1.800 1.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13632E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.13568E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.200 1.300 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.13516E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.600 1.600 1.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13478E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.13462E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 639} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.13432E-02 ppm1 8.593 ppm2 6.922 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13351E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.000 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.800 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.13167E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.500 1.600 1.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.13139E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 3.900 1.900 1.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) 4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.500 1.500 1.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.12980E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.400 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.12926E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.600 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.12891E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 4.100 2.100 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 655} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HG )) 3.800 1.800 1.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 8.878 ppm2 1.313 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.700 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.12840E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.000 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.12832E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.12779E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.800 3.800 2.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.12719E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12711E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.300 1.300 1.300 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.500 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.500 1.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.12557E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) 4.000 2.000 2.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.500 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.12436E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.12379E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.12330E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.200 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.500 1.500 1.500 peak 682 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 3.900 1.900 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.12276E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12266E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 2.800 3.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.12154E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 4.200 2.200 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.12147E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.12095E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.000 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12039E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.11966E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.11936E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11904E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 0.900 0.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.700 1.700 1.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.11884E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.400 2.400 1.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.11830E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.200 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11763E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.11751E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.11747E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.100 2.100 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.11714E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.800 1.800 1.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.11638E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.400 1.500 1.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.11602E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.11489E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.100 2.100 1.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.11418E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.800 1.800 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.300 1.400 1.400 peak 732 spectrum 1 weight 0.10000E+01 volume 0.11396E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.500 1.600 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.11386E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.100 2.100 1.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11314E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.500 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 3.900 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.11292E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.600 1.600 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.11245E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.400 2.500 1.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.500 1.600 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) 4.300 2.300 1.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.11041E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.600 1.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.400 1.400 1.400 peak 755 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.10912E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.300 2.300 1.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.10885E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.800 1.800 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.900 2.900 3.100 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.900 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.300 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.10694E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.400 1.500 1.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.10622E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.100 2.100 1.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.200 1.300 1.300 peak 773 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.200 1.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.10587E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) 3.200 1.200 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.500 1.600 1.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10545E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 789} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.500 1.500 1.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 7.545 ppm2 2.672 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.800 1.800 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.10380E-02 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.600 1.600 1.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.700 1.700 1.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.700 1.700 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10247E-02 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.10188E-02 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.10136E-02 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.300 2.300 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.10111E-02 ppm1 8.593 ppm2 0.934 CV 1 OR { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.900 1.900 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.800 2.900 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.99936E-03 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.400 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.99829E-03 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.600 1.600 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.99772E-03 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.99651E-03 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.800 1.800 1.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.99630E-03 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) 3.400 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.300 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.99387E-03 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.300 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.99366E-03 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.99188E-03 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.98988E-03 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.98268E-03 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.300 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.98247E-03 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 4.400 2.500 1.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.98140E-03 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 827} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HN )) 3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.97969E-03 ppm1 8.888 ppm2 7.891 CV 1 ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.200 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.97841E-03 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.10000E+01 volume 0.97748E-03 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.600 2.600 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.97484E-03 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.900 1.900 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.97477E-03 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.97406E-03 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.97164E-03 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 834} (( segid " 1SG" and resid 5 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.300 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.97092E-03 ppm1 8.145 ppm2 0.907 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.96650E-03 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.300 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.96544E-03 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.900 1.900 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.96451E-03 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.96066E-03 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 4.000 2.000 2.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.95952E-03 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 845} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.100 2.100 1.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.95866E-03 ppm1 8.725 ppm2 2.890 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.500 1.500 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.95539E-03 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.95275E-03 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.94455E-03 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.94427E-03 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 3.900 1.900 1.900 peak 854 spectrum 1 weight 0.10000E+01 volume 0.94355E-03 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 857} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.200 1.300 1.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.93921E-03 ppm1 9.289 ppm2 8.943 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.93621E-03 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.500 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.93407E-03 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.900 2.900 3.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.93308E-03 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.000 2.000 2.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.93151E-03 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.400 1.400 1.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.92944E-03 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.600 2.700 1.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.92908E-03 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.92773E-03 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 4.200 2.200 1.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.92253E-03 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.200 2.200 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.92174E-03 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.900 2.900 3.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.91946E-03 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.91889E-03 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.200 2.300 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.91654E-03 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.100 2.100 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.91397E-03 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.500 1.600 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.91319E-03 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.91255E-03 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.90720E-03 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.90506E-03 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.90236E-03 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 890} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.90164E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.900 1.900 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.90057E-03 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.90022E-03 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.89787E-03 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.89751E-03 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 4.400 2.400 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.89715E-03 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.200 2.200 1.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.89623E-03 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.500 1.500 1.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.89573E-03 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.900 1.900 1.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.89480E-03 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.89209E-03 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.89109E-03 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 4.000 2.000 2.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.89109E-03 ppm1 6.897 ppm2 1.262 CV 1 OR { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.88454E-03 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.700 3.700 2.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.88190E-03 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.400 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.87976E-03 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.87741E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.300 2.300 1.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.87606E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.800 1.800 1.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.87306E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.87285E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 4.200 2.200 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.87071E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.86558E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.86479E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 3.600 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.86451E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.300 2.300 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.85781E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.600 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.85774E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.85702E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.85211E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.84712E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.100 2.100 1.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.84163E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.700 1.800 1.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.83970E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.83507E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.83407E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.600 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.83372E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 4.200 2.200 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.83279E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.200 1.300 1.300 peak 963 spectrum 1 weight 0.10000E+01 volume 0.82381E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.200 1.300 1.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.82260E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.81946E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 4.000 2.000 2.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.81732E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) 4.000 2.000 2.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.81483E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.800 2.900 1.200 peak 972 spectrum 1 weight 0.10000E+01 volume 0.81462E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 973} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.500 1.600 1.600 peak 973 spectrum 1 weight 0.10000E+01 volume 0.81433E-03 ppm1 8.401 ppm2 1.329 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.81233E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.81091E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.000 2.000 2.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.80670E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.80285E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 4.000 2.000 2.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.80264E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.400 1.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.79658E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.79102E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.79074E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.79045E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.100 2.100 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.79010E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.78831E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.78696E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.78618E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.78062E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.77784E-03 ppm1 9.673 ppm2 0.941 CV 1 OR { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.77670E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.77050E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.800 1.800 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.76993E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.000 2.000 2.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.76772E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 4.400 2.400 1.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.76757E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.300 2.300 1.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.76750E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.76579E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.76536E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.300 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.76486E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.76372E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.600 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.76116E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.800 1.800 1.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.75952E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.75724E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.100 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.75674E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.000 2.000 2.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.75531E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.700 1.700 1.700 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.75118E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 4.200 2.200 1.800 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.75068E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 3.600 1.600 1.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.74925E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.400 1.500 1.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.74918E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.100 2.100 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.74370E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.74149E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.700 2.800 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.73821E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.100 2.100 1.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.73764E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 4.000 2.000 2.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.73536E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.73507E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.900 1.900 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.73400E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.600 1.600 1.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.73008E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.72730E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.72709E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.72481E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 4.600 2.700 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.72331E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.72210E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.000 2.000 2.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.71982E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.71946E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1056} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 102 and name HN )) 3.300 1.400 1.400 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.71839E-03 ppm1 9.110 ppm2 8.555 CV 1 ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.700 1.700 1.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.71789E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.71497E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.71461E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.600 1.600 1.600 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.71362E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.71265E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.900 1.900 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.70884E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.800 1.800 1.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.70302E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1073} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.69948E-03 ppm1 9.828 ppm2 8.006 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.69516E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.69461E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.69355E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.500 1.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.69288E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.000 2.000 2.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.69256E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.69236E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 4.500 2.500 1.500 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.69181E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.400 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.69159E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.69069E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.600 1.600 1.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.68906E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.400 2.400 1.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.68518E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 3.800 1.800 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.67552E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.67423E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.100 2.100 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.67380E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1103} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.400 2.500 1.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.66788E-03 ppm1 8.925 ppm2 9.242 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.200 2.200 1.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.66709E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 4.400 2.400 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.66702E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.400 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.66513E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 4.900 3.000 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.65907E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.000 2.000 2.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.65598E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.900 1.900 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.65293E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.500 2.600 1.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.65162E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.64992E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.900 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.64781E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.000 2.100 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.64616E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.800 2.900 1.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.64546E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.200 2.200 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.64233E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.64129E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) 4.400 2.400 1.600 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.64031E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.63844E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.63832E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.600 2.600 1.400 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.63753E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 4.200 2.200 1.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.63645E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1140} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.800 1.800 1.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.63543E-03 ppm1 5.578 ppm2 7.113 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.200 2.200 1.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.63165E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.900 1.900 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.63099E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) 3.500 3.500 2.500 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.62982E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.62958E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1151} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 4.000 2.000 2.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.62900E-03 ppm1 8.397 ppm2 0.598 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.200 2.200 1.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.62549E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.62506E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.62301E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.600 2.600 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.62295E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.400 2.400 1.600 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.62219E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.800 2.900 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.62073E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.62012E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.500 2.500 1.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.61977E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.600 2.600 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.61799E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.600 2.700 1.400 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.61669E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 4.100 2.100 1.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.61660E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 3.900 3.900 2.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.61600E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.200 2.200 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.61585E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.100 2.100 1.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.61417E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 4.800 2.900 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.61409E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.800 1.800 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.61408E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.600 2.700 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.61344E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 4.000 2.000 2.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.61040E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.400 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.61016E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.60925E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.60727E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) 4.400 2.400 1.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.60485E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.500 2.600 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.60307E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.300 2.300 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.60248E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 5.000 3.100 1.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.60126E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.60017E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.000 2.000 2.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.59891E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.300 2.300 1.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.59605E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.500 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.59590E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1213} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 4.200 2.200 1.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.59270E-03 ppm1 8.211 ppm2 1.213 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 4.700 2.800 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.59244E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.59063E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 4.200 2.200 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.58957E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.58942E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.600 1.600 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.58721E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.300 2.300 1.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.58683E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 5.200 3.400 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.58649E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.58603E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.58479E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.800 1.800 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.58239E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 4.100 2.100 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.57985E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.400 2.400 1.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.57972E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.57962E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.600 2.700 1.400 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.57595E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 4.300 2.300 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.57454E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.300 2.300 1.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.57421E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.57253E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.300 2.300 1.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.57190E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.57124E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.57096E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1253} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 72 and name HE% ) 4.100 2.100 1.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.56981E-03 ppm1 7.893 ppm2 7.055 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.56673E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.800 2.900 1.200 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.56578E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1263} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.500 2.500 1.500 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.56332E-03 ppm1 9.448 ppm2 0.742 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 5.400 3.700 0.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.56231E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.56142E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.56136E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.56116E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.800 2.800 1.200 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.56044E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 5.000 3.100 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.56004E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.500 2.500 1.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.55972E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 4.000 2.000 2.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.55921E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.000 2.000 2.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.55909E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.55173E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.100 2.100 1.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.55171E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.55168E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.800 2.900 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.55135E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.55117E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.400 2.500 1.600 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.54931E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1293} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 3.700 1.700 1.700 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.54890E-03 ppm1 7.469 ppm2 2.694 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 3.900 1.900 1.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.54708E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 4.500 2.600 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.54700E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.54657E-03 ppm1 8.737 ppm2 1.365 CV 1 ASSI { 1299} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.600 2.700 1.400 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.54641E-03 ppm1 8.875 ppm2 0.650 CV 1 ASSI { 1301} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 4.400 2.400 1.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.54627E-03 ppm1 8.826 ppm2 8.159 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.100 2.100 1.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.54515E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.500 2.600 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.54203E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1307} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 4.300 2.300 1.700 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.54141E-03 ppm1 8.856 ppm2 9.676 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.54030E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 3.900 1.900 1.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.54017E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.53989E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1312} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.53876E-03 ppm1 9.149 ppm2 1.436 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.600 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.53747E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.200 2.200 1.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.53737E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 4.700 2.800 1.300 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.53542E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.53464E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.200 2.200 1.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.53441E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.800 1.800 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.53297E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.53135E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 3.700 1.700 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.52800E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.200 2.200 1.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.52734E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.500 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.52605E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.500 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.52096E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.300 1.400 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.400 1.400 1.400 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.900 1.100 1.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.600 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.300 1.300 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1362} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HN )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.059 ppm2 7.543 CV 1 ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.400 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.800 0.900 0.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.700 0.900 0.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.500 1.500 1.500 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.600 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.500 1.600 1.600 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.300 1.400 1.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.700 0.900 0.900 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.900 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.400 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.600 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 2.800 1.000 1.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.200 1.200 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.300 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.300 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.200 1.300 1.300 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.300 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.200 1.300 1.300 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.600 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.800 1.000 1.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.400 1.500 1.500 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.900 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.600 1.600 1.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.800 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.300 1.400 1.400 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.200 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.500 1.500 1.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.800 1.000 1.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.900 1.000 1.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1444} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.000 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.400 ppm2 9.191 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.900 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.31817E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) 2.700 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.300 1.400 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.000 3.000 3.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.000 1.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 3.300 2.700 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.200 3.200 2.800 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.800 1.800 1.800 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.31833E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.200 1.300 1.300 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.600 1.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.300 3.300 2.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.200 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.500 1.600 1.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 2.800 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.200 1.300 1.300 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.200 1.300 1.300 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.300 3.300 2.700 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.300 1.400 1.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) 3.700 1.700 1.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1483} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 3.200 3.200 2.800 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.878 ppm2 0.784 CV 1 ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.100 1.200 1.200 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.400 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.500 1.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.400 2.400 3.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.400 1.500 1.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.600 1.600 1.600 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 1.300 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.100 1.200 1.200 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.600 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.400 2.400 3.600 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1506} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.000 1.200 1.200 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.827 ppm2 0.599 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 1.500 1.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.400 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.300 3.300 2.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) 3.300 1.400 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.800 2.800 3.200 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.000 3.000 3.000 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.500 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.700 3.700 2.300 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1530} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 3.000 3.000 3.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.450 ppm2 5.073 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.100 3.100 2.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.900 1.900 1.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 3.300 3.300 2.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.400 1.500 1.500 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.600 1.600 1.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.200 3.200 2.800 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 3.300 2.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1551} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.500 1.600 1.600 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.495 ppm2 0.760 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.600 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.200 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.600 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.300 1.400 1.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.700 1.700 1.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.926 ppm2 0.405 CV 1 OR { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.100 1.200 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 3.100 1.200 1.200 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 2.600 0.800 0.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 2.800 2.800 3.200 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.300 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.300 1.400 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.300 1.400 1.400 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.100 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.500 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.900 2.900 3.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.300 1.400 1.400 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.500 1.500 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.500 1.500 1.500 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.600 0.900 0.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.800 2.800 3.200 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.892 ppm2 1.363 CV 1 ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.300 1.300 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.31834E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.500 1.500 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 3.000 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1596} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 8.415 ppm2 2.581 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.100 1.200 1.200 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.200 1.300 1.300 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.600 1.700 1.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.100 3.100 2.900 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.900 1.100 1.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.31898E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.400 1.500 1.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.31882E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.91027E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.100 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.91098E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 40} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) 2.100 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.91055E-02 ppm1 5.471 ppm2 1.987 CV 1 OR { 40} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.400 2.400 3.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.89808E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 49} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.89808E-02 ppm1 5.469 ppm2 4.978 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.89808E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 134} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 1 and name HB2 )) 2.200 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 4.624 ppm2 2.609 CV 1 ASSI { 155} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 9 and name HG2 )) 2.300 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 4.653 ppm2 2.522 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 2.100 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.90877E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 167} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 4.550 ppm2 1.286 CV 1 OR { 167} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 173} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 38 and name HA )) 1.600 1.600 4.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.25445E-01 ppm1 3.883 ppm2 3.881 CV 1 OR { 173} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 38 and name HA )) ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.24957E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.000 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.89958E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG1 )) 1.800 0.400 0.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.21098E-01 ppm1 1.680 ppm2 1.415 CV 1 OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 219} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HG1 )) 1.900 0.400 0.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.21044E-01 ppm1 1.784 ppm2 1.983 CV 1 OR { 219} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HG2 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.90114E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.14865E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.500 0.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.90150E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.12527E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.100 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.346 ppm2 1.779 CV 1 OR { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB1 )) OR { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB2 )) OR { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 318} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 52 and name HB2 )) 2.200 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.347 ppm2 1.689 CV 1 OR { 318} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 52 and name HB2 )) ASSI { 323} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HB2 )) 2.100 0.500 0.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.415 ppm2 1.794 CV 1 OR { 323} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HB2 )) ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) 2.100 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.11410E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 336} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.200 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.673 ppm2 1.771 CV 1 OR { 336} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.300 2.300 3.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10921E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 352} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.000 0.500 0.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10861E-01 ppm1 1.368 ppm2 1.640 CV 1 OR { 352} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 352} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 352} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 353} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10847E-01 ppm1 0.980 ppm2 0.628 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.100 2.100 3.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10787E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 357} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.341 ppm2 0.980 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10670E-01 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.100 0.500 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.000 0.500 0.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 367} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 28 and name HG2%) 2.100 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.10472E-01 ppm1 0.815 ppm2 0.666 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.100 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.90307E-02 ppm1 1.245 ppm2 0.917 CV 1 OR { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10218E-01 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.90335E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 385} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG1%) 1.900 1.900 4.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.90335E-02 ppm1 1.327 ppm2 0.929 CV 1 OR { 385} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.99060E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.90335E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.200 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.95638E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.90464E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.94320E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.93087E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.000 0.500 0.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.91675E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.90970E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.100 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.89238E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) 2.200 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.90606E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.100 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.86914E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 449} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.90606E-02 ppm1 0.863 ppm2 1.307 CV 1 ASSI { 456} (( segid " 1SG" and resid 69 and name HB )) ( segid " 1SG" and resid 69 and name HG1%) 2.100 0.600 0.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.84512E-02 ppm1 1.767 ppm2 0.861 CV 1 OR { 456} (( segid " 1SG" and resid 69 and name HB )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.84213E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.82224E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.90606E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.79195E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.78910E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.77670E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 492} ( segid " 1SG" and resid 18 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.76800E-02 ppm1 0.966 ppm2 0.388 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 2.000 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.91055E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.90642E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) 2.100 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.75175E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.74811E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.74569E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.300 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.74248E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 520} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.500 2.500 3.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.90670E-02 ppm1 0.799 ppm2 2.893 CV 1 OR { 520} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.73236E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.72973E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.90670E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.300 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.71889E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.71761E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 551} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HA )) 2.200 0.600 0.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.90670E-02 ppm1 0.793 ppm2 3.901 CV 1 OR { 551} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HA )) ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.69737E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 559} (( segid " 1SG" and resid 93 and name HA )) (( segid " 1SG" and resid 93 and name HB )) 2.200 0.600 0.600 peak 559 spectrum 1 weight 0.10000E+01 volume 0.69585E-02 ppm1 4.796 ppm2 4.558 CV 1 ASSI { 561} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 43 and name HB2 )) 2.300 2.300 3.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.68707E-02 ppm1 1.588 ppm2 1.244 CV 1 OR { 561} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 563} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 106 and name HG1%) 2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.68608E-02 ppm1 0.837 ppm2 0.684 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.200 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.67912E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.300 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.67649E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.67315E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 580} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 16 and name HG2%) 2.100 0.600 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.90670E-02 ppm1 1.195 ppm2 0.629 CV 1 ASSI { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.66457E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.66405E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 590} (( segid " 1SG" and resid 55 and name HA )) (( segid " 1SG" and resid 55 and name HG2 )) 2.300 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.65429E-02 ppm1 4.000 ppm2 1.983 CV 1 OR { 590} (( segid " 1SG" and resid 55 and name HA )) (( segid " 1SG" and resid 55 and name HG1 )) ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.000 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 2.000 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.64451E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 102 and name HA )) (( segid " 1SG" and resid 102 and name HB2 )) 2.200 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.63499E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.63237E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.62686E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.62111E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.61068E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG2%) 2.300 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.60132E-02 ppm1 0.390 ppm2 0.968 CV 1 OR { 629} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 630} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 79 and name HA )) 2.200 0.600 0.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.60117E-02 ppm1 1.196 ppm2 3.690 CV 1 ASSI { 645} (( segid " 1SG" and resid 8 and name HB )) ( segid " 1SG" and resid 8 and name HG2%) 2.200 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.58345E-02 ppm1 1.825 ppm2 0.967 CV 1 OR { 645} (( segid " 1SG" and resid 8 and name HB )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.58211E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.58012E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 650} (( segid " 1SG" and resid 4 and name HG12)) (( segid " 1SG" and resid 96 and name HB2 )) 2.600 2.600 3.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.58010E-02 ppm1 1.248 ppm2 1.588 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.57772E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.57607E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) OR { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.57461E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.57350E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.56545E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 662} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HG )) 2.300 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.56139E-02 ppm1 0.671 ppm2 1.331 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) 2.300 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.55578E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.55430E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.54836E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HG2%) 2.300 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.54835E-02 ppm1 0.982 ppm2 0.547 CV 1 OR { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HD1%) ASSI { 679} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HA )) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.54735E-02 ppm1 0.996 ppm2 4.076 CV 1 ASSI { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD2%) 2.600 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.54732E-02 ppm1 4.455 ppm2 0.875 CV 1 OR { 680} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HG )) OR { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.54725E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.54523E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.54230E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.400 2.400 3.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.100 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) 2.300 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.53575E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.90735E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.52079E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) 2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.51037E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 735} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD1%) 2.400 0.700 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.50782E-02 ppm1 0.176 ppm2 0.658 CV 1 OR { 735} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) ASSI { 736} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 8 and name HB )) 1.900 1.900 4.100 peak 736 spectrum 1 weight 0.10000E+01 volume 0.90906E-02 ppm1 0.874 ppm2 1.822 CV 1 ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.000 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.50617E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.50460E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 743} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 22 and name HG2%) 2.600 0.800 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.50406E-02 ppm1 0.989 ppm2 0.551 CV 1 OR { 743} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 22 and name HD1%) ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.200 0.600 0.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.91027E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.49921E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.49205E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.49020E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.48773E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.48061E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.600 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.48040E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 781} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 18 and name HA )) 2.400 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.47910E-02 ppm1 0.966 ppm2 3.511 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.47765E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 2.800 3.200 peak 787 spectrum 1 weight 0.10000E+01 volume 0.47630E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.47163E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.47103E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG1%) 2.500 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.46910E-02 ppm1 0.651 ppm2 0.165 CV 1 OR { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) 2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.46813E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.46521E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.46312E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.300 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.46115E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 821} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HG )) 2.200 0.600 0.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.45873E-02 ppm1 1.031 ppm2 0.803 CV 1 ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.600 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.45551E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.45213E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.44166E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.43765E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.43752E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.43037E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.42795E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.42382E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 862} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.42091E-02 ppm1 0.633 ppm2 0.390 CV 1 ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.41689E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 874} (( segid " 1SG" and resid 4 and name HB )) ( segid " 1SG" and resid 4 and name HG2%) 2.300 0.700 0.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.41368E-02 ppm1 2.054 ppm2 0.917 CV 1 OR { 874} (( segid " 1SG" and resid 4 and name HB )) ( segid " 1SG" and resid 4 and name HD1%) ASSI { 877} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 55 and name HG2 )) 2.200 2.200 3.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.41161E-02 ppm1 1.820 ppm2 2.047 CV 1 OR { 877} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 55 and name HG1 )) ASSI { 880} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HA )) 2.400 0.700 0.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.40912E-02 ppm1 1.011 ppm2 3.517 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.40832E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.40696E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.40674E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) 2.400 2.400 3.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.40316E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 895} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.300 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.40275E-02 ppm1 0.800 ppm2 1.561 CV 1 ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.40256E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.300 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.40210E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.300 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.39447E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.400 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.39128E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.38898E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.38061E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.300 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.38061E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.37994E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.300 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.37960E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.100 0.500 0.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.37627E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 947} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG1%) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.36895E-02 ppm1 1.819 ppm2 0.980 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.500 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.36782E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.36753E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.36697E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.36224E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) 2.200 2.200 3.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.36171E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.36108E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.600 0.800 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.35965E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.35725E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.35545E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.35143E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 987} (( segid " 1SG" and resid 51 and name HB2 )) (( segid " 1SG" and resid 51 and name HA )) 2.600 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.35009E-02 ppm1 4.023 ppm2 4.565 CV 1 ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.34988E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.34953E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.34930E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.400 0.700 0.700 peak 993 spectrum 1 weight 0.10000E+01 volume 0.34840E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.34233E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.300 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.34136E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.34095E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1011} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 53 and name HG2%) 2.500 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.34032E-02 ppm1 0.870 ppm2 1.085 CV 1 ASSI { 1013} (( segid " 1SG" and resid 27 and name HG1 )) (( segid " 1SG" and resid 72 and name HB2 )) 2.900 2.900 3.100 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.33992E-02 ppm1 1.705 ppm2 2.865 CV 1 OR { 1013} (( segid " 1SG" and resid 27 and name HG2 )) (( segid " 1SG" and resid 72 and name HB2 )) ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.500 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.33699E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.33633E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HB )) 2.400 0.700 0.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.33329E-02 ppm1 0.825 ppm2 1.940 CV 1 ASSI { 1032} ( segid " 1SG" and resid 22 and name HG2%) ( segid " 1SG" and resid 76 and name HG2%) 2.500 0.800 0.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.33230E-02 ppm1 0.611 ppm2 0.830 CV 1 ASSI { 1035} (( segid " 1SG" and resid 6 and name HB2 )) (( segid " 1SG" and resid 6 and name HG )) 2.500 0.800 0.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.33025E-02 ppm1 0.962 ppm2 1.328 CV 1 ASSI { 1046} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 18 and name HA )) 2.400 0.700 0.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.32666E-02 ppm1 0.391 ppm2 3.516 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.32613E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.300 2.300 3.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.32364E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.600 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.32324E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) 2.500 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.31374E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.31105E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.700 0.900 0.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.31045E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.31037E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.600 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.30997E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1089} (( segid " 1SG" and resid 77 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 2.500 0.800 0.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.30958E-02 ppm1 4.662 ppm2 1.045 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.30746E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.30655E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.30251E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.800 0.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.30024E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.29937E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.29869E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1120} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.29636E-02 ppm1 3.759 ppm2 5.523 CV 1 ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.29351E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.600 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.29280E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 3.100 1.200 1.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.29277E-02 ppm1 4.623 ppm2 2.692 CV 1 ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 3.000 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.29140E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1145} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HG1 )) 2.700 0.900 0.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.28869E-02 ppm1 0.973 ppm2 2.203 CV 1 OR { 1145} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.28701E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.28630E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.28376E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.600 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) 2.600 0.900 0.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.500 0.800 0.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.27500E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 2.300 3.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.27457E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) 2.500 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.27415E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) 3.000 3.000 3.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.26810E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) ASSI { 1203} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 106 and name HB )) 3.000 1.100 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.26803E-02 ppm1 4.003 ppm2 1.861 CV 1 ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.26747E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.600 0.800 0.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.26337E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.26235E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.26149E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.26039E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1230} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.100 3.100 2.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.25876E-02 ppm1 5.567 ppm2 2.787 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.25705E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.600 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.25659E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) 2.600 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.500 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.25486E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.900 1.000 1.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.25338E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.25272E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.25193E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1266} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 14 and name HA1 )) 2.500 0.800 0.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.24951E-02 ppm1 0.548 ppm2 3.749 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.100 3.100 2.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.24942E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.24699E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1276} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) 2.500 2.500 3.500 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.24679E-02 ppm1 1.041 ppm2 1.641 CV 1 OR { 1276} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) 2.600 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.24567E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.500 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.24543E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1285} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.24493E-02 ppm1 0.964 ppm2 4.391 CV 1 OR { 1285} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.800 2.800 3.200 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.24486E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) 2.900 2.900 3.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.24327E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.700 0.900 0.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.24171E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.24147E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.600 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.24063E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) 3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.23989E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.400 1.500 1.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.23308E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.23244E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.23114E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.22992E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.100 1.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.22825E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1360} (( segid " 1SG" and resid 23 and name HA )) ( segid " 1SG" and resid 23 and name HG2%) 2.700 0.900 0.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.22760E-02 ppm1 5.129 ppm2 0.782 CV 1 ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) 2.700 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.22677E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.800 0.800 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.22629E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.600 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.22622E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.22384E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1377} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HG12)) 2.600 0.800 0.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.22376E-02 ppm1 0.918 ppm2 1.237 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.22366E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1381} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.22337E-02 ppm1 0.839 ppm2 1.251 CV 1 ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.800 0.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.22298E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1385} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.100 1.200 1.200 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.22203E-02 ppm1 1.032 ppm2 1.383 CV 1 OR { 1385} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.21905E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.21882E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.21803E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.800 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.21751E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.21701E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1412} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.800 0.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 0.409 ppm2 1.447 CV 1 OR { 1412} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.21404E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1421} (( segid " 1SG" and resid 45 and name HD1 )) ( segid " 1SG" and resid 104 and name HD2%) 2.900 2.900 3.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.21389E-02 ppm1 1.234 ppm2 0.834 CV 1 OR { 1421} (( segid " 1SG" and resid 45 and name HD2 )) ( segid " 1SG" and resid 104 and name HD2%) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.21326E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.21270E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 3.100 1.200 1.200 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.21251E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.21237E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1441} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.800 1.000 1.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.21174E-02 ppm1 1.275 ppm2 3.028 CV 1 OR { 1441} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 1441} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 1441} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 1451} ( segid " 1SG" and resid 22 and name HG2%) ( segid " 1SG" and resid 74 and name HD1%) 3.400 3.400 2.600 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.21041E-02 ppm1 0.549 ppm2 0.431 CV 1 OR { 1451} ( segid " 1SG" and resid 22 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 1451} ( segid " 1SG" and resid 22 and name HG2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.400 1.500 1.500 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.20962E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) 3.200 3.200 2.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20883E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.20882E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1459} (( segid " 1SG" and resid 57 and name HB2 )) (( segid " 1SG" and resid 57 and name HA )) 2.400 0.700 0.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.20816E-02 ppm1 1.475 ppm2 5.430 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.20765E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.900 0.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.20651E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD1%) 2.700 0.900 0.900 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.20500E-02 ppm1 4.059 ppm2 0.613 CV 1 OR { 1479} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.20493E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.20471E-02 ppm1 0.863 ppm2 0.419 CV 1 OR { 1483} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) 3.000 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.20240E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.20205E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.700 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.19999E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.19885E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.19765E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.19669E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1541} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 53 and name HB )) 3.000 3.000 3.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.19502E-02 ppm1 4.618 ppm2 2.165 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.400 1.400 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.19330E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.19296E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1572} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 18 and name HA )) 2.800 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 1.195 ppm2 3.508 CV 1 ASSI { 1580} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 7 and name HB2 )) 2.800 1.000 1.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.18790E-02 ppm1 2.281 ppm2 2.543 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18751E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1588} (( segid " 1SG" and resid 46 and name HA )) (( segid " 1SG" and resid 45 and name HA )) 2.900 2.900 3.100 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.18746E-02 ppm1 4.981 ppm2 3.520 CV 1 ASSI { 1589} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.800 1.000 1.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 0.491 ppm2 1.039 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.18533E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1613} (( segid " 1SG" and resid 6 and name HA )) (( segid " 1SG" and resid 6 and name HG )) 2.800 1.000 1.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.18402E-02 ppm1 4.455 ppm2 1.332 CV 1 ASSI { 1614} (( segid " 1SG" and resid 58 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 3.200 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.18389E-02 ppm1 4.624 ppm2 1.078 CV 1 ASSI { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) 2.800 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.18348E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.18311E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 3.100 1.200 1.200 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.18140E-02 ppm1 1.820 ppm2 0.552 CV 1 OR { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 3.200 1.300 1.300 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1655} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HD1%) 3.300 1.400 1.400 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.17702E-02 ppm1 0.793 ppm2 0.557 CV 1 OR { 1655} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HG2%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.700 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.17418E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1689} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 3.000 1.100 1.100 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.17255E-02 ppm1 4.604 ppm2 0.629 CV 1 ASSI { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD2%) 2.900 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 1.477 ppm2 0.615 CV 1 OR { 1694} (( segid " 1SG" and resid 57 and name HB2 )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1699} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 2.900 3.100 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.17115E-02 ppm1 1.308 ppm2 1.492 CV 1 OR { 1699} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HB2 )) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) 3.300 1.300 1.300 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 2.900 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.900 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.17064E-02 ppm1 4.518 ppm2 4.230 CV 1 OR { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1711} (( segid " 1SG" and resid 33 and name HB2 )) ( segid " 1SG" and resid 33 and name HD2%) 2.900 1.000 1.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.17047E-02 ppm1 1.743 ppm2 0.875 CV 1 OR { 1711} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) OR { 1711} (( segid " 1SG" and resid 33 and name HB2 )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16934E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1727} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 24 and name HE% ) 2.500 2.500 3.500 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 0.987 ppm2 7.171 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.16825E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1744} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 54 and name HA2 )) 3.100 3.100 2.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.16669E-02 ppm1 4.623 ppm2 4.318 CV 1 ASSI { 1759} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.16358E-02 ppm1 4.673 ppm2 1.796 CV 1 OR { 1759} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) ( segid " 1SG" and resid 49 and name HD1%) 2.600 0.800 0.800 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.16356E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.900 2.900 3.100 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.16303E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.16135E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 2.900 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG1%) 3.000 1.100 1.100 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.16022E-02 ppm1 1.042 ppm2 0.183 CV 1 OR { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 2.900 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.15976E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1808} (( segid " 1SG" and resid 6 and name HG )) ( segid " 1SG" and resid 6 and name HD2%) 2.800 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.15909E-02 ppm1 1.340 ppm2 0.494 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.15908E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1811} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 50 and name HA )) 2.800 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 0.869 ppm2 3.945 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 2.900 1.100 1.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.15845E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.15781E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1827} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) 2.900 1.100 1.100 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.15721E-02 ppm1 4.627 ppm2 1.339 CV 1 OR { 1827} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.15561E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.500 1.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.15552E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG2 )) 2.900 1.100 1.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 5.504 ppm2 2.280 CV 1 OR { 1870} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 1.200 1.200 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.15150E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.000 1.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.15108E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) 3.400 3.400 2.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.15092E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.15084E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.100 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.15077E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.700 0.900 0.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.15073E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.500 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 3.000 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.14860E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.900 1.100 1.100 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1919} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 80 and name HG1 )) 3.300 1.300 1.300 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.14736E-02 ppm1 4.639 ppm2 2.129 CV 1 OR { 1919} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1932} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 3.500 1.600 1.600 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.14585E-02 ppm1 0.616 ppm2 0.865 CV 1 OR { 1932} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.14562E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 2.900 3.100 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 4.620 ppm2 2.453 CV 1 OR { 1950} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.900 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.14396E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1963} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 3.200 1.300 1.300 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 1.045 ppm2 4.982 CV 1 ASSI { 1965} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 44 and name HA2 )) 3.200 3.200 2.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.14313E-02 ppm1 4.568 ppm2 3.808 CV 1 ASSI { 1966} (( segid " 1SG" and resid 57 and name HB2 )) (( segid " 1SG" and resid 53 and name HA )) 3.500 1.600 1.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 1.492 ppm2 4.054 CV 1 ASSI { 1968} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 34 and name HA )) 3.100 1.200 1.200 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.14279E-02 ppm1 4.451 ppm2 4.327 CV 1 ASSI { 1975} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 5 and name HA1 )) 2.600 2.600 3.400 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 4.659 ppm2 3.881 CV 1 OR { 1975} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 5 and name HA2 )) ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.14197E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.700 1.700 1.700 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.14024E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.600 0.800 0.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.14005E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.14000E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) 3.200 1.300 1.300 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2003} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.13892E-02 ppm1 0.757 ppm2 1.744 CV 1 ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 2.900 1.000 1.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.13875E-02 ppm1 4.352 ppm2 0.547 CV 1 OR { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HG2%) ASSI { 2007} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 57 and name HB2 )) 2.600 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 0.827 ppm2 1.423 CV 1 ASSI { 2008} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.200 1.200 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 0.923 ppm2 4.674 CV 1 ASSI { 2013} (( segid " 1SG" and resid 80 and name HG1 )) ( segid " 1SG" and resid 82 and name HB% ) 3.000 1.100 1.100 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.13826E-02 ppm1 2.167 ppm2 1.347 CV 1 OR { 2013} (( segid " 1SG" and resid 80 and name HG2 )) ( segid " 1SG" and resid 82 and name HB% ) ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.200 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13808E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 3.400 1.500 1.500 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.13729E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 2.900 1.000 1.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2043} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.200 3.200 2.800 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.13584E-02 ppm1 4.982 ppm2 2.753 CV 1 ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.13560E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG1%) 3.000 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 3.129 ppm2 0.966 CV 1 OR { 2053} (( segid " 1SG" and resid 27 and name HD2 )) ( segid " 1SG" and resid 8 and name HG1%) OR { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 2059} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.200 1.200 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 0.696 ppm2 4.231 CV 1 OR { 2059} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 84 and name HB )) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.500 3.500 2.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.13371E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 0.856 ppm2 5.839 CV 1 ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.13254E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.13181E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 3.000 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.13160E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 1.000 1.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.13029E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2115} (( segid " 1SG" and resid 97 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.900 1.000 1.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 5.275 ppm2 2.707 CV 1 ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.000 1.100 1.100 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12924E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2138} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.12816E-02 ppm1 3.867 ppm2 1.568 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.12731E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.900 1.100 1.100 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.12618E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.200 1.300 1.300 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.12547E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.100 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.12489E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.12461E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.300 1.300 1.300 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.12439E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.000 1.100 1.100 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.12393E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.100 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.12273E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.000 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12234E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.12155E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.12145E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.12091E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 3.000 1.100 1.100 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.12078E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2270} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.600 1.600 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.12004E-02 ppm1 0.784 ppm2 0.496 CV 1 ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.600 3.600 2.400 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 13 and name HA )) (( segid " 1SG" and resid 102 and name HB2 )) 2.900 1.100 1.100 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11929E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2280} (( segid " 1SG" and resid 42 and name HA )) (( segid " 1SG" and resid 42 and name HB2 )) 2.900 1.000 1.000 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 5.803 ppm2 2.501 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.200 1.200 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.300 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2295} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 83 and name HB2 )) 3.800 1.800 1.800 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 0.843 ppm2 3.209 CV 1 ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.11816E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 3.100 1.200 1.200 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2304} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.11766E-02 ppm1 1.028 ppm2 3.184 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.300 3.300 2.700 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2309} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 49 and name HA )) 3.500 3.500 2.500 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 4.570 ppm2 3.884 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11725E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.11696E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 2323} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 94 and name HG2 )) 3.500 3.500 2.500 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 4.616 ppm2 1.378 CV 1 OR { 2323} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 94 and name HG1 )) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 2.900 1.100 1.100 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.11632E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.11587E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.11566E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.200 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2348} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 49 and name HD1%) 3.600 3.600 2.400 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.11512E-02 ppm1 1.470 ppm2 1.753 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.600 1.600 1.600 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.700 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.11440E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.11360E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.11336E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2379} (( segid " 1SG" and resid 13 and name HB2 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.700 2.700 3.300 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 2.629 ppm2 1.972 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.500 1.500 1.500 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.11309E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2393} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.11255E-02 ppm1 4.124 ppm2 1.220 CV 1 ASSI { 2398} (( segid " 1SG" and resid 23 and name HA )) (( segid " 1SG" and resid 23 and name HB )) 3.100 1.200 1.200 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 5.126 ppm2 3.573 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.11179E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2407} (( segid " 1SG" and resid 72 and name HA )) (( segid " 1SG" and resid 62 and name HB2 )) 2.700 2.700 3.300 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.11177E-02 ppm1 5.378 ppm2 3.773 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) 2.900 1.000 1.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 3.400 1.500 1.500 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 21 and name HB2 )) 3.600 1.600 1.600 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB1 )) 3.200 1.300 1.300 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 1.915 ppm2 1.587 CV 1 OR { 2432} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 2436} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 3.000 1.100 1.100 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 4.768 ppm2 2.030 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) 3.300 1.400 1.400 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 2455} (( segid " 1SG" and resid 24 and name HB2 )) ( segid " 1SG" and resid 24 and name HD% ) 3.000 1.100 1.100 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 2.410 ppm2 6.966 CV 1 ASSI { 2461} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HA )) 3.200 1.300 1.300 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.10788E-02 ppm1 0.937 ppm2 4.292 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.300 1.300 1.300 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.10655E-02 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 3.900 1.900 1.900 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.700 0.900 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.000 1.100 1.100 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) 3.500 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.300 1.400 1.400 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.10503E-02 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.300 1.300 1.300 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.10386E-02 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2519} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HD1 )) 3.600 1.600 1.600 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 4.053 ppm2 1.701 CV 1 OR { 2519} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) 3.300 3.300 2.700 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.10340E-02 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.200 1.300 1.300 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2531} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 41 and name HH2 )) 2.800 2.800 3.200 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 1.462 ppm2 6.633 CV 1 ASSI { 2535} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HB )) 2.900 1.100 1.100 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.10247E-02 ppm1 5.017 ppm2 1.937 CV 1 ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 -0.453 ppm2 1.391 CV 1 ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.800 1.800 1.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.10170E-02 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.000 1.200 1.200 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.99416E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2583} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 3.500 2.500 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.99295E-03 ppm1 0.908 ppm2 2.570 CV 1 ASSI { 2588} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 80 and name HG1 )) 3.300 1.400 1.400 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.98867E-03 ppm1 4.001 ppm2 2.191 CV 1 OR { 2588} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.400 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.98625E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 3.400 1.500 1.500 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.98468E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.500 1.500 1.500 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.97499E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.76508E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.65912E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.69520E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.34145E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.300 2.300 3.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.69520E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 63} ( segid " 1SG" and resid 87 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.100 2.100 3.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.69520E-02 ppm1 6.553 ppm2 0.751 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19384E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.800 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16376E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.100 2.100 3.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.69520E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12400E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.69520E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 2.200 2.200 3.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.68318E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 185} ( segid " 1SG" and resid 70 and name HE% ) (( segid " 1SG" and resid 28 and name HB )) 1.900 1.900 4.100 peak 185 spectrum 1 weight 0.10000E+01 volume 0.68318E-02 ppm1 6.589 ppm2 1.945 CV 1 ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.68318E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 189} ( segid " 1SG" and resid 83 and name HE% ) (( segid " 1SG" and resid 57 and name HG )) 2.300 2.300 3.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.68318E-02 ppm1 7.258 ppm2 0.724 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.100 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.68600E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.68595E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.68595E-02 ppm1 7.080 ppm2 6.606 CV 1 ASSI { 7} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HE21)) 1.400 0.300 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.56227E-01 ppm1 6.922 ppm2 7.453 CV 1 ASSI { 15} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HD22)) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.27549E-01 ppm1 7.722 ppm2 6.746 CV 1 ASSI { 22} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HE22)) 1.600 0.300 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.21708E-01 ppm1 7.438 ppm2 6.684 CV 1 ASSI { 41} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.000 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.15680E-01 ppm1 8.564 ppm2 4.843 CV 1 ASSI { 45} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HE21)) 1.700 0.300 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15128E-01 ppm1 6.645 ppm2 6.985 CV 1 ASSI { 51} (( segid " 1SG" and resid 66 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14022E-01 ppm1 8.106 ppm2 1.408 CV 1 ASSI { 59} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HD1 )) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12264E-01 ppm1 10.116 ppm2 7.133 CV 1 ASSI { 60} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HA )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12046E-01 ppm1 8.180 ppm2 5.068 CV 1 ASSI { 62} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.000 0.500 0.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.11892E-01 ppm1 7.892 ppm2 3.893 CV 1 ASSI { 64} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.100 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.11625E-01 ppm1 7.900 ppm2 4.580 CV 1 ASSI { 67} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HD1 )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11173E-01 ppm1 10.780 ppm2 7.129 CV 1 ASSI { 72} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.100 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10210E-01 ppm1 8.312 ppm2 4.679 CV 1 ASSI { 80} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 2.300 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.95995E-02 ppm1 7.969 ppm2 4.735 CV 1 ASSI { 81} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 2.500 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.94504E-02 ppm1 6.764 ppm2 1.067 CV 1 ASSI { 84} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.100 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.88626E-02 ppm1 8.170 ppm2 3.727 CV 1 ASSI { 85} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.88262E-02 ppm1 8.974 ppm2 1.174 CV 1 ASSI { 88} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HA )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.86804E-02 ppm1 8.005 ppm2 4.728 CV 1 ASSI { 95} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.80666E-02 ppm1 9.019 ppm2 4.049 CV 1 ASSI { 102} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.78817E-02 ppm1 7.511 ppm2 4.762 CV 1 ASSI { 111} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.74600E-02 ppm1 8.557 ppm2 5.243 CV 1 ASSI { 112} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.100 0.600 0.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.74124E-02 ppm1 8.381 ppm2 4.632 CV 1 ASSI { 114} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.72211E-02 ppm1 8.306 ppm2 4.576 CV 1 ASSI { 116} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.71020E-02 ppm1 8.397 ppm2 4.057 CV 1 ASSI { 117} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.71013E-02 ppm1 8.169 ppm2 4.378 CV 1 ASSI { 120} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.70447E-02 ppm1 7.914 ppm2 4.342 CV 1 ASSI { 122} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.70056E-02 ppm1 8.687 ppm2 5.184 CV 1 ASSI { 123} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.100 0.500 0.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.69529E-02 ppm1 8.888 ppm2 5.491 CV 1 ASSI { 125} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.000 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.69086E-02 ppm1 8.940 ppm2 5.399 CV 1 ASSI { 126} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.100 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.68904E-02 ppm1 8.849 ppm2 5.560 CV 1 ASSI { 128} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.68240E-02 ppm1 6.764 ppm2 2.128 CV 1 ASSI { 130} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.200 0.600 0.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.67368E-02 ppm1 8.264 ppm2 2.024 CV 1 ASSI { 133} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.100 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.66105E-02 ppm1 8.717 ppm2 4.983 CV 1 ASSI { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.65682E-02 ppm1 9.407 ppm2 4.227 CV 1 OR { 135} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 137} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.65513E-02 ppm1 8.106 ppm2 4.123 CV 1 ASSI { 139} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.64176E-02 ppm1 8.005 ppm2 1.919 CV 1 ASSI { 140} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.63548E-02 ppm1 8.854 ppm2 1.508 CV 1 ASSI { 142} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.63295E-02 ppm1 7.291 ppm2 0.977 CV 1 ASSI { 145} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.62730E-02 ppm1 8.005 ppm2 0.939 CV 1 ASSI { 147} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HA )) 2.300 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.62399E-02 ppm1 8.065 ppm2 4.772 CV 1 ASSI { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.62165E-02 ppm1 7.451 ppm2 2.471 CV 1 OR { 148} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 150} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 12 and name HE21)) 2.100 2.100 3.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.61792E-02 ppm1 6.723 ppm2 7.459 CV 1 ASSI { 152} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.61535E-02 ppm1 8.564 ppm2 1.911 CV 1 ASSI { 155} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.100 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.60234E-02 ppm1 9.827 ppm2 3.479 CV 1 ASSI { 156} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 2.200 0.600 0.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.59878E-02 ppm1 8.504 ppm2 4.931 CV 1 ASSI { 159} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.200 0.600 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.58945E-02 ppm1 8.974 ppm2 4.103 CV 1 ASSI { 160} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.57549E-02 ppm1 8.694 ppm2 4.799 CV 1 ASSI { 161} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 2.300 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.57157E-02 ppm1 8.374 ppm2 4.490 CV 1 ASSI { 164} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 2.300 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.56582E-02 ppm1 8.854 ppm2 4.898 CV 1 ASSI { 166} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 1 and name HA )) 2.300 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.55707E-02 ppm1 8.116 ppm2 4.614 CV 1 ASSI { 167} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.55272E-02 ppm1 8.399 ppm2 4.620 CV 1 ASSI { 169} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.55083E-02 ppm1 9.308 ppm2 4.547 CV 1 ASSI { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) 3.100 1.200 1.200 peak 170 spectrum 1 weight 0.10000E+01 volume 0.54709E-02 ppm1 8.564 ppm2 3.074 CV 1 OR { 170} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 175} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.53626E-02 ppm1 9.240 ppm2 5.100 CV 1 ASSI { 176} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.53242E-02 ppm1 8.734 ppm2 4.747 CV 1 ASSI { 177} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 2.200 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.52328E-02 ppm1 8.053 ppm2 4.102 CV 1 ASSI { 179} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.52253E-02 ppm1 7.421 ppm2 1.408 CV 1 ASSI { 180} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.51770E-02 ppm1 8.264 ppm2 4.443 CV 1 ASSI { 181} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HD22)) 2.200 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.51625E-02 ppm1 7.438 ppm2 6.719 CV 1 ASSI { 184} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 2.600 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.50535E-02 ppm1 8.564 ppm2 4.141 CV 1 ASSI { 186} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.300 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.50078E-02 ppm1 8.591 ppm2 4.384 CV 1 ASSI { 189} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.200 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.49068E-02 ppm1 8.053 ppm2 4.655 CV 1 ASSI { 191} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.48299E-02 ppm1 8.825 ppm2 3.727 CV 1 ASSI { 192} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.48060E-02 ppm1 7.877 ppm2 3.593 CV 1 ASSI { 193} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.47930E-02 ppm1 7.899 ppm2 4.062 CV 1 ASSI { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.47859E-02 ppm1 6.899 ppm2 0.850 CV 1 OR { 194} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 197} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 3.600 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.47364E-02 ppm1 7.892 ppm2 0.789 CV 1 ASSI { 198} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.46984E-02 ppm1 8.517 ppm2 4.602 CV 1 ASSI { 199} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.46821E-02 ppm1 9.183 ppm2 5.338 CV 1 ASSI { 200} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.46594E-02 ppm1 9.450 ppm2 5.366 CV 1 ASSI { 201} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.46552E-02 ppm1 8.345 ppm2 4.804 CV 1 ASSI { 202} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.46515E-02 ppm1 10.116 ppm2 7.380 CV 1 ASSI { 203} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HN )) 2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.46295E-02 ppm1 6.764 ppm2 7.787 CV 1 ASSI { 204} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 20 and name HA2 )) 2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.46110E-02 ppm1 8.825 ppm2 4.373 CV 1 ASSI { 206} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 2.300 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.45237E-02 ppm1 9.497 ppm2 5.685 CV 1 ASSI { 208} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.45056E-02 ppm1 8.151 ppm2 4.533 CV 1 ASSI { 211} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.200 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.44792E-02 ppm1 8.504 ppm2 3.743 CV 1 ASSI { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.44752E-02 ppm1 8.305 ppm2 1.753 CV 1 OR { 212} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.44366E-02 ppm1 6.922 ppm2 2.472 CV 1 OR { 216} (( segid " 1SG" and resid 12 and name HE22)) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 219} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.44006E-02 ppm1 8.106 ppm2 7.421 CV 1 ASSI { 220} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HB2 )) 2.600 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.43514E-02 ppm1 8.116 ppm2 2.658 CV 1 ASSI { 221} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.42803E-02 ppm1 7.890 ppm2 0.582 CV 1 ASSI { 222} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HA )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.42482E-02 ppm1 7.511 ppm2 4.664 CV 1 ASSI { 223} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 2.300 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.42418E-02 ppm1 9.151 ppm2 4.330 CV 1 ASSI { 228} (( segid " 1SG" and resid 15 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.41229E-02 ppm1 8.505 ppm2 0.527 CV 1 ASSI { 229} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.000 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.41104E-02 ppm1 9.407 ppm2 1.494 CV 1 ASSI { 230} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.40868E-02 ppm1 8.888 ppm2 0.583 CV 1 ASSI { 231} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.40651E-02 ppm1 7.422 ppm2 7.877 CV 1 ASSI { 232} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG1%) 3.400 1.400 1.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.40608E-02 ppm1 8.373 ppm2 0.842 CV 1 ASSI { 235} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 2.800 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.40038E-02 ppm1 8.004 ppm2 1.281 CV 1 ASSI { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG1 )) 3.600 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.39966E-02 ppm1 8.564 ppm2 2.233 CV 1 OR { 236} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 108 and name HG2 )) ASSI { 240} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.39030E-02 ppm1 8.891 ppm2 4.916 CV 1 ASSI { 243} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 2.600 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.38575E-02 ppm1 7.291 ppm2 2.508 CV 1 ASSI { 244} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 2.900 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.38516E-02 ppm1 8.312 ppm2 2.683 CV 1 ASSI { 245} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.38283E-02 ppm1 7.198 ppm2 1.453 CV 1 ASSI { 246} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.38275E-02 ppm1 8.793 ppm2 5.542 CV 1 ASSI { 247} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.38266E-02 ppm1 9.228 ppm2 4.702 CV 1 ASSI { 248} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.38203E-02 ppm1 8.373 ppm2 1.890 CV 1 ASSI { 249} (( segid " 1SG" and resid 31 and name HN )) ( segid " 1SG" and resid 31 and name HB% ) 2.800 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.37532E-02 ppm1 8.418 ppm2 1.525 CV 1 ASSI { 250} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.37507E-02 ppm1 9.273 ppm2 4.579 CV 1 ASSI { 251} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 84 and name HN )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.37443E-02 ppm1 8.255 ppm2 7.866 CV 1 ASSI { 253} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HA )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 8.853 ppm2 4.646 CV 1 ASSI { 256} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.36753E-02 ppm1 9.243 ppm2 4.989 CV 1 ASSI { 259} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 2.600 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.35951E-02 ppm1 7.914 ppm2 3.583 CV 1 ASSI { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG2 )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.34815E-02 ppm1 7.511 ppm2 1.348 CV 1 OR { 265} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 266} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.34399E-02 ppm1 8.973 ppm2 3.661 CV 1 ASSI { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG2 )) 2.900 1.100 1.100 peak 267 spectrum 1 weight 0.10000E+01 volume 0.34284E-02 ppm1 8.306 ppm2 1.685 CV 1 OR { 267} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 268} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 9.295 ppm2 5.062 CV 1 ASSI { 269} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.34099E-02 ppm1 7.900 ppm2 1.280 CV 1 ASSI { 270} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.33988E-02 ppm1 8.855 ppm2 0.945 CV 1 ASSI { 271} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.33948E-02 ppm1 8.339 ppm2 4.764 CV 1 ASSI { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.33837E-02 ppm1 8.558 ppm2 3.937 CV 1 OR { 272} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) ASSI { 273} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.33122E-02 ppm1 8.717 ppm2 0.785 CV 1 ASSI { 274} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HN )) 2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.32974E-02 ppm1 7.549 ppm2 7.973 CV 1 ASSI { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 2.600 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.32861E-02 ppm1 8.381 ppm2 1.692 CV 1 OR { 275} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 276} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.500 3.500 2.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.32644E-02 ppm1 8.263 ppm2 1.571 CV 1 ASSI { 278} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.600 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.32494E-02 ppm1 8.263 ppm2 8.143 CV 1 ASSI { 279} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.32404E-02 ppm1 6.899 ppm2 7.876 CV 1 ASSI { 281} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.32323E-02 ppm1 8.399 ppm2 5.431 CV 1 ASSI { 285} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 2.800 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.32093E-02 ppm1 8.264 ppm2 4.015 CV 1 ASSI { 287} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.31519E-02 ppm1 8.974 ppm2 8.055 CV 1 ASSI { 288} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA2 )) 2.800 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.31487E-02 ppm1 7.948 ppm2 4.508 CV 1 ASSI { 290} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 2.900 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.31230E-02 ppm1 8.397 ppm2 2.936 CV 1 ASSI { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB1 )) 2.900 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.31207E-02 ppm1 8.106 ppm2 1.756 CV 1 OR { 291} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 294} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.30796E-02 ppm1 8.417 ppm2 5.247 CV 1 ASSI { 295} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.30789E-02 ppm1 7.948 ppm2 3.928 CV 1 ASSI { 297} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.30433E-02 ppm1 9.829 ppm2 4.250 CV 1 ASSI { 298} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.300 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.30427E-02 ppm1 9.828 ppm2 0.981 CV 1 ASSI { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) 3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.30105E-02 ppm1 9.273 ppm2 0.839 CV 1 OR { 299} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 300} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.29956E-02 ppm1 9.673 ppm2 5.831 CV 1 ASSI { 302} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.29934E-02 ppm1 6.765 ppm2 4.049 CV 1 ASSI { 303} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.600 1.600 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.29802E-02 ppm1 7.866 ppm2 1.494 CV 1 ASSI { 304} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.400 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.29761E-02 ppm1 8.591 ppm2 1.513 CV 1 ASSI { 305} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 2.600 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.29665E-02 ppm1 7.784 ppm2 7.881 CV 1 ASSI { 306} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.29559E-02 ppm1 9.240 ppm2 0.769 CV 1 ASSI { 307} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HA )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.29486E-02 ppm1 7.511 ppm2 4.289 CV 1 ASSI { 308} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 2.800 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.29467E-02 ppm1 8.115 ppm2 4.899 CV 1 ASSI { 309} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 2.800 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.29462E-02 ppm1 6.899 ppm2 3.593 CV 1 ASSI { 310} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.29399E-02 ppm1 9.489 ppm2 4.946 CV 1 ASSI { 311} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.29397E-02 ppm1 10.780 ppm2 -0.081 CV 1 ASSI { 312} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.29265E-02 ppm1 8.558 ppm2 4.778 CV 1 ASSI { 314} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 2.900 1.000 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.29024E-02 ppm1 9.295 ppm2 0.842 CV 1 ASSI { 315} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.28679E-02 ppm1 7.421 ppm2 4.297 CV 1 ASSI { 316} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.28602E-02 ppm1 8.255 ppm2 4.603 CV 1 ASSI { 318} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.28415E-02 ppm1 8.940 ppm2 1.448 CV 1 ASSI { 319} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.28399E-02 ppm1 9.288 ppm2 4.192 CV 1 ASSI { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB1 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.28381E-02 ppm1 7.438 ppm2 2.396 CV 1 OR { 320} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 321} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.28377E-02 ppm1 8.470 ppm2 5.470 CV 1 ASSI { 322} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.28369E-02 ppm1 7.785 ppm2 4.613 CV 1 ASSI { 323} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.28015E-02 ppm1 8.694 ppm2 -0.080 CV 1 ASSI { 324} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.28000E-02 ppm1 8.211 ppm2 4.128 CV 1 ASSI { 325} (( segid " 1SG" and resid 4 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.600 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.27888E-02 ppm1 8.264 ppm2 0.922 CV 1 ASSI { 326} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.27741E-02 ppm1 8.255 ppm2 3.172 CV 1 ASSI { 327} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.200 1.300 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.27594E-02 ppm1 9.151 ppm2 0.400 CV 1 ASSI { 328} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.300 1.300 1.300 peak 328 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 8.822 ppm2 0.372 CV 1 ASSI { 329} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.27571E-02 ppm1 7.752 ppm2 2.335 CV 1 ASSI { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.27496E-02 ppm1 8.264 ppm2 3.842 CV 1 OR { 330} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 2.800 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.27134E-02 ppm1 9.150 ppm2 2.889 CV 1 OR { 332} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.27094E-02 ppm1 8.504 ppm2 2.013 CV 1 OR { 333} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) ASSI { 336} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD2%) 2.900 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.26711E-02 ppm1 10.780 ppm2 0.692 CV 1 ASSI { 339} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.26504E-02 ppm1 8.825 ppm2 9.828 CV 1 ASSI { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.26462E-02 ppm1 6.984 ppm2 2.164 CV 1 OR { 340} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 342} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 17 and name HB )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.26394E-02 ppm1 8.006 ppm2 4.061 CV 1 ASSI { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 2.900 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.26307E-02 ppm1 8.825 ppm2 3.076 CV 1 OR { 344} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 346} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.26190E-02 ppm1 8.305 ppm2 3.450 CV 1 ASSI { 348} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.500 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.26007E-02 ppm1 8.168 ppm2 8.828 CV 1 ASSI { 350} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.25874E-02 ppm1 8.632 ppm2 5.786 CV 1 ASSI { 351} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 54 and name HN )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.25727E-02 ppm1 7.198 ppm2 9.022 CV 1 ASSI { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.25717E-02 ppm1 8.593 ppm2 2.019 CV 1 OR { 352} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 353} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.500 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.25716E-02 ppm1 8.263 ppm2 1.225 CV 1 ASSI { 354} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.25691E-02 ppm1 8.593 ppm2 4.581 CV 1 ASSI { 355} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HA )) 3.200 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.25676E-02 ppm1 6.764 ppm2 4.611 CV 1 ASSI { 356} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 3.300 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25612E-02 ppm1 8.397 ppm2 0.779 CV 1 ASSI { 357} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 4.000 2.000 2.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.25591E-02 ppm1 7.913 ppm2 0.071 CV 1 ASSI { 358} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.25582E-02 ppm1 7.891 ppm2 -0.459 CV 1 ASSI { 361} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.25289E-02 ppm1 8.256 ppm2 1.312 CV 1 ASSI { 362} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.25253E-02 ppm1 8.005 ppm2 3.479 CV 1 ASSI { 363} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 47 and name HG2%) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.25057E-02 ppm1 7.291 ppm2 0.780 CV 1 ASSI { 364} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.25011E-02 ppm1 8.106 ppm2 8.306 CV 1 ASSI { 367} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.24889E-02 ppm1 7.901 ppm2 1.791 CV 1 ASSI { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 2.900 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.24866E-02 ppm1 7.421 ppm2 3.728 CV 1 OR { 368} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 370} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.24800E-02 ppm1 8.849 ppm2 2.303 CV 1 ASSI { 371} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.24767E-02 ppm1 8.734 ppm2 0.173 CV 1 ASSI { 372} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.24738E-02 ppm1 7.752 ppm2 4.579 CV 1 ASSI { 373} (( segid " 1SG" and resid 64 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.24646E-02 ppm1 7.752 ppm2 5.902 CV 1 ASSI { 374} (( segid " 1SG" and resid 77 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 2.900 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.24536E-02 ppm1 8.717 ppm2 1.030 CV 1 ASSI { 376} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.24468E-02 ppm1 9.447 ppm2 5.468 CV 1 ASSI { 378} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 3.500 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.24393E-02 ppm1 8.312 ppm2 1.966 CV 1 ASSI { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB1 )) 3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.24333E-02 ppm1 6.684 ppm2 2.396 CV 1 OR { 379} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 382} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 2.600 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 8.925 ppm2 1.902 CV 1 ASSI { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) 3.500 1.500 1.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.24141E-02 ppm1 8.312 ppm2 2.471 CV 1 OR { 383} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) ASSI { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 2.700 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.24116E-02 ppm1 7.548 ppm2 1.318 CV 1 OR { 384} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 385} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HB2 )) 2.900 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.23936E-02 ppm1 8.941 ppm2 4.015 CV 1 ASSI { 388} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.23874E-02 ppm1 8.150 ppm2 1.495 CV 1 ASSI { 389} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.23849E-02 ppm1 9.497 ppm2 1.455 CV 1 ASSI { 390} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.23820E-02 ppm1 8.825 ppm2 1.174 CV 1 ASSI { 391} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 8.169 ppm2 5.493 CV 1 ASSI { 392} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.400 1.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 8.382 ppm2 1.425 CV 1 ASSI { 393} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 7.198 ppm2 5.399 CV 1 ASSI { 395} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.23682E-02 ppm1 8.825 ppm2 4.841 CV 1 ASSI { 396} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.800 1.800 1.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.23609E-02 ppm1 9.019 ppm2 2.127 CV 1 ASSI { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) 3.600 1.600 1.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.23597E-02 ppm1 7.786 ppm2 1.324 CV 1 OR { 397} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 398} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23579E-02 ppm1 8.312 ppm2 5.337 CV 1 ASSI { 399} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA1 )) 2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.23471E-02 ppm1 8.211 ppm2 3.463 CV 1 ASSI { 400} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.000 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.23434E-02 ppm1 9.270 ppm2 7.060 CV 1 ASSI { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG2 )) 3.400 1.500 1.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 8.346 ppm2 2.468 CV 1 OR { 401} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) 3.600 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.23216E-02 ppm1 8.686 ppm2 1.687 CV 1 OR { 403} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 404} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.23206E-02 ppm1 8.849 ppm2 4.602 CV 1 ASSI { 407} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.200 1.300 1.300 peak 407 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 8.689 ppm2 0.691 CV 1 ASSI { 408} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.22927E-02 ppm1 8.151 ppm2 0.679 CV 1 ASSI { 409} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.22821E-02 ppm1 9.308 ppm2 7.130 CV 1 ASSI { 411} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.22425E-02 ppm1 7.877 ppm2 4.560 CV 1 ASSI { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 8.506 ppm2 2.277 CV 1 OR { 413} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 414} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) 3.400 1.500 1.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.22343E-02 ppm1 7.877 ppm2 1.260 CV 1 OR { 414} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 415} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.900 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.22343E-02 ppm1 7.900 ppm2 0.602 CV 1 ASSI { 416} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 8.504 ppm2 5.491 CV 1 ASSI { 417} (( segid " 1SG" and resid 103 and name HD21)) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.22256E-02 ppm1 7.721 ppm2 2.502 CV 1 ASSI { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG2 )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.22162E-02 ppm1 6.645 ppm2 2.164 CV 1 OR { 421} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 422} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.22060E-02 ppm1 8.896 ppm2 5.700 CV 1 ASSI { 424} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 38 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.21949E-02 ppm1 8.372 ppm2 3.897 CV 1 ASSI { 425} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 53 and name HB )) 3.100 3.100 2.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.21877E-02 ppm1 7.785 ppm2 2.145 CV 1 ASSI { 426} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21873E-02 ppm1 8.054 ppm2 1.025 CV 1 ASSI { 427} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.21862E-02 ppm1 9.242 ppm2 2.501 CV 1 ASSI { 430} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 50 and name HA )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 8.940 ppm2 3.956 CV 1 ASSI { 431} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 3.100 1.200 1.200 peak 431 spectrum 1 weight 0.10000E+01 volume 0.21591E-02 ppm1 7.912 ppm2 0.534 CV 1 ASSI { 432} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 69 and name HA )) 2.700 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 8.591 ppm2 4.580 CV 1 ASSI { 433} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA1 )) 3.600 1.600 1.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.21440E-02 ppm1 9.115 ppm2 3.473 CV 1 ASSI { 434} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.21431E-02 ppm1 8.180 ppm2 5.560 CV 1 ASSI { 435} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.21379E-02 ppm1 9.112 ppm2 4.658 CV 1 ASSI { 437} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 13 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.21329E-02 ppm1 9.242 ppm2 5.338 CV 1 ASSI { 439} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 9.052 ppm2 4.631 CV 1 ASSI { 440} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 2.900 1.000 1.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.21282E-02 ppm1 7.947 ppm2 4.658 CV 1 ASSI { 443} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.100 1.200 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 8.053 ppm2 4.009 CV 1 ASSI { 446} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 2.900 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.20722E-02 ppm1 9.045 ppm2 4.660 CV 1 ASSI { 448} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.300 1.400 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.20714E-02 ppm1 8.516 ppm2 3.810 CV 1 ASSI { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 2.900 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.20712E-02 ppm1 9.052 ppm2 0.947 CV 1 OR { 449} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.20584E-02 ppm1 7.890 ppm2 0.950 CV 1 OR { 450} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 453} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.20390E-02 ppm1 7.785 ppm2 1.718 CV 1 ASSI { 454} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.500 1.500 1.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20352E-02 ppm1 7.892 ppm2 -0.081 CV 1 ASSI { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.20227E-02 ppm1 8.373 ppm2 1.365 CV 1 OR { 456} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 458} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.300 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.20112E-02 ppm1 8.397 ppm2 0.978 CV 1 ASSI { 460} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA1 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.20035E-02 ppm1 9.019 ppm2 3.910 CV 1 ASSI { 461} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.19992E-02 ppm1 8.557 ppm2 1.024 CV 1 ASSI { 463} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.100 1.200 1.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.19651E-02 ppm1 7.866 ppm2 0.680 CV 1 ASSI { 465} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.800 1.800 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.19589E-02 ppm1 8.695 ppm2 -0.459 CV 1 ASSI { 466} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.300 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.19522E-02 ppm1 9.240 ppm2 6.937 CV 1 ASSI { 468} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 2.900 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.19504E-02 ppm1 8.255 ppm2 0.675 CV 1 ASSI { 469} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.500 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.19428E-02 ppm1 8.888 ppm2 1.455 CV 1 ASSI { 470} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 47 and name HA )) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.19397E-02 ppm1 7.291 ppm2 4.058 CV 1 ASSI { 474} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.19331E-02 ppm1 8.888 ppm2 3.751 CV 1 ASSI { 476} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 2.900 1.000 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 7.880 ppm2 8.943 CV 1 ASSI { 477} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.19247E-02 ppm1 8.823 ppm2 3.479 CV 1 ASSI { 479} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.19215E-02 ppm1 8.927 ppm2 0.780 CV 1 ASSI { 480} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HA )) 2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.19114E-02 ppm1 8.888 ppm2 4.342 CV 1 ASSI { 482} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.100 1.200 1.200 peak 482 spectrum 1 weight 0.10000E+01 volume 0.19064E-02 ppm1 9.288 ppm2 1.750 CV 1 ASSI { 483} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 8.591 ppm2 3.945 CV 1 ASSI { 484} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18810E-02 ppm1 8.006 ppm2 0.372 CV 1 ASSI { 489} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.300 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.18560E-02 ppm1 8.062 ppm2 2.677 CV 1 ASSI { 490} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.900 1.900 1.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.18558E-02 ppm1 8.256 ppm2 7.116 CV 1 ASSI { 492} (( segid " 1SG" and resid 29 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.800 1.800 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.18509E-02 ppm1 8.854 ppm2 0.635 CV 1 ASSI { 493} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 4.200 2.200 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.18492E-02 ppm1 7.914 ppm2 1.515 CV 1 ASSI { 495} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 44 and name HA2 )) 2.900 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.18392E-02 ppm1 8.211 ppm2 3.816 CV 1 ASSI { 498} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.600 1.600 1.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.18317E-02 ppm1 7.782 ppm2 1.075 CV 1 ASSI { 500} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18285E-02 ppm1 7.422 ppm2 4.123 CV 1 ASSI { 501} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 8.151 ppm2 1.850 CV 1 ASSI { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.18193E-02 ppm1 8.591 ppm2 0.849 CV 1 OR { 502} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 503} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.18064E-02 ppm1 9.115 ppm2 6.800 CV 1 ASSI { 504} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 8.180 ppm2 2.991 CV 1 ASSI { 506} (( segid " 1SG" and resid 82 and name HN )) ( segid " 1SG" and resid 82 and name HB% ) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.17868E-02 ppm1 8.017 ppm2 1.312 CV 1 ASSI { 508} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17794E-02 ppm1 8.059 ppm2 1.560 CV 1 ASSI { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB1 )) 2.600 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.17765E-02 ppm1 6.985 ppm2 1.949 CV 1 OR { 509} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 510} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 85 and name HA1 )) 3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 9.407 ppm2 3.930 CV 1 ASSI { 511} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HB2 )) 2.900 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.17593E-02 ppm1 8.347 ppm2 1.969 CV 1 ASSI { 512} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.17593E-02 ppm1 9.242 ppm2 2.724 CV 1 ASSI { 515} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 20 and name HN )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 8.972 ppm2 8.828 CV 1 ASSI { 516} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.000 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17454E-02 ppm1 7.887 ppm2 1.807 CV 1 ASSI { 518} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 9.108 ppm2 4.962 CV 1 ASSI { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 8.381 ppm2 2.395 CV 1 OR { 522} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 526} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.100 1.100 peak 526 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 8.854 ppm2 4.390 CV 1 ASSI { 530} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 54 and name HA2 )) 3.300 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16742E-02 ppm1 9.019 ppm2 4.291 CV 1 ASSI { 531} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.300 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 9.828 ppm2 1.174 CV 1 ASSI { 532} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.16610E-02 ppm1 8.687 ppm2 2.990 CV 1 ASSI { 533} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HB )) 2.800 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.16533E-02 ppm1 8.144 ppm2 2.029 CV 1 ASSI { 534} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 71 and name HN )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 8.848 ppm2 8.722 CV 1 ASSI { 535} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.16440E-02 ppm1 8.398 ppm2 3.929 CV 1 ASSI { 537} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 2.900 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.16422E-02 ppm1 8.940 ppm2 4.631 CV 1 ASSI { 539} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.100 1.200 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.16365E-02 ppm1 9.673 ppm2 0.631 CV 1 ASSI { 540} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.16308E-02 ppm1 8.396 ppm2 4.191 CV 1 ASSI { 541} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.500 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.16295E-02 ppm1 8.694 ppm2 1.340 CV 1 ASSI { 542} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 2.900 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 8.380 ppm2 5.185 CV 1 ASSI { 544} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.16190E-02 ppm1 8.823 ppm2 8.584 CV 1 ASSI { 545} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HN )) 2.900 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 7.548 ppm2 8.557 CV 1 ASSI { 546} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.723 ppm2 1.271 CV 1 ASSI { 548} (( segid " 1SG" and resid 59 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.400 2.500 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.16077E-02 ppm1 8.378 ppm2 1.797 CV 1 ASSI { 549} (( segid " 1SG" and resid 91 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.200 1.300 1.300 peak 549 spectrum 1 weight 0.10000E+01 volume 0.16077E-02 ppm1 8.474 ppm2 0.179 CV 1 ASSI { 550} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA2 )) 3.100 1.200 1.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.16039E-02 ppm1 9.184 ppm2 4.939 CV 1 ASSI { 551} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 551 spectrum 1 weight 0.10000E+01 volume 0.16009E-02 ppm1 9.309 ppm2 1.344 CV 1 ASSI { 554} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 2.900 1.100 1.100 peak 554 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 8.977 ppm2 5.305 CV 1 ASSI { 555} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.000 2.000 2.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 8.380 ppm2 0.859 CV 1 ASSI { 558} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.15762E-02 ppm1 8.941 ppm2 9.293 CV 1 ASSI { 559} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 47 and name HB )) 3.300 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 8.633 ppm2 2.501 CV 1 ASSI { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB1 )) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.15696E-02 ppm1 8.734 ppm2 3.936 CV 1 OR { 560} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HB2 )) ASSI { 561} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.15650E-02 ppm1 7.548 ppm2 1.566 CV 1 ASSI { 563} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 64 and name HA )) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 8.107 ppm2 4.573 CV 1 ASSI { 564} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 2.900 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.15544E-02 ppm1 7.892 ppm2 4.799 CV 1 ASSI { 565} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.15534E-02 ppm1 9.296 ppm2 7.306 CV 1 ASSI { 566} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 14 and name HA1 )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.15460E-02 ppm1 9.184 ppm2 3.743 CV 1 ASSI { 567} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.15458E-02 ppm1 8.715 ppm2 4.655 CV 1 ASSI { 570} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.200 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.15219E-02 ppm1 8.211 ppm2 4.972 CV 1 ASSI { 571} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 30 and name HA2 )) 3.100 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.15202E-02 ppm1 8.590 ppm2 4.673 CV 1 ASSI { 573} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 18 and name HG2%) 3.500 1.600 1.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 8.565 ppm2 0.943 CV 1 ASSI { 574} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 13 and name HB2 )) 3.100 1.200 1.200 peak 574 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 9.184 ppm2 2.684 CV 1 ASSI { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.14993E-02 ppm1 8.941 ppm2 2.888 CV 1 OR { 575} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 576} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.14915E-02 ppm1 8.887 ppm2 4.655 CV 1 ASSI { 578} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 8.696 ppm2 4.547 CV 1 ASSI { 579} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.14894E-02 ppm1 8.106 ppm2 3.452 CV 1 ASSI { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 3.000 1.200 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 8.151 ppm2 4.228 CV 1 OR { 581} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 582} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HN )) 2.900 1.000 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 7.199 ppm2 8.391 CV 1 ASSI { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 8.888 ppm2 1.573 CV 1 OR { 585} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 586} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.200 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.14695E-02 ppm1 7.890 ppm2 8.886 CV 1 ASSI { 587} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.300 3.300 2.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 8.974 ppm2 0.787 CV 1 ASSI { 590} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 53 and name HA )) 3.600 1.600 1.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 7.198 ppm2 4.042 CV 1 ASSI { 592} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.14438E-02 ppm1 7.971 ppm2 4.045 CV 1 ASSI { 593} (( segid " 1SG" and resid 63 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 8.518 ppm2 2.529 CV 1 ASSI { 595} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 3.300 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 8.888 ppm2 1.901 CV 1 ASSI { 596} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 9.184 ppm2 5.418 CV 1 ASSI { 597} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 108 and name HA )) 3.100 1.200 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 8.006 ppm2 4.146 CV 1 ASSI { 599} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 79 and name HA )) 3.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.14199E-02 ppm1 5.579 ppm2 3.659 CV 1 ASSI { 601} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HB2 )) 4.000 2.000 2.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 9.018 ppm2 1.461 CV 1 ASSI { 602} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.600 1.700 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.14061E-02 ppm1 8.724 ppm2 0.840 CV 1 ASSI { 603} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.14031E-02 ppm1 8.735 ppm2 8.378 CV 1 ASSI { 604} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HN )) 2.500 2.500 3.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.14017E-02 ppm1 7.293 ppm2 8.221 CV 1 ASSI { 608} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 3.300 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.13890E-02 ppm1 8.054 ppm2 2.374 CV 1 ASSI { 611} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 4.000 2.000 2.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 7.914 ppm2 0.771 CV 1 ASSI { 612} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.13762E-02 ppm1 9.674 ppm2 1.955 CV 1 ASSI { 613} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 8.823 ppm2 0.606 CV 1 ASSI { 614} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.13698E-02 ppm1 7.899 ppm2 7.995 CV 1 ASSI { 620} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.800 1.800 1.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.13349E-02 ppm1 8.823 ppm2 0.675 CV 1 ASSI { 622} (( segid " 1SG" and resid 61 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.13261E-02 ppm1 8.177 ppm2 2.298 CV 1 ASSI { 623} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 8.941 ppm2 1.805 CV 1 ASSI { 626} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 92 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.13226E-02 ppm1 8.735 ppm2 5.242 CV 1 ASSI { 627} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 3.700 1.800 1.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 8.106 ppm2 7.877 CV 1 ASSI { 630} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.400 1.400 1.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.13093E-02 ppm1 8.594 ppm2 1.795 CV 1 ASSI { 631} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 97 and name HA )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 8.062 ppm2 5.253 CV 1 ASSI { 632} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 76 and name HG12)) 3.900 1.900 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 6.684 ppm2 1.101 CV 1 ASSI { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) 3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 8.944 ppm2 2.395 CV 1 OR { 635} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) ASSI { 636} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 8.404 ppm2 3.599 CV 1 ASSI { 637} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 3.300 1.400 1.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 8.878 ppm2 7.307 CV 1 ASSI { 638} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 75 and name HA )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.12916E-02 ppm1 9.154 ppm2 5.086 CV 1 ASSI { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD2 )) 3.500 1.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 8.373 ppm2 1.622 CV 1 OR { 642} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 643} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.12799E-02 ppm1 8.939 ppm2 9.154 CV 1 ASSI { 644} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 3.000 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.12658E-02 ppm1 8.973 ppm2 9.828 CV 1 ASSI { 645} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 4.000 2.000 2.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 8.381 ppm2 0.692 CV 1 ASSI { 646} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HA )) 3.500 1.500 1.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 8.144 ppm2 4.009 CV 1 ASSI { 647} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.000 2.000 2.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 8.715 ppm2 5.396 CV 1 ASSI { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB1 )) 4.300 2.300 1.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.12545E-02 ppm1 6.645 ppm2 1.953 CV 1 OR { 649} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 651} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.12454E-02 ppm1 7.971 ppm2 1.782 CV 1 ASSI { 652} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 11 and name HA )) 3.400 1.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.12402E-02 ppm1 8.398 ppm2 4.795 CV 1 ASSI { 653} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.400 1.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 6.898 ppm2 2.337 CV 1 ASSI { 654} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HG )) 3.900 1.900 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.12353E-02 ppm1 8.699 ppm2 1.425 CV 1 ASSI { 655} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HG )) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.12340E-02 ppm1 8.878 ppm2 1.313 CV 1 ASSI { 656} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 4.600 2.600 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.12320E-02 ppm1 7.420 ppm2 3.594 CV 1 ASSI { 658} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.12311E-02 ppm1 9.497 ppm2 0.841 CV 1 ASSI { 659} (( segid " 1SG" and resid 103 and name HD22)) (( segid " 1SG" and resid 103 and name HB2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 6.747 ppm2 2.501 CV 1 ASSI { 660} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 4.200 2.200 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12286E-02 ppm1 8.399 ppm2 2.394 CV 1 ASSI { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD2 )) 3.800 1.800 1.800 peak 661 spectrum 1 weight 0.10000E+01 volume 0.12260E-02 ppm1 10.113 ppm2 1.215 CV 1 OR { 661} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 662} (( segid " 1SG" and resid 34 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 4.000 2.000 2.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.12224E-02 ppm1 8.673 ppm2 4.763 CV 1 ASSI { 663} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HN )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.12202E-02 ppm1 8.686 ppm2 9.449 CV 1 ASSI { 664} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HA )) 3.500 1.500 1.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.12197E-02 ppm1 9.450 ppm2 5.557 CV 1 ASSI { 665} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HA )) 3.200 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12196E-02 ppm1 9.240 ppm2 4.615 CV 1 ASSI { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) 3.500 1.600 1.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12094E-02 ppm1 9.672 ppm2 1.578 CV 1 OR { 666} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 667} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.500 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 8.792 ppm2 6.806 CV 1 ASSI { 668} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 25 and name HB2 )) 3.600 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.12047E-02 ppm1 9.497 ppm2 3.598 CV 1 ASSI { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 8.941 ppm2 0.604 CV 1 OR { 669} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD2 )) 3.600 1.600 1.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.11978E-02 ppm1 8.118 ppm2 3.845 CV 1 OR { 670} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 3 and name HD1 )) ASSI { 672} (( segid " 1SG" and resid 38 and name HN )) (( segid " 1SG" and resid 93 and name HA )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.11946E-02 ppm1 8.375 ppm2 4.772 CV 1 ASSI { 673} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 24 and name HD% ) 3.400 1.400 1.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.11931E-02 ppm1 8.400 ppm2 6.932 CV 1 ASSI { 676} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.11876E-02 ppm1 7.874 ppm2 4.297 CV 1 ASSI { 678} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 107 and name HD2 )) 3.300 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.11858E-02 ppm1 8.821 ppm2 6.922 CV 1 ASSI { 679} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HB )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.11829E-02 ppm1 9.052 ppm2 1.821 CV 1 ASSI { 680} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 77 and name HB )) 3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 8.717 ppm2 4.008 CV 1 ASSI { 681} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 23 and name HA )) 3.200 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 7.913 ppm2 5.100 CV 1 ASSI { 682} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.11792E-02 ppm1 8.897 ppm2 4.788 CV 1 ASSI { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB1 )) 3.900 1.900 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.11778E-02 ppm1 8.925 ppm2 2.891 CV 1 OR { 683} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 684} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 3.200 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.11768E-02 ppm1 8.557 ppm2 4.989 CV 1 ASSI { 686} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.700 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11753E-02 ppm1 7.786 ppm2 1.548 CV 1 ASSI { 690} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 7.751 ppm2 6.898 CV 1 ASSI { 691} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 3.900 1.900 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.11654E-02 ppm1 7.509 ppm2 4.450 CV 1 ASSI { 693} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HA )) 3.300 1.300 1.300 peak 693 spectrum 1 weight 0.10000E+01 volume 0.11612E-02 ppm1 8.896 ppm2 4.655 CV 1 ASSI { 694} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.400 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 8.470 ppm2 0.765 CV 1 ASSI { 696} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 3.200 1.300 1.300 peak 696 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 7.878 ppm2 3.451 CV 1 ASSI { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 10.115 ppm2 0.595 CV 1 OR { 698} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 699} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.900 1.900 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 7.893 ppm2 1.891 CV 1 ASSI { 700} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 26 and name HA )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 9.494 ppm2 4.916 CV 1 ASSI { 701} (( segid " 1SG" and resid 106 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.500 1.600 1.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11421E-02 ppm1 8.148 ppm2 0.372 CV 1 ASSI { 702} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 8.941 ppm2 0.855 CV 1 ASSI { 703} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 8.053 ppm2 5.494 CV 1 ASSI { 704} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.900 1.900 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.11402E-02 ppm1 8.372 ppm2 1.022 CV 1 ASSI { 706} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11384E-02 ppm1 9.115 ppm2 5.535 CV 1 ASSI { 707} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HB2 )) 3.500 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11363E-02 ppm1 7.611 ppm2 1.718 CV 1 ASSI { 708} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 8.723 ppm2 0.733 CV 1 ASSI { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 7.888 ppm2 1.570 CV 1 OR { 709} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 710} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.500 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.11316E-02 ppm1 8.849 ppm2 5.367 CV 1 ASSI { 711} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 9.240 ppm2 2.394 CV 1 ASSI { 712} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11286E-02 ppm1 9.827 ppm2 0.372 CV 1 ASSI { 713} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 2.900 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 9.295 ppm2 2.892 CV 1 ASSI { 715} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.11270E-02 ppm1 8.940 ppm2 3.867 CV 1 ASSI { 716} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.000 2.000 2.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.11267E-02 ppm1 9.448 ppm2 6.695 CV 1 ASSI { 718} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 9.408 ppm2 8.792 CV 1 ASSI { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.800 1.800 1.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.11166E-02 ppm1 9.023 ppm2 0.598 CV 1 OR { 720} (( segid " 1SG" and resid 54 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.11131E-02 ppm1 8.471 ppm2 0.409 CV 1 OR { 725} (( segid " 1SG" and resid 74 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 728} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 72 and name HD% ) 3.400 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.11023E-02 ppm1 10.780 ppm2 7.306 CV 1 ASSI { 729} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 3.600 1.600 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 8.212 ppm2 0.992 CV 1 ASSI { 730} (( segid " 1SG" and resid 108 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 8.563 ppm2 8.822 CV 1 ASSI { 731} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 59 and name HD1%) 3.600 1.600 1.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 10.780 ppm2 0.855 CV 1 ASSI { 732} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 7 and name HN )) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 8.450 ppm2 8.878 CV 1 ASSI { 733} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 3.600 1.600 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.10924E-02 ppm1 8.794 ppm2 2.502 CV 1 ASSI { 734} (( segid " 1SG" and resid 49 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 4.200 2.200 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 9.288 ppm2 1.014 CV 1 ASSI { 735} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 72 and name HB2 )) 3.300 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 10.779 ppm2 2.895 CV 1 ASSI { 736} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 18 and name HB )) 4.100 2.100 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 9.827 ppm2 1.919 CV 1 ASSI { 737} (( segid " 1SG" and resid 63 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 3.400 1.400 1.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10788E-02 ppm1 8.518 ppm2 5.900 CV 1 ASSI { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 4.300 2.400 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.10702E-02 ppm1 8.593 ppm2 2.271 CV 1 OR { 742} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10598E-02 ppm1 6.764 ppm2 0.597 CV 1 OR { 745} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB1 )) 4.200 2.200 1.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 8.263 ppm2 2.285 CV 1 OR { 746} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 747} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.300 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.10585E-02 ppm1 7.785 ppm2 3.862 CV 1 ASSI { 748} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 2.800 2.800 3.200 peak 748 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 9.449 ppm2 7.306 CV 1 ASSI { 751} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.600 1.700 1.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 8.821 ppm2 8.005 CV 1 ASSI { 753} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 8.399 ppm2 5.688 CV 1 ASSI { 754} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 31 and name HA )) 3.000 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10506E-02 ppm1 8.418 ppm2 4.164 CV 1 ASSI { 755} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HB )) 3.500 1.500 1.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.10496E-02 ppm1 8.887 ppm2 1.514 CV 1 ASSI { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.10470E-02 ppm1 7.199 ppm2 0.601 CV 1 OR { 758} (( segid " 1SG" and resid 57 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 759} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.100 2.100 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.10444E-02 ppm1 8.256 ppm2 0.808 CV 1 ASSI { 760} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.500 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 8.888 ppm2 1.892 CV 1 ASSI { 762} (( segid " 1SG" and resid 68 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 2.800 2.800 3.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 7.875 ppm2 1.403 CV 1 ASSI { 764} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 3.000 1.100 1.100 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 8.470 ppm2 -0.840 CV 1 ASSI { 765} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.600 1.600 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 7.888 ppm2 4.174 CV 1 ASSI { 767} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 8.474 ppm2 1.131 CV 1 ASSI { 770} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.10191E-02 ppm1 8.557 ppm2 5.305 CV 1 ASSI { 771} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.000 2.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.10186E-02 ppm1 7.198 ppm2 0.750 CV 1 ASSI { 772} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.10184E-02 ppm1 9.448 ppm2 5.466 CV 1 ASSI { 773} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.200 1.300 1.300 peak 773 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 8.450 ppm2 4.448 CV 1 ASSI { 774} (( segid " 1SG" and resid 12 and name HE21)) (( segid " 1SG" and resid 12 and name HA )) 3.000 1.100 1.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.10170E-02 ppm1 7.451 ppm2 4.687 CV 1 ASSI { 775} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HB2 )) 3.400 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 8.853 ppm2 1.250 CV 1 ASSI { 776} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.100 1.200 1.200 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10144E-02 ppm1 8.557 ppm2 9.117 CV 1 ASSI { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG1 )) 3.100 1.200 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.10132E-02 ppm1 7.971 ppm2 1.402 CV 1 OR { 777} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10117E-02 ppm1 9.152 ppm2 0.609 CV 1 OR { 778} (( segid " 1SG" and resid 75 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 779} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.200 1.300 1.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.10097E-02 ppm1 9.288 ppm2 3.859 CV 1 ASSI { 783} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.600 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.10075E-02 ppm1 7.198 ppm2 3.101 CV 1 ASSI { 789} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 3.600 1.700 1.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.99802E-03 ppm1 7.545 ppm2 2.672 CV 1 ASSI { 790} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.99666E-03 ppm1 8.792 ppm2 5.431 CV 1 ASSI { 791} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 53 and name HN )) 3.900 1.900 1.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.99588E-03 ppm1 9.018 ppm2 6.764 CV 1 ASSI { 792} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 4.000 2.000 2.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.99496E-03 ppm1 8.791 ppm2 6.590 CV 1 ASSI { 794} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.99256E-03 ppm1 7.865 ppm2 9.407 CV 1 ASSI { 799} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 39 and name HG2%) 3.700 1.700 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.98312E-03 ppm1 10.779 ppm2 -0.462 CV 1 ASSI { 802} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.97746E-03 ppm1 9.242 ppm2 5.536 CV 1 ASSI { 803} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 8 and name HA )) 3.300 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.97251E-03 ppm1 9.052 ppm2 4.174 CV 1 ASSI { 805} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 4.000 2.000 2.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.97017E-03 ppm1 8.593 ppm2 0.934 CV 1 ASSI { 807} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.900 1.900 1.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.96398E-03 ppm1 8.941 ppm2 0.750 CV 1 ASSI { 808} (( segid " 1SG" and resid 80 and name HE22)) ( segid " 1SG" and resid 18 and name HG1%) 4.900 3.000 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.96353E-03 ppm1 6.644 ppm2 0.986 CV 1 ASSI { 810} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 59 and name HA )) 3.700 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.95884E-03 ppm1 9.150 ppm2 5.181 CV 1 ASSI { 811} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.95780E-03 ppm1 8.558 ppm2 0.475 CV 1 ASSI { 812} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.500 1.600 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.95721E-03 ppm1 9.829 ppm2 4.106 CV 1 ASSI { 813} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 38 and name HB )) 3.400 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.95604E-03 ppm1 8.735 ppm2 1.891 CV 1 ASSI { 814} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 49 and name HD1%) 3.600 1.700 1.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.95585E-03 ppm1 8.631 ppm2 1.759 CV 1 ASSI { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.95487E-03 ppm1 8.450 ppm2 3.861 CV 1 OR { 815} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 816} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.95350E-03 ppm1 9.497 ppm2 9.294 CV 1 ASSI { 817} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 3.200 1.300 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.95337E-03 ppm1 8.215 ppm2 3.494 CV 1 ASSI { 819} (( segid " 1SG" and resid 47 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.500 3.500 2.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.95168E-03 ppm1 7.293 ppm2 6.695 CV 1 ASSI { 820} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 2.900 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.94973E-03 ppm1 9.288 ppm2 1.557 CV 1 ASSI { 822} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 4.000 2.000 2.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.94283E-03 ppm1 8.855 ppm2 4.626 CV 1 ASSI { 823} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 3.300 1.300 1.300 peak 823 spectrum 1 weight 0.10000E+01 volume 0.94263E-03 ppm1 9.240 ppm2 8.469 CV 1 ASSI { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 4.600 2.700 1.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.94159E-03 ppm1 9.308 ppm2 1.241 CV 1 OR { 825} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 4.000 2.000 2.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.93873E-03 ppm1 8.945 ppm2 0.402 CV 1 OR { 828} (( segid " 1SG" and resid 58 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 829} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 3.200 1.300 1.300 peak 829 spectrum 1 weight 0.10000E+01 volume 0.93782E-03 ppm1 9.289 ppm2 5.784 CV 1 ASSI { 830} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 78 and name HB2 )) 4.400 2.400 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.93528E-03 ppm1 8.973 ppm2 2.375 CV 1 ASSI { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB1 )) 3.700 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.93521E-03 ppm1 8.941 ppm2 1.687 CV 1 OR { 831} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 832} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.93450E-03 ppm1 9.273 ppm2 2.816 CV 1 ASSI { 833} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.93222E-03 ppm1 9.112 ppm2 0.700 CV 1 ASSI { 834} (( segid " 1SG" and resid 5 and name HN )) ( segid " 1SG" and resid 4 and name HG2%) 3.300 1.300 1.300 peak 834 spectrum 1 weight 0.10000E+01 volume 0.93157E-03 ppm1 8.145 ppm2 0.907 CV 1 ASSI { 838} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.92734E-03 ppm1 8.307 ppm2 2.338 CV 1 ASSI { 839} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HN )) 3.200 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.92629E-03 ppm1 8.694 ppm2 9.477 CV 1 ASSI { 840} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.700 1.700 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.92538E-03 ppm1 8.735 ppm2 -0.459 CV 1 ASSI { 843} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.92167E-03 ppm1 8.878 ppm2 2.581 CV 1 ASSI { 844} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 69 and name HN )) 4.100 2.100 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.92057E-03 ppm1 7.422 ppm2 6.897 CV 1 ASSI { 845} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.91979E-03 ppm1 8.725 ppm2 2.890 CV 1 ASSI { 847} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 4 and name HN )) 3.500 1.500 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.91660E-03 ppm1 8.112 ppm2 8.269 CV 1 ASSI { 848} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 39 and name HB )) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.91412E-03 ppm1 8.696 ppm2 0.582 CV 1 ASSI { 852} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.200 1.300 1.300 peak 852 spectrum 1 weight 0.10000E+01 volume 0.90625E-03 ppm1 8.722 ppm2 5.068 CV 1 ASSI { 853} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.90592E-03 ppm1 8.414 ppm2 8.590 CV 1 ASSI { 854} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 80 and name HN )) 4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.90527E-03 ppm1 8.971 ppm2 5.576 CV 1 ASSI { 859} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 3.200 1.300 1.300 peak 859 spectrum 1 weight 0.10000E+01 volume 0.89824E-03 ppm1 9.309 ppm2 5.470 CV 1 ASSI { 860} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.600 1.600 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.89622E-03 ppm1 9.449 ppm2 1.556 CV 1 ASSI { 861} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 3.900 1.900 1.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.89525E-03 ppm1 8.825 ppm2 1.280 CV 1 ASSI { 863} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.900 1.900 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.89368E-03 ppm1 8.593 ppm2 0.375 CV 1 ASSI { 864} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 73 and name HA )) 3.400 1.400 1.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.89180E-03 ppm1 9.497 ppm2 5.471 CV 1 ASSI { 865} (( segid " 1SG" and resid 46 and name HN )) ( segid " 1SG" and resid 47 and name HG1%) 4.200 2.200 1.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.89141E-03 ppm1 8.216 ppm2 0.967 CV 1 ASSI { 866} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.600 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.89010E-03 ppm1 7.291 ppm2 4.989 CV 1 ASSI { 872} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 4.300 2.300 1.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.88509E-03 ppm1 6.764 ppm2 1.716 CV 1 ASSI { 873} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 76 and name HG12)) 4.300 2.300 1.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.88431E-03 ppm1 7.198 ppm2 1.092 CV 1 ASSI { 874} (( segid " 1SG" and resid 71 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.900 2.900 3.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.88216E-03 ppm1 8.724 ppm2 5.900 CV 1 ASSI { 875} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.88158E-03 ppm1 8.793 ppm2 1.229 CV 1 ASSI { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.100 2.100 1.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.87937E-03 ppm1 9.239 ppm2 0.410 CV 1 OR { 877} (( segid " 1SG" and resid 24 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 879} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 4.000 2.000 2.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.87689E-03 ppm1 7.548 ppm2 1.025 CV 1 ASSI { 880} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 78 and name HA )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.87618E-03 ppm1 8.826 ppm2 4.088 CV 1 ASSI { 881} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.87552E-03 ppm1 9.312 ppm2 3.155 CV 1 ASSI { 885} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.700 1.700 1.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.87038E-03 ppm1 7.947 ppm2 9.112 CV 1 ASSI { 888} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 105 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.86836E-03 ppm1 8.397 ppm2 4.536 CV 1 ASSI { 889} (( segid " 1SG" and resid 58 and name HE22)) ( segid " 1SG" and resid 77 and name HG2%) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.86576E-03 ppm1 6.684 ppm2 1.034 CV 1 ASSI { 891} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 38 and name HN )) 4.000 2.000 2.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.86407E-03 ppm1 7.893 ppm2 8.374 CV 1 ASSI { 892} (( segid " 1SG" and resid 14 and name HN )) ( segid " 1SG" and resid 22 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.86368E-03 ppm1 9.186 ppm2 0.528 CV 1 ASSI { 894} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.86147E-03 ppm1 9.673 ppm2 4.901 CV 1 ASSI { 896} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.700 1.700 1.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.86107E-03 ppm1 8.417 ppm2 0.476 CV 1 ASSI { 897} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.900 2.900 3.100 peak 897 spectrum 1 weight 0.10000E+01 volume 0.86075E-03 ppm1 7.291 ppm2 3.498 CV 1 ASSI { 899} (( segid " 1SG" and resid 80 and name HE21)) ( segid " 1SG" and resid 18 and name HG1%) 4.500 2.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.85984E-03 ppm1 6.984 ppm2 0.990 CV 1 ASSI { 900} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.85938E-03 ppm1 9.408 ppm2 6.590 CV 1 ASSI { 902} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 4.000 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.85854E-03 ppm1 8.503 ppm2 9.185 CV 1 ASSI { 905} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 28 and name HA )) 3.300 1.400 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.85593E-03 ppm1 9.051 ppm2 4.900 CV 1 ASSI { 906} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.85496E-03 ppm1 8.846 ppm2 8.182 CV 1 ASSI { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) 4.000 2.000 2.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.85496E-03 ppm1 6.897 ppm2 1.262 CV 1 OR { 907} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) ASSI { 911} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 7 and name HA )) 3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.84864E-03 ppm1 8.874 ppm2 4.632 CV 1 ASSI { 913} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.800 3.800 2.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.84617E-03 ppm1 8.888 ppm2 2.040 CV 1 ASSI { 914} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 3.500 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.84409E-03 ppm1 8.896 ppm2 2.735 CV 1 ASSI { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.84181E-03 ppm1 7.872 ppm2 3.727 CV 1 OR { 915} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) ASSI { 916} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 36 and name HD2 )) 4.400 2.400 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.84051E-03 ppm1 7.511 ppm2 3.495 CV 1 ASSI { 919} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD22)) 3.700 1.800 1.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.83764E-03 ppm1 9.241 ppm2 6.759 CV 1 ASSI { 920} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 16 and name HN )) 3.800 1.800 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.83745E-03 ppm1 8.401 ppm2 8.591 CV 1 ASSI { 922} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.700 1.700 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.83543E-03 ppm1 7.867 ppm2 1.848 CV 1 ASSI { 929} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 62 and name HB2 )) 3.400 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.83042E-03 ppm1 8.847 ppm2 3.809 CV 1 ASSI { 930} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 43 and name HN )) 3.300 1.400 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.82970E-03 ppm1 7.291 ppm2 8.632 CV 1 ASSI { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 3.600 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.82944E-03 ppm1 8.380 ppm2 0.601 CV 1 OR { 931} (( segid " 1SG" and resid 59 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 936} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 39 and name HB )) 3.500 1.600 1.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.82625E-03 ppm1 10.779 ppm2 0.593 CV 1 ASSI { 939} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.100 2.100 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.82300E-03 ppm1 7.866 ppm2 3.996 CV 1 ASSI { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 3.700 1.700 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.82293E-03 ppm1 8.106 ppm2 1.324 CV 1 OR { 940} (( segid " 1SG" and resid 2 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 941} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 25 and name HA )) 3.600 1.600 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.82228E-03 ppm1 8.472 ppm2 5.686 CV 1 ASSI { 943} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HG2 )) 3.200 1.300 1.300 peak 943 spectrum 1 weight 0.10000E+01 volume 0.81753E-03 ppm1 8.211 ppm2 0.071 CV 1 ASSI { 944} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 59 and name HN )) 3.800 1.800 1.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.81271E-03 ppm1 8.685 ppm2 8.389 CV 1 ASSI { 946} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 4.100 2.100 1.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.80751E-03 ppm1 9.489 ppm2 -0.473 CV 1 ASSI { 947} (( segid " 1SG" and resid 23 and name HN )) (( segid " 1SG" and resid 22 and name HN )) 3.800 1.800 1.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.80562E-03 ppm1 7.911 ppm2 8.899 CV 1 ASSI { 951} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.500 1.600 1.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.80119E-03 ppm1 8.467 ppm2 1.552 CV 1 ASSI { 952} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.80022E-03 ppm1 8.896 ppm2 2.884 CV 1 ASSI { 953} (( segid " 1SG" and resid 82 and name HN )) (( segid " 1SG" and resid 82 and name HA )) 3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.79989E-03 ppm1 8.017 ppm2 4.202 CV 1 ASSI { 955} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 91 and name HB )) 3.900 1.900 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.79898E-03 ppm1 8.733 ppm2 1.128 CV 1 ASSI { 958} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 19 and name HN )) 4.300 2.300 1.700 peak 958 spectrum 1 weight 0.10000E+01 volume 0.79423E-03 ppm1 8.005 ppm2 9.828 CV 1 ASSI { 963} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 72 and name HA )) 3.200 1.300 1.300 peak 963 spectrum 1 weight 0.10000E+01 volume 0.79039E-03 ppm1 9.295 ppm2 5.368 CV 1 ASSI { 964} (( segid " 1SG" and resid 87 and name HN )) (( segid " 1SG" and resid 87 and name HA )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.78922E-03 ppm1 9.110 ppm2 4.975 CV 1 ASSI { 967} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.78622E-03 ppm1 8.592 ppm2 7.900 CV 1 ASSI { 968} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.900 1.900 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.78414E-03 ppm1 7.893 ppm2 8.706 CV 1 ASSI { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD1%) 4.100 2.100 1.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.78180E-03 ppm1 7.611 ppm2 0.876 CV 1 OR { 971} (( segid " 1SG" and resid 33 and name HN )) ( segid " 1SG" and resid 33 and name HD2%) ASSI { 972} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 3.000 3.000 3.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.78160E-03 ppm1 9.295 ppm2 0.738 CV 1 ASSI { 975} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 42 and name HN )) 3.400 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.77939E-03 ppm1 9.108 ppm2 9.450 CV 1 ASSI { 976} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.77802E-03 ppm1 9.150 ppm2 -0.838 CV 1 ASSI { 977} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 87 and name HB2 )) 4.200 2.200 1.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.77398E-03 ppm1 9.107 ppm2 0.710 CV 1 ASSI { 979} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.77027E-03 ppm1 7.292 ppm2 3.055 CV 1 ASSI { 980} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 4.000 2.000 2.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.77008E-03 ppm1 8.851 ppm2 2.507 CV 1 ASSI { 984} (( segid " 1SG" and resid 107 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.200 2.200 1.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.76429E-03 ppm1 8.820 ppm2 1.285 CV 1 ASSI { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG2 )) 4.100 2.100 1.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.76188E-03 ppm1 6.765 ppm2 1.329 CV 1 OR { 986} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 990} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.75895E-03 ppm1 8.053 ppm2 8.718 CV 1 ASSI { 991} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.75862E-03 ppm1 8.063 ppm2 0.474 CV 1 ASSI { 992} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.500 1.600 1.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.75836E-03 ppm1 9.489 ppm2 2.034 CV 1 ASSI { 993} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HG )) 4.100 2.100 1.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.75804E-03 ppm1 8.941 ppm2 0.789 CV 1 ASSI { 994} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 77 and name HG2%) 4.000 2.000 2.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.75635E-03 ppm1 8.888 ppm2 1.018 CV 1 ASSI { 996} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HB2 )) 3.500 1.600 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.75504E-03 ppm1 8.628 ppm2 1.216 CV 1 ASSI { 997} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.75426E-03 ppm1 8.825 ppm2 0.602 CV 1 ASSI { 998} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 18 and name HA )) 4.100 2.100 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.74899E-03 ppm1 8.973 ppm2 3.481 CV 1 ASSI { 1001} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) 3.900 1.900 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.74632E-03 ppm1 9.673 ppm2 0.941 CV 1 ASSI { 1002} (( segid " 1SG" and resid 4 and name HN )) (( segid " 1SG" and resid 2 and name HA )) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.74515E-03 ppm1 8.264 ppm2 4.901 CV 1 ASSI { 1003} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.73923E-03 ppm1 8.399 ppm2 0.818 CV 1 ASSI { 1004} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 3.600 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.73871E-03 ppm1 6.764 ppm2 0.753 CV 1 ASSI { 1008} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.100 2.100 1.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.73656E-03 ppm1 8.053 ppm2 1.176 CV 1 ASSI { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG1%) 4.300 2.300 1.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.73643E-03 ppm1 8.893 ppm2 0.948 CV 1 OR { 1009} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 8 and name HG2%) ASSI { 1010} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 61 and name HN )) 4.400 2.400 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.73636E-03 ppm1 8.686 ppm2 8.184 CV 1 ASSI { 1013} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HA )) 3.400 1.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.73474E-03 ppm1 8.217 ppm2 4.976 CV 1 ASSI { 1014} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 21 and name HN )) 4.100 2.100 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.73434E-03 ppm1 8.891 ppm2 8.169 CV 1 ASSI { 1015} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.400 1.400 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.73389E-03 ppm1 8.470 ppm2 4.333 CV 1 ASSI { 1016} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG1%) 4.100 2.100 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.73272E-03 ppm1 10.115 ppm2 0.962 CV 1 ASSI { 1017} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 4.000 2.000 2.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.73031E-03 ppm1 8.375 ppm2 0.173 CV 1 ASSI { 1018} (( segid " 1SG" and resid 98 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.900 1.900 1.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.72868E-03 ppm1 8.417 ppm2 7.087 CV 1 ASSI { 1019} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.200 2.200 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.72653E-03 ppm1 8.795 ppm2 0.813 CV 1 ASSI { 1020} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 57 and name HN )) 3.200 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.72608E-03 ppm1 7.433 ppm2 7.207 CV 1 ASSI { 1022} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HB2 )) 4.000 2.000 2.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.72465E-03 ppm1 9.044 ppm2 2.699 CV 1 ASSI { 1026} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.72074E-03 ppm1 8.474 ppm2 5.702 CV 1 ASSI { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB2 )) 4.100 2.100 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.72022E-03 ppm1 8.006 ppm2 3.075 CV 1 OR { 1027} (( segid " 1SG" and resid 18 and name HN )) (( segid " 1SG" and resid 107 and name HB1 )) ASSI { 1028} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 11 and name HB2 )) 4.000 2.000 2.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.71885E-03 ppm1 8.345 ppm2 0.920 CV 1 ASSI { 1029} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 3.500 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.71879E-03 ppm1 9.448 ppm2 2.466 CV 1 ASSI { 1031} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.800 1.800 1.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.71775E-03 ppm1 6.898 ppm2 9.268 CV 1 ASSI { 1035} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 106 and name HN )) 3.700 1.700 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.71352E-03 ppm1 7.865 ppm2 8.160 CV 1 ASSI { 1036} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 49 and name HA )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.71137E-03 ppm1 7.877 ppm2 3.864 CV 1 ASSI { 1039} (( segid " 1SG" and resid 65 and name HN )) ( segid " 1SG" and resid 66 and name HB% ) 4.600 2.700 1.400 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.70824E-03 ppm1 8.306 ppm2 1.408 CV 1 ASSI { 1040} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.70772E-03 ppm1 8.721 ppm2 2.808 CV 1 ASSI { 1041} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 69 and name HB )) 3.900 1.900 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.70557E-03 ppm1 9.274 ppm2 1.751 CV 1 ASSI { 1042} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HB2 )) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.70525E-03 ppm1 7.868 ppm2 3.172 CV 1 ASSI { 1043} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HD% ) 3.900 1.900 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.70421E-03 ppm1 8.592 ppm2 7.062 CV 1 ASSI { 1045} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 3.600 1.600 1.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.70043E-03 ppm1 8.255 ppm2 3.992 CV 1 ASSI { 1046} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HA )) 3.500 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.69783E-03 ppm1 9.230 ppm2 5.702 CV 1 ASSI { 1047} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 4.000 2.000 2.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.69757E-03 ppm1 7.867 ppm2 0.812 CV 1 ASSI { 1049} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 54 and name HN )) 3.600 1.700 1.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.69542E-03 ppm1 7.434 ppm2 9.012 CV 1 ASSI { 1051} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 19 and name HA1 )) 5.000 3.100 1.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.69392E-03 ppm1 8.051 ppm2 4.254 CV 1 ASSI { 1052} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HB2 )) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.69282E-03 ppm1 8.216 ppm2 3.056 CV 1 ASSI { 1054} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.69060E-03 ppm1 8.848 ppm2 7.306 CV 1 ASSI { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.69028E-03 ppm1 8.305 ppm2 3.228 CV 1 OR { 1055} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) ASSI { 1057} (( segid " 1SG" and resid 72 and name HN )) ( segid " 1SG" and resid 26 and name HB% ) 3.600 1.600 1.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.68878E-03 ppm1 9.293 ppm2 1.455 CV 1 ASSI { 1059} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HB )) 4.300 2.300 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.68598E-03 ppm1 9.239 ppm2 3.585 CV 1 ASSI { 1060} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.500 1.500 1.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.68559E-03 ppm1 9.269 ppm2 9.678 CV 1 ASSI { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 3.500 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.68468E-03 ppm1 8.213 ppm2 0.596 CV 1 OR { 1061} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1062} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.900 1.900 1.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.68370E-03 ppm1 8.687 ppm2 4.333 CV 1 ASSI { 1065} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.68006E-03 ppm1 9.407 ppm2 1.334 CV 1 ASSI { 1071} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 6 and name HA )) 3.700 1.700 1.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.67453E-03 ppm1 8.878 ppm2 4.443 CV 1 ASSI { 1077} (( segid " 1SG" and resid 62 and name HN )) ( segid " 1SG" and resid 71 and name HD2%) 4.100 2.100 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.66698E-03 ppm1 8.848 ppm2 0.735 CV 1 ASSI { 1078} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.800 1.800 1.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.66646E-03 ppm1 9.296 ppm2 5.831 CV 1 ASSI { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB2 )) 4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.66541E-03 ppm1 6.900 ppm2 3.732 CV 1 OR { 1079} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 55 and name HA )) 3.500 1.500 1.500 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.66476E-03 ppm1 7.434 ppm2 3.988 CV 1 ASSI { 1081} (( segid " 1SG" and resid 16 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 4.000 2.000 2.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.66444E-03 ppm1 8.593 ppm2 3.930 CV 1 ASSI { 1082} (( segid " 1SG" and resid 77 and name HN )) (( segid " 1SG" and resid 76 and name HB )) 4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.66424E-03 ppm1 8.711 ppm2 1.910 CV 1 ASSI { 1083} (( segid " 1SG" and resid 79 and name HN )) (( segid " 1SG" and resid 21 and name HA )) 4.300 2.400 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.66372E-03 ppm1 8.972 ppm2 5.495 CV 1 ASSI { 1084} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.000 2.000 2.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.66353E-03 ppm1 5.579 ppm2 1.174 CV 1 ASSI { 1086} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HA )) 3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.66268E-03 ppm1 9.017 ppm2 4.624 CV 1 ASSI { 1088} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 104 and name HD2%) 3.800 1.800 1.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.66112E-03 ppm1 9.407 ppm2 0.814 CV 1 ASSI { 1092} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HB2 )) 4.300 2.300 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.65741E-03 ppm1 9.451 ppm2 2.893 CV 1 ASSI { 1095} (( segid " 1SG" and resid 90 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 9.489 ppm2 -0.081 CV 1 ASSI { 1099} (( segid " 1SG" and resid 47 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 3.600 1.600 1.600 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.64811E-03 ppm1 7.291 ppm2 7.129 CV 1 ASSI { 1101} (( segid " 1SG" and resid 43 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.64688E-03 ppm1 8.628 ppm2 6.700 CV 1 ASSI { 1102} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 92 and name HN )) 4.100 2.100 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.64647E-03 ppm1 8.556 ppm2 8.734 CV 1 ASSI { 1103} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.500 2.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.64078E-03 ppm1 8.925 ppm2 9.242 CV 1 ASSI { 1105} (( segid " 1SG" and resid 48 and name HN )) ( segid " 1SG" and resid 42 and name HD% ) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.64003E-03 ppm1 8.396 ppm2 6.693 CV 1 ASSI { 1106} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.900 1.900 1.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.63995E-03 ppm1 9.488 ppm2 2.324 CV 1 ASSI { 1107} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 59 and name HB2 )) 4.500 2.600 1.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.63983E-03 ppm1 10.780 ppm2 1.690 CV 1 OR { 1107} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1109} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 3.800 1.800 1.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.63815E-03 ppm1 8.977 ppm2 2.309 CV 1 ASSI { 1114} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 4.800 2.800 1.200 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.63233E-03 ppm1 8.695 ppm2 0.172 CV 1 ASSI { 1115} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.000 2.000 2.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.62937E-03 ppm1 7.545 ppm2 0.466 CV 1 ASSI { 1116} (( segid " 1SG" and resid 78 and name HN )) ( segid " 1SG" and resid 76 and name HG2%) 3.900 1.900 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.62645E-03 ppm1 8.055 ppm2 0.789 CV 1 ASSI { 1117} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 63 and name HB2 )) 4.200 2.300 1.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.62518E-03 ppm1 7.754 ppm2 2.540 CV 1 ASSI { 1118} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 32 and name HA )) 3.700 1.700 1.700 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.62425E-03 ppm1 7.614 ppm2 4.515 CV 1 ASSI { 1119} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 72 and name HN )) 4.100 2.200 1.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.62356E-03 ppm1 9.450 ppm2 9.298 CV 1 ASSI { 1120} (( segid " 1SG" and resid 50 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 4.000 2.000 2.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.62153E-03 ppm1 8.939 ppm2 1.056 CV 1 ASSI { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.100 2.100 1.900 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.61994E-03 ppm1 8.978 ppm2 1.704 CV 1 OR { 1122} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1124} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 4.200 2.200 1.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.61927E-03 ppm1 7.861 ppm2 0.372 CV 1 ASSI { 1127} (( segid " 1SG" and resid 30 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 4.000 2.000 2.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.61628E-03 ppm1 8.590 ppm2 6.626 CV 1 ASSI { 1128} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 3.900 1.900 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.61528E-03 ppm1 8.452 ppm2 0.650 CV 1 ASSI { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD2%) 4.300 2.300 1.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.61433E-03 ppm1 7.782 ppm2 0.598 CV 1 OR { 1130} (( segid " 1SG" and resid 52 and name HN )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1134} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.400 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.61254E-03 ppm1 8.628 ppm2 4.137 CV 1 ASSI { 1135} (( segid " 1SG" and resid 102 and name HN )) ( segid " 1SG" and resid 102 and name HD% ) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.61242E-03 ppm1 8.559 ppm2 6.774 CV 1 ASSI { 1136} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 4.300 2.300 1.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.61166E-03 ppm1 9.402 ppm2 0.679 CV 1 ASSI { 1139} (( segid " 1SG" and resid 97 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.900 1.900 1.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.61062E-03 ppm1 8.059 ppm2 7.095 CV 1 ASSI { 1140} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.800 1.800 1.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.60965E-03 ppm1 5.578 ppm2 7.113 CV 1 ASSI { 1147} (( segid " 1SG" and resid 6 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 4.200 2.200 1.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.60603E-03 ppm1 8.450 ppm2 0.473 CV 1 ASSI { 1148} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.900 1.900 1.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.60539E-03 ppm1 8.896 ppm2 2.949 CV 1 ASSI { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD1 )) 3.400 3.400 2.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.60426E-03 ppm1 7.966 ppm2 1.675 CV 1 OR { 1149} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 1150} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 3.100 2.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.60404E-03 ppm1 7.886 ppm2 2.575 CV 1 ASSI { 1153} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 4.200 2.200 1.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.60012E-03 ppm1 6.765 ppm2 1.541 CV 1 ASSI { 1154} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 104 and name HG )) 4.300 2.400 1.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.59969E-03 ppm1 8.795 ppm2 1.331 CV 1 ASSI { 1155} (( segid " 1SG" and resid 17 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.600 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.59773E-03 ppm1 7.901 ppm2 3.729 CV 1 ASSI { 1156} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 4.600 2.600 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.59768E-03 ppm1 7.545 ppm2 4.046 CV 1 ASSI { 1159} (( segid " 1SG" and resid 46 and name HE1 )) ( segid " 1SG" and resid 47 and name HG2%) 4.200 2.200 1.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.59695E-03 ppm1 10.119 ppm2 0.784 CV 1 ASSI { 1160} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 4.100 2.100 1.900 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.59602E-03 ppm1 9.673 ppm2 8.869 CV 1 ASSI { 1161} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 77 and name HA )) 4.700 2.700 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.59555E-03 ppm1 8.164 ppm2 4.654 CV 1 ASSI { 1162} (( segid " 1SG" and resid 64 and name HN )) (( segid " 1SG" and resid 68 and name HN )) 4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.59496E-03 ppm1 7.762 ppm2 7.885 CV 1 ASSI { 1163} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.59462E-03 ppm1 9.289 ppm2 2.942 CV 1 ASSI { 1166} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HB2 )) 4.800 2.800 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.59292E-03 ppm1 8.397 ppm2 1.239 CV 1 ASSI { 1167} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.600 2.600 1.400 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.59167E-03 ppm1 9.051 ppm2 7.309 CV 1 ASSI { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG1%) 4.400 2.400 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.59159E-03 ppm1 7.424 ppm2 0.850 CV 1 OR { 1168} (( segid " 1SG" and resid 67 and name HN )) ( segid " 1SG" and resid 69 and name HG2%) ASSI { 1170} (( segid " 1SG" and resid 12 and name HE21)) ( segid " 1SG" and resid 102 and name HE% ) 4.200 2.300 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.59102E-03 ppm1 7.462 ppm2 7.083 CV 1 ASSI { 1172} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 4.300 2.300 1.700 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.59086E-03 ppm1 7.948 ppm2 9.406 CV 1 ASSI { 1173} (( segid " 1SG" and resid 90 and name HN )) (( segid " 1SG" and resid 41 and name HA )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.58925E-03 ppm1 9.490 ppm2 5.471 CV 1 ASSI { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 4.800 2.800 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.58918E-03 ppm1 7.198 ppm2 2.395 CV 1 OR { 1174} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1175} (( segid " 1SG" and resid 60 and name HN )) (( segid " 1SG" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.58917E-03 ppm1 8.688 ppm2 1.552 CV 1 ASSI { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 4.700 2.700 1.300 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.58856E-03 ppm1 8.632 ppm2 1.317 CV 1 OR { 1177} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1181} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 99 and name HB2 )) 4.000 2.000 2.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.58563E-03 ppm1 9.230 ppm2 2.737 CV 1 ASSI { 1183} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HA )) 3.500 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.58541E-03 ppm1 8.888 ppm2 5.828 CV 1 ASSI { 1187} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.58453E-03 ppm1 7.900 ppm2 1.179 CV 1 ASSI { 1192} (( segid " 1SG" and resid 9 and name HN )) ( segid " 1SG" and resid 7 and name HD% ) 4.100 2.100 1.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.58263E-03 ppm1 7.892 ppm2 7.309 CV 1 ASSI { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG1 )) 4.100 2.100 1.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.58031E-03 ppm1 7.973 ppm2 1.317 CV 1 OR { 1193} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD2%) 4.300 2.400 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.57860E-03 ppm1 8.688 ppm2 0.407 CV 1 OR { 1194} (( segid " 1SG" and resid 60 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1199} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 4.000 2.000 2.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.57804E-03 ppm1 9.269 ppm2 4.385 CV 1 ASSI { 1201} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 81 and name HA )) 4.700 2.800 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.57686E-03 ppm1 8.150 ppm2 3.988 CV 1 ASSI { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD2%) 4.000 2.000 2.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.57582E-03 ppm1 10.782 ppm2 0.402 CV 1 OR { 1205} (( segid " 1SG" and resid 41 and name HE1 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1207} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 49 and name HB2 )) 3.600 1.600 1.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.57461E-03 ppm1 8.941 ppm2 1.554 CV 1 ASSI { 1210} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 4.100 2.100 1.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.57187E-03 ppm1 8.854 ppm2 1.961 CV 1 ASSI { 1211} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 82 and name HN )) 3.500 1.500 1.500 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.57172E-03 ppm1 8.254 ppm2 8.025 CV 1 ASSI { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB1 )) 4.600 2.700 1.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.56840E-03 ppm1 8.404 ppm2 2.024 CV 1 OR { 1214} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 1217} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 4.100 2.100 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.56667E-03 ppm1 8.925 ppm2 8.720 CV 1 ASSI { 1218} (( segid " 1SG" and resid 80 and name HE21)) (( segid " 1SG" and resid 80 and name HA )) 4.700 2.800 1.300 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.56566E-03 ppm1 6.979 ppm2 4.637 CV 1 ASSI { 1219} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 26 and name HN )) 4.300 2.300 1.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.56551E-03 ppm1 8.401 ppm2 9.500 CV 1 ASSI { 1222} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 3.600 1.600 1.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.56339E-03 ppm1 7.972 ppm2 4.556 CV 1 ASSI { 1223} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 97 and name HB2 )) 4.000 2.000 2.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.56302E-03 ppm1 8.414 ppm2 2.674 CV 1 ASSI { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG2 )) 5.100 3.300 0.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.56270E-03 ppm1 7.423 ppm2 1.256 CV 1 OR { 1224} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 1225} (( segid " 1SG" and resid 96 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.56225E-03 ppm1 7.544 ppm2 0.653 CV 1 ASSI { 1226} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 60 and name HB2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.56107E-03 ppm1 9.449 ppm2 2.977 CV 1 ASSI { 1228} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 1.200 1.200 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.55876E-03 ppm1 8.564 ppm2 0.370 CV 1 ASSI { 1230} (( segid " 1SG" and resid 30 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.55632E-03 ppm1 8.593 ppm2 9.275 CV 1 ASSI { 1231} (( segid " 1SG" and resid 25 and name HN )) (( segid " 1SG" and resid 24 and name HN )) 4.300 2.300 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.55621E-03 ppm1 8.400 ppm2 9.240 CV 1 ASSI { 1232} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 5.200 3.300 0.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.55610E-03 ppm1 8.256 ppm2 7.263 CV 1 ASSI { 1238} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 58 and name HG2 )) 4.600 2.600 1.400 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.55259E-03 ppm1 9.148 ppm2 1.803 CV 1 ASSI { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) 4.100 2.100 1.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.55123E-03 ppm1 9.110 ppm2 1.698 CV 1 OR { 1239} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1241} (( segid " 1SG" and resid 108 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.200 2.200 1.800 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.55091E-03 ppm1 8.565 ppm2 1.285 CV 1 ASSI { 1245} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 4.100 2.100 1.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.54931E-03 ppm1 8.690 ppm2 7.122 CV 1 ASSI { 1247} (( segid " 1SG" and resid 58 and name HE22)) (( segid " 1SG" and resid 77 and name HB )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.54870E-03 ppm1 6.686 ppm2 4.009 CV 1 ASSI { 1249} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.200 3.200 2.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.54806E-03 ppm1 9.229 ppm2 2.578 CV 1 ASSI { 1250} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 77 and name HN )) 5.000 3.100 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.54780E-03 ppm1 8.944 ppm2 8.717 CV 1 ASSI { 1253} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 72 and name HE% ) 4.000 2.000 2.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.54670E-03 ppm1 7.893 ppm2 7.055 CV 1 ASSI { 1258} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 74 and name HN )) 4.300 2.300 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.54374E-03 ppm1 9.450 ppm2 8.472 CV 1 ASSI { 1260} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 42 and name HB2 )) 4.500 2.600 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.54282E-03 ppm1 9.287 ppm2 2.479 CV 1 ASSI { 1264} (( segid " 1SG" and resid 80 and name HE22)) (( segid " 1SG" and resid 80 and name HA )) 6.000 4.700 0.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.53950E-03 ppm1 6.643 ppm2 4.635 CV 1 ASSI { 1268} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.53865E-03 ppm1 8.977 ppm2 4.944 CV 1 ASSI { 1269} (( segid " 1SG" and resid 73 and name HN )) ( segid " 1SG" and resid 71 and name HD1%) 4.100 2.100 1.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.53858E-03 ppm1 9.452 ppm2 0.839 CV 1 ASSI { 1270} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 57 and name HG )) 4.200 2.200 1.800 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.53839E-03 ppm1 9.018 ppm2 0.750 CV 1 ASSI { 1272} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 4.400 2.400 1.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.53770E-03 ppm1 6.765 ppm2 0.861 CV 1 ASSI { 1273} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HB2 )) 4.700 2.800 1.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.53732E-03 ppm1 9.229 ppm2 2.289 CV 1 ASSI { 1274} (( segid " 1SG" and resid 16 and name HN )) ( segid " 1SG" and resid 17 and name HG2%) 4.400 2.400 1.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.53702E-03 ppm1 8.594 ppm2 1.286 CV 1 ASSI { 1276} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 71 and name HA )) 3.900 1.900 1.900 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.53652E-03 ppm1 9.674 ppm2 5.062 CV 1 ASSI { 1277} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 4.100 2.100 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.53641E-03 ppm1 8.928 ppm2 9.150 CV 1 ASSI { 1285} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 17 and name HN )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.52935E-03 ppm1 8.829 ppm2 7.897 CV 1 ASSI { 1286} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 4.000 2.000 2.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.52932E-03 ppm1 7.422 ppm2 3.445 CV 1 ASSI { 1287} (( segid " 1SG" and resid 22 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.52930E-03 ppm1 8.892 ppm2 1.182 CV 1 ASSI { 1288} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 4.900 3.000 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.52898E-03 ppm1 8.107 ppm2 4.299 CV 1 ASSI { 1290} (( segid " 1SG" and resid 70 and name HN )) (( segid " 1SG" and resid 28 and name HB )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.52881E-03 ppm1 9.273 ppm2 1.954 CV 1 ASSI { 1292} (( segid " 1SG" and resid 101 and name HD22)) (( segid " 1SG" and resid 101 and name HB2 )) 4.600 2.700 1.400 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.52703E-03 ppm1 6.724 ppm2 2.692 CV 1 ASSI { 1295} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 83 and name HA )) 4.100 2.100 1.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.52489E-03 ppm1 10.109 ppm2 4.613 CV 1 ASSI { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB2 )) 4.500 2.600 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.52481E-03 ppm1 9.024 ppm2 2.399 CV 1 OR { 1296} (( segid " 1SG" and resid 54 and name HN )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1298} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 3.700 1.700 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.52439E-03 ppm1 8.737 ppm2 1.365 CV 1 ASSI { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HA )) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.52304E-03 ppm1 8.799 ppm2 4.230 CV 1 OR { 1302} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 84 and name HB )) ASSI { 1306} (( segid " 1SG" and resid 40 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 4.600 2.600 1.400 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.52005E-03 ppm1 8.688 ppm2 0.784 CV 1 ASSI { 1309} (( segid " 1SG" and resid 48 and name HN )) (( segid " 1SG" and resid 47 and name HN )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.51838E-03 ppm1 8.396 ppm2 7.292 CV 1 ASSI { 1310} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 6 and name HD1%) 4.000 2.000 2.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.51825E-03 ppm1 8.555 ppm2 0.652 CV 1 ASSI { 1311} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 46 and name HB2 )) 4.400 2.400 1.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.51799E-03 ppm1 10.115 ppm2 3.057 CV 1 ASSI { 1313} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 107 and name HN )) 4.600 2.600 1.400 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.51686E-03 ppm1 8.148 ppm2 8.823 CV 1 ASSI { 1314} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HN )) 4.600 2.600 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.51567E-03 ppm1 9.445 ppm2 9.310 CV 1 ASSI { 1315} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 4.300 2.300 1.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.51558E-03 ppm1 8.979 ppm2 5.507 CV 1 ASSI { 1317} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HA )) 3.200 3.200 2.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.51370E-03 ppm1 10.118 ppm2 3.497 CV 1 ASSI { 1319} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 57 and name HA )) 4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.51295E-03 ppm1 9.150 ppm2 5.401 CV 1 ASSI { 1320} (( segid " 1SG" and resid 46 and name HE1 )) (( segid " 1SG" and resid 45 and name HE2 )) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.51273E-03 ppm1 10.108 ppm2 2.594 CV 1 ASSI { 1323} (( segid " 1SG" and resid 58 and name HE21)) (( segid " 1SG" and resid 58 and name HA )) 3.800 1.800 1.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.51135E-03 ppm1 7.436 ppm2 4.650 CV 1 ASSI { 1325} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 10 and name HA )) 3.600 1.600 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.50980E-03 ppm1 8.852 ppm2 4.315 CV 1 ASSI { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) 3.800 1.800 1.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.50658E-03 ppm1 5.579 ppm2 2.159 CV 1 OR { 1332} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) ASSI { 1333} (( segid " 1SG" and resid 21 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 4.300 2.300 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.50594E-03 ppm1 8.168 ppm2 1.177 CV 1 ASSI { 1335} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 89 and name HA )) 4.400 2.400 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.50471E-03 ppm1 8.689 ppm2 4.943 CV 1 ASSI { 1341} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 88 and name HA )) 3.600 1.600 1.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.49983E-03 ppm1 9.108 ppm2 5.308 CV 1 ASSI { 1347} (( segid " 1SG" and resid 29 and name HN )) (( segid " 1SG" and resid 30 and name HN )) 3.300 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.854 ppm2 8.595 CV 1 ASSI { 1348} (( segid " 1SG" and resid 102 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.300 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.557 ppm2 9.245 CV 1 ASSI { 1349} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 42 and name HA )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 9.447 ppm2 5.780 CV 1 ASSI { 1351} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 3.200 1.300 1.300 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.317 ppm2 9.191 CV 1 ASSI { 1352} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HB2 )) 3.300 1.300 1.300 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.330 ppm2 1.778 CV 1 ASSI { 1353} (( segid " 1SG" and resid 93 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.900 1.000 1.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.558 ppm2 4.550 CV 1 ASSI { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA2 )) 2.700 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.141 ppm2 3.855 CV 1 OR { 1354} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 1356} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HA )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.385 ppm2 4.970 CV 1 ASSI { 1358} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 2.700 0.900 0.900 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 7.892 ppm2 9.052 CV 1 ASSI { 1360} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.400 1.400 1.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.056 ppm2 8.423 CV 1 ASSI { 1361} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.300 1.400 1.400 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.242 ppm2 8.788 CV 1 ASSI { 1362} (( segid " 1SG" and resid 97 and name HN )) (( segid " 1SG" and resid 96 and name HN )) 3.200 1.300 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.059 ppm2 7.543 CV 1 ASSI { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.510 ppm2 1.779 CV 1 OR { 1365} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE2 )) 3.600 1.600 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.510 ppm2 2.950 CV 1 OR { 1366} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 35 and name HE1 )) ASSI { 1367} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HA )) 2.700 0.900 0.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.196 ppm2 3.486 CV 1 ASSI { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.195 ppm2 0.606 CV 1 OR { 1369} (( segid " 1SG" and resid 45 and name HN )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1371} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 94 and name HA )) 2.700 0.900 0.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.337 ppm2 4.042 CV 1 ASSI { 1373} (( segid " 1SG" and resid 18 and name HN )) ( segid " 1SG" and resid 18 and name HG1%) 3.000 1.100 1.100 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.005 ppm2 0.992 CV 1 ASSI { 1374} (( segid " 1SG" and resid 53 and name HN )) ( segid " 1SG" and resid 53 and name HG1%) 3.100 1.200 1.200 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 6.764 ppm2 1.120 CV 1 ASSI { 1376} (( segid " 1SG" and resid 78 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.600 1.600 1.600 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.053 ppm2 3.751 CV 1 ASSI { 1379} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 62 and name HN )) 3.500 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 9.447 ppm2 8.851 CV 1 ASSI { 1380} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.500 1.500 1.500 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.721 ppm2 7.751 CV 1 ASSI { 1381} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 87 and name HN )) 3.200 1.300 1.300 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.792 ppm2 9.113 CV 1 ASSI { 1384} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 98 and name HA )) 2.800 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.417 ppm2 4.696 CV 1 ASSI { 1385} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HA )) 2.700 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 5.581 ppm2 4.644 CV 1 ASSI { 1386} (( segid " 1SG" and resid 12 and name HN )) (( segid " 1SG" and resid 12 and name HA )) 2.700 0.900 0.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.345 ppm2 4.679 CV 1 ASSI { 1391} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 101 and name HA )) 2.700 0.900 0.900 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 9.044 ppm2 5.506 CV 1 ASSI { 1393} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 90 and name HA )) 2.600 0.800 0.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.474 ppm2 4.789 CV 1 ASSI { 1395} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 49 and name HN )) 2.900 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 8.632 ppm2 9.291 CV 1 ASSI { 1397} (( segid " 1SG" and resid 33 and name HN )) (( segid " 1SG" and resid 33 and name HA )) 2.800 1.000 1.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 7.614 ppm2 4.456 CV 1 ASSI { 1398} (( segid " 1SG" and resid 41 and name HN )) (( segid " 1SG" and resid 40 and name HN )) 3.300 1.400 1.400 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.30510E-02 ppm1 9.308 ppm2 8.696 CV 1 ASSI { 1399} (( segid " 1SG" and resid 6 and name HN )) (( segid " 1SG" and resid 5 and name HN )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.450 ppm2 8.143 CV 1 ASSI { 1400} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 29 and name HN )) 3.000 1.100 1.100 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.053 ppm2 8.853 CV 1 ASSI { 1401} (( segid " 1SG" and resid 7 and name HN )) (( segid " 1SG" and resid 8 and name HN )) 3.200 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.874 ppm2 9.052 CV 1 ASSI { 1403} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 103 and name HN )) 3.000 1.100 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.312 ppm2 9.240 CV 1 ASSI { 1406} (( segid " 1SG" and resid 49 and name HN )) (( segid " 1SG" and resid 48 and name HN )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.290 ppm2 8.397 CV 1 ASSI { 1407} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 50 and name HN )) 3.200 1.300 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 7.786 ppm2 8.941 CV 1 ASSI { 1408} (( segid " 1SG" and resid 53 and name HN )) (( segid " 1SG" and resid 51 and name HN )) 3.500 1.500 1.500 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 6.764 ppm2 7.881 CV 1 ASSI { 1409} (( segid " 1SG" and resid 52 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.000 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 7.784 ppm2 4.557 CV 1 ASSI { 1411} (( segid " 1SG" and resid 57 and name HN )) (( segid " 1SG" and resid 58 and name HN )) 3.200 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 7.198 ppm2 8.954 CV 1 ASSI { 1412} (( segid " 1SG" and resid 75 and name HN )) (( segid " 1SG" and resid 60 and name HN )) 3.100 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.151 ppm2 8.693 CV 1 ASSI { 1413} (( segid " 1SG" and resid 65 and name HN )) (( segid " 1SG" and resid 64 and name HN )) 3.300 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.305 ppm2 7.754 CV 1 ASSI { 1414} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 70 and name HN )) 3.400 1.400 1.400 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.724 ppm2 9.271 CV 1 ASSI { 1417} (( segid " 1SG" and resid 72 and name HN )) (( segid " 1SG" and resid 28 and name HN )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.295 ppm2 9.670 CV 1 ASSI { 1419} (( segid " 1SG" and resid 76 and name HN )) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.925 ppm2 4.988 CV 1 ASSI { 1420} (( segid " 1SG" and resid 84 and name HN )) (( segid " 1SG" and resid 83 and name HA )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 7.866 ppm2 4.601 CV 1 ASSI { 1422} (( segid " 1SG" and resid 89 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 2.700 0.900 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.979 ppm2 8.906 CV 1 ASSI { 1423} (( segid " 1SG" and resid 91 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.600 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.474 ppm2 4.739 CV 1 ASSI { 1426} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.800 0.800 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.399 ppm2 5.489 CV 1 ASSI { 1428} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 104 and name HN )) 3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.400 ppm2 8.792 CV 1 ASSI { 1429} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HN )) 3.100 1.200 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.150 ppm2 8.402 CV 1 ASSI { 1430} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 85 and name HN )) 3.400 1.400 1.400 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.149 ppm2 9.408 CV 1 ASSI { 1433} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.151 ppm2 4.725 CV 1 ASSI { 1434} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 65 and name HA )) 2.900 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 6.900 ppm2 3.449 CV 1 ASSI { 1435} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 78 and name HN )) 3.700 1.700 1.700 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.889 ppm2 8.054 CV 1 ASSI { 1437} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 20 and name HA1 )) 3.700 1.700 1.700 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.827 ppm2 3.729 CV 1 ASSI { 1438} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 37 and name HA )) 3.300 1.400 1.400 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.735 ppm2 4.487 CV 1 ASSI { 1439} (( segid " 1SG" and resid 92 and name HN )) (( segid " 1SG" and resid 39 and name HA )) 3.200 1.300 1.300 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.735 ppm2 4.801 CV 1 ASSI { 1440} (( segid " 1SG" and resid 88 and name HN )) (( segid " 1SG" and resid 43 and name HA )) 3.100 1.200 1.200 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 9.108 ppm2 4.132 CV 1 ASSI { 1441} (( segid " 1SG" and resid 86 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.400 1.500 1.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 7.948 ppm2 5.544 CV 1 ASSI { 1442} (( segid " 1SG" and resid 43 and name HN )) (( segid " 1SG" and resid 48 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.628 ppm2 4.192 CV 1 ASSI { 1443} (( segid " 1SG" and resid 104 and name HN )) (( segid " 1SG" and resid 86 and name HA2 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.796 ppm2 4.658 CV 1 ASSI { 1444} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 14 and name HN )) 2.900 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.400 ppm2 9.191 CV 1 ASSI { 1445} (( segid " 1SG" and resid 13 and name HN )) (( segid " 1SG" and resid 102 and name HA )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.30527E-02 ppm1 8.313 ppm2 4.987 CV 1 ASSI { 1446} (( segid " 1SG" and resid 9 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.887 ppm2 1.892 CV 1 ASSI { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB2 )) 2.700 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 5.579 ppm2 1.960 CV 1 OR { 1447} (( segid " 1SG" and resid 80 and name HN )) (( segid " 1SG" and resid 80 and name HB1 )) ASSI { 1448} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 23 and name HN )) 3.300 1.400 1.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.239 ppm2 7.917 CV 1 ASSI { 1449} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HD1 )) 3.700 3.700 2.300 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.447 ppm2 7.131 CV 1 ASSI { 1450} (( segid " 1SG" and resid 46 and name HN )) (( segid " 1SG" and resid 46 and name HD1 )) 2.600 0.900 0.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.216 ppm2 7.132 CV 1 ASSI { 1452} (( segid " 1SG" and resid 56 and name HN )) (( segid " 1SG" and resid 56 and name HB2 )) 3.300 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.383 ppm2 3.101 CV 1 ASSI { 1453} (( segid " 1SG" and resid 14 and name HN )) (( segid " 1SG" and resid 103 and name HB2 )) 2.800 2.800 3.200 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.184 ppm2 2.498 CV 1 ASSI { 1455} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.900 1.000 1.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.948 ppm2 6.794 CV 1 ASSI { 1456} (( segid " 1SG" and resid 86 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.200 3.200 2.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.946 ppm2 1.498 CV 1 ASSI { 1458} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 96 and name HB2 )) 3.200 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.144 ppm2 1.572 CV 1 ASSI { 1459} (( segid " 1SG" and resid 5 and name HN )) (( segid " 1SG" and resid 4 and name HG12)) 3.700 1.700 1.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.143 ppm2 1.230 CV 1 ASSI { 1460} (( segid " 1SG" and resid 67 and name HN )) (( segid " 1SG" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.421 ppm2 2.339 CV 1 ASSI { 1461} (( segid " 1SG" and resid 20 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.824 ppm2 0.376 CV 1 ASSI { 1462} (( segid " 1SG" and resid 20 and name HN )) (( segid " 1SG" and resid 18 and name HN )) 3.200 3.200 2.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.828 ppm2 8.005 CV 1 ASSI { 1463} (( segid " 1SG" and resid 62 and name HN )) (( segid " 1SG" and resid 63 and name HN )) 3.300 1.400 1.400 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.848 ppm2 8.521 CV 1 ASSI { 1465} (( segid " 1SG" and resid 95 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.971 ppm2 2.631 CV 1 ASSI { 1466} (( segid " 1SG" and resid 95 and name HN )) ( segid " 1SG" and resid 93 and name HG2%) 3.400 1.500 1.500 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.969 ppm2 1.024 CV 1 ASSI { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.254 ppm2 2.168 CV 1 OR { 1468} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1469} (( segid " 1SG" and resid 83 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 2.900 1.000 1.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.253 ppm2 1.861 CV 1 ASSI { 1471} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.000 1.100 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.254 ppm2 0.372 CV 1 ASSI { 1472} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 97 and name HD% ) 3.100 3.100 2.900 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.557 ppm2 7.094 CV 1 ASSI { 1473} (( segid " 1SG" and resid 93 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 2.400 2.400 3.600 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.557 ppm2 0.177 CV 1 ASSI { 1477} (( segid " 1SG" and resid 85 and name HN )) (( segid " 1SG" and resid 103 and name HA )) 3.400 3.400 2.600 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.405 ppm2 5.536 CV 1 ASSI { 1478} (( segid " 1SG" and resid 25 and name HN )) ( segid " 1SG" and resid 23 and name HG2%) 3.300 1.400 1.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.401 ppm2 0.771 CV 1 ASSI { 1480} (( segid " 1SG" and resid 44 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 2.600 0.900 0.900 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.211 ppm2 6.801 CV 1 ASSI { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD1 )) 3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.212 ppm2 1.314 CV 1 OR { 1482} (( segid " 1SG" and resid 44 and name HN )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1484} (( segid " 1SG" and resid 51 and name HN )) ( segid " 1SG" and resid 53 and name HG2%) 3.300 1.300 1.300 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.879 ppm2 1.071 CV 1 ASSI { 1485} (( segid " 1SG" and resid 51 and name HN )) (( segid " 1SG" and resid 52 and name HB2 )) 3.500 1.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.881 ppm2 1.710 CV 1 ASSI { 1486} (( segid " 1SG" and resid 7 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.400 1.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.875 ppm2 0.469 CV 1 ASSI { 1488} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.940 ppm2 2.935 CV 1 ASSI { 1489} (( segid " 1SG" and resid 50 and name HN )) (( segid " 1SG" and resid 51 and name HA )) 3.400 1.400 1.400 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.941 ppm2 4.555 CV 1 ASSI { 1490} (( segid " 1SG" and resid 69 and name HN )) ( segid " 1SG" and resid 63 and name HD% ) 2.400 2.400 3.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 6.899 ppm2 5.903 CV 1 ASSI { 1491} (( segid " 1SG" and resid 69 and name HN )) (( segid " 1SG" and resid 67 and name HA )) 3.500 1.500 1.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 6.897 ppm2 4.292 CV 1 ASSI { 1494} (( segid " 1SG" and resid 83 and name HN )) ( segid " 1SG" and resid 79 and name HB% ) 3.500 1.500 1.500 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.257 ppm2 1.183 CV 1 ASSI { 1495} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 3.200 3.200 2.800 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.272 ppm2 0.629 CV 1 ASSI { 1496} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 2.400 2.400 3.600 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.273 ppm2 1.513 CV 1 ASSI { 1497} (( segid " 1SG" and resid 70 and name HN )) ( segid " 1SG" and resid 70 and name HE% ) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.270 ppm2 6.632 CV 1 ASSI { 1498} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 100 and name HN )) 3.300 1.400 1.400 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.228 ppm2 8.896 CV 1 ASSI { 1499} (( segid " 1SG" and resid 99 and name HN )) (( segid " 1SG" and resid 98 and name HN )) 3.300 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.228 ppm2 8.427 CV 1 ASSI { 1501} (( segid " 1SG" and resid 80 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.200 1.300 1.300 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 5.580 ppm2 7.264 CV 1 ASSI { 1503} (( segid " 1SG" and resid 35 and name HN )) (( segid " 1SG" and resid 34 and name HN )) 2.600 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.510 ppm2 8.687 CV 1 ASSI { 1504} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 6 and name HD2%) 3.000 1.100 1.100 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.734 ppm2 0.473 CV 1 ASSI { 1505} (( segid " 1SG" and resid 92 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 2.400 2.400 3.600 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.735 ppm2 -0.083 CV 1 ASSI { 1506} (( segid " 1SG" and resid 19 and name HN )) ( segid " 1SG" and resid 16 and name HG2%) 3.100 1.200 1.200 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.827 ppm2 0.599 CV 1 ASSI { 1507} (( segid " 1SG" and resid 42 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 1.400 1.400 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.445 ppm2 1.011 CV 1 ASSI { 1510} (( segid " 1SG" and resid 42 and name HN )) (( segid " 1SG" and resid 41 and name HB2 )) 3.400 1.500 1.500 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.448 ppm2 3.149 CV 1 ASSI { 1511} (( segid " 1SG" and resid 103 and name HN )) (( segid " 1SG" and resid 103 and name HD21)) 2.900 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.241 ppm2 7.722 CV 1 ASSI { 1513} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HE% ) 3.400 3.400 2.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.973 ppm2 7.265 CV 1 ASSI { 1514} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.973 ppm2 7.109 CV 1 ASSI { 1515} (( segid " 1SG" and resid 79 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.973 ppm2 0.382 CV 1 ASSI { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD2 )) 3.500 1.500 1.500 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.896 ppm2 3.106 CV 1 OR { 1518} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1519} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 9 and name HG2 )) 3.200 1.300 1.300 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.892 ppm2 2.504 CV 1 ASSI { 1520} (( segid " 1SG" and resid 100 and name HN )) (( segid " 1SG" and resid 89 and name HB2 )) 2.900 2.900 3.100 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.895 ppm2 2.307 CV 1 ASSI { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG2 )) 2.700 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.890 ppm2 1.675 CV 1 OR { 1521} (( segid " 1SG" and resid 27 and name HN )) (( segid " 1SG" and resid 27 and name HG1 )) ASSI { 1522} (( segid " 1SG" and resid 27 and name HN )) ( segid " 1SG" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.891 ppm2 0.632 CV 1 ASSI { 1523} (( segid " 1SG" and resid 94 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.500 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.338 ppm2 4.555 CV 1 ASSI { 1526} (( segid " 1SG" and resid 17 and name HN )) ( segid " 1SG" and resid 106 and name HG2%) 3.100 3.100 2.900 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.898 ppm2 0.371 CV 1 ASSI { 1527} (( segid " 1SG" and resid 73 and name HN )) (( segid " 1SG" and resid 61 and name HB2 )) 2.400 2.400 3.600 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.450 ppm2 2.295 CV 1 ASSI { 1534} (( segid " 1SG" and resid 15 and name HN )) (( segid " 1SG" and resid 16 and name HB )) 3.000 3.000 3.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.502 ppm2 1.802 CV 1 ASSI { 1535} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.374 ppm2 -0.453 CV 1 ASSI { 1537} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 68 and name HA )) 3.700 1.700 1.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.106 ppm2 3.600 CV 1 ASSI { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD1 )) 2.400 2.400 3.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.106 ppm2 3.228 CV 1 OR { 1538} (( segid " 1SG" and resid 66 and name HN )) (( segid " 1SG" and resid 65 and name HD2 )) ASSI { 1539} (( segid " 1SG" and resid 84 and name HN )) ( segid " 1SG" and resid 83 and name HD% ) 3.600 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.866 ppm2 7.112 CV 1 ASSI { 1540} (( segid " 1SG" and resid 58 and name HN )) (( segid " 1SG" and resid 74 and name HA )) 3.300 1.400 1.400 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.940 ppm2 4.324 CV 1 ASSI { 1542} (( segid " 1SG" and resid 22 and name HN )) (( segid " 1SG" and resid 22 and name HG12)) 3.600 1.600 1.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.888 ppm2 0.075 CV 1 ASSI { 1543} (( segid " 1SG" and resid 104 and name HN )) ( segid " 1SG" and resid 106 and name HG1%) 3.100 3.100 2.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.793 ppm2 0.667 CV 1 ASSI { 1549} (( segid " 1SG" and resid 26 and name HN )) (( segid " 1SG" and resid 27 and name HN )) 3.300 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.498 ppm2 8.892 CV 1 ASSI { 1550} (( segid " 1SG" and resid 26 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.300 3.300 2.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.498 ppm2 7.311 CV 1 ASSI { 1552} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 49 and name HD2%) 3.400 3.400 2.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.306 ppm2 1.018 CV 1 ASSI { 1553} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.307 ppm2 0.856 CV 1 ASSI { 1554} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 59 and name HD2%) 3.400 3.400 2.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.307 ppm2 0.688 CV 1 ASSI { 1555} (( segid " 1SG" and resid 41 and name HN )) ( segid " 1SG" and resid 39 and name HG1%) 3.200 3.200 2.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.308 ppm2 -0.081 CV 1 ASSI { 1557} (( segid " 1SG" and resid 24 and name HN )) (( segid " 1SG" and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.237 ppm2 -0.838 CV 1 ASSI { 1560} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 76 and name HD1%) 3.100 1.200 1.200 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.926 ppm2 0.649 CV 1 ASSI { 1561} (( segid " 1SG" and resid 76 and name HN )) ( segid " 1SG" and resid 74 and name HD1%) 3.300 3.300 2.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.926 ppm2 0.405 CV 1 ASSI { 1563} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 90 and name HB2 )) 3.300 1.300 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.696 ppm2 2.025 CV 1 ASSI { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD2 )) 3.000 1.100 1.100 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.694 ppm2 1.685 CV 1 OR { 1564} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HD1 )) ASSI { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG1 )) 2.500 0.800 0.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.694 ppm2 1.238 CV 1 OR { 1565} (( segid " 1SG" and resid 40 and name HN )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 1566} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 41 and name HH2 )) 3.200 3.200 2.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.470 ppm2 6.611 CV 1 ASSI { 1570} (( segid " 1SG" and resid 74 and name HN )) (( segid " 1SG" and resid 75 and name HN )) 3.200 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.471 ppm2 9.160 CV 1 ASSI { 1572} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 28 and name HG1%) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.052 ppm2 0.818 CV 1 ASSI { 1573} (( segid " 1SG" and resid 8 and name HN )) ( segid " 1SG" and resid 29 and name HB% ) 3.600 1.600 1.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.052 ppm2 1.513 CV 1 ASSI { 1574} (( segid " 1SG" and resid 8 and name HN )) (( segid " 1SG" and resid 7 and name HB2 )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.052 ppm2 2.577 CV 1 ASSI { 1576} (( segid " 1SG" and resid 87 and name HN )) ( segid " 1SG" and resid 87 and name HE% ) 3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.114 ppm2 6.589 CV 1 ASSI { 1577} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 29 and name HA )) 3.100 3.100 2.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.417 ppm2 4.392 CV 1 ASSI { 1578} (( segid " 1SG" and resid 31 and name HN )) (( segid " 1SG" and resid 30 and name HA1 )) 2.500 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.418 ppm2 3.945 CV 1 ASSI { 1579} (( segid " 1SG" and resid 71 and name HN )) (( segid " 1SG" and resid 62 and name HA )) 2.900 2.900 3.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.722 ppm2 4.598 CV 1 ASSI { 1582} (( segid " 1SG" and resid 10 and name HN )) (( segid " 1SG" and resid 9 and name HB2 )) 3.400 1.400 1.400 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.852 ppm2 1.895 CV 1 ASSI { 1584} (( segid " 1SG" and resid 41 and name HE1 )) (( segid " 1SG" and resid 41 and name HH2 )) 3.500 1.600 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 10.779 ppm2 6.612 CV 1 ASSI { 1585} (( segid " 1SG" and resid 21 and name HN )) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 8.170 ppm2 3.751 CV 1 ASSI { 1587} (( segid " 1SG" and resid 23 and name HN )) ( segid " 1SG" and resid 22 and name HG2%) 3.600 1.600 1.600 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.913 ppm2 0.580 CV 1 ASSI { 1588} (( segid " 1SG" and resid 28 and name HN )) (( segid " 1SG" and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 9.673 ppm2 2.815 CV 1 ASSI { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.892 ppm2 1.363 CV 1 OR { 1589} (( segid " 1SG" and resid 39 and name HN )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1590} (( segid " 1SG" and resid 39 and name HN )) ( segid " 1SG" and resid 91 and name HG2%) 3.500 1.500 1.500 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.30542E-02 ppm1 7.893 ppm2 0.175 CV 1 ASSI { 1592} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 93 and name HB )) 2.600 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 7.547 ppm2 4.555 CV 1 ASSI { 1593} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HB2 )) 3.400 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 7.546 ppm2 2.632 CV 1 ASSI { 1595} (( segid " 1SG" and resid 96 and name HN )) (( segid " 1SG" and resid 95 and name HA )) 3.000 1.100 1.100 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 7.548 ppm2 4.750 CV 1 ASSI { 1597} (( segid " 1SG" and resid 101 and name HN )) (( segid " 1SG" and resid 100 and name HB2 )) 3.500 1.500 1.500 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 9.044 ppm2 2.950 CV 1 ASSI { 1598} (( segid " 1SG" and resid 105 and name HN )) ( segid " 1SG" and resid 84 and name HG2%) 3.300 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 8.401 ppm2 1.492 CV 1 ASSI { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 8.404 ppm2 2.261 CV 1 OR { 1599} (( segid " 1SG" and resid 105 and name HN )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1600} (( segid " 1SG" and resid 98 and name HN )) (( segid " 1SG" and resid 91 and name HA )) 2.400 2.400 3.600 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 8.399 ppm2 4.758 CV 1 ASSI { 1602} (( segid " 1SG" and resid 106 and name HN )) (( segid " 1SG" and resid 105 and name HB )) 3.200 1.300 1.300 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 8.150 ppm2 3.935 CV 1 ASSI { 1603} (( segid " 1SG" and resid 107 and name HN )) (( segid " 1SG" and resid 106 and name HB )) 3.500 1.500 1.500 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 8.820 ppm2 1.850 CV 1 ASSI { 1605} (( segid " 1SG" and resid 38 and name HN )) ( segid " 1SG" and resid 38 and name HG2%) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 8.373 ppm2 0.790 CV 1 ASSI { 1606} (( segid " 1SG" and resid 19 and name HN )) (( segid " 1SG" and resid 19 and name HA2 )) 2.600 0.800 0.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 9.828 ppm2 4.311 CV 1 ASSI { 1608} (( segid " 1SG" and resid 85 and name HN )) ( segid " 1SG" and resid 87 and name HD% ) 3.200 3.200 2.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 9.409 ppm2 6.792 CV 1 ASSI { 1609} (( segid " 1SG" and resid 101 and name HD21)) (( segid " 1SG" and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 7.436 ppm2 2.696 CV 1 ASSI { 1613} (( segid " 1SG" and resid 28 and name HN )) ( segid " 1SG" and resid 72 and name HD% ) 3.000 1.200 1.200 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.30604E-02 ppm1 9.673 ppm2 7.309 CV 1 ASSI { 1614} (( segid " 1SG" and resid 68 and name HN )) (( segid " 1SG" and resid 66 and name HA )) 3.400 1.400 1.400 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.30588E-02 ppm1 7.876 ppm2 4.125 CV 1 ASSI { 1} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.84955E-02 ppm1 1.317 ppm2 0.086 CV 1 OR { 1} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 43 and name HG2 )) ASSI { 2} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 89 and name HA )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.84981E-02 ppm1 5.478 ppm2 4.971 CV 1 ASSI { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB2 )) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.85020E-02 ppm1 1.688 ppm2 1.765 CV 1 OR { 16} (( segid " 1SG" and resid 65 and name HG1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 16} (( segid " 1SG" and resid 65 and name HG2 )) (( segid " 1SG" and resid 65 and name HB1 )) ASSI { 40} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB1 )) 2.100 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.84981E-02 ppm1 5.471 ppm2 1.987 CV 1 OR { 40} (( segid " 1SG" and resid 15 and name HA )) (( segid " 1SG" and resid 15 and name HB2 )) ASSI { 41} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.500 2.500 3.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.83823E-02 ppm1 5.495 ppm2 2.057 CV 1 ASSI { 98} (( segid " 1SG" and resid 87 and name HA )) (( segid " 1SG" and resid 43 and name HA )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.83823E-02 ppm1 4.980 ppm2 4.145 CV 1 ASSI { 134} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 1 and name HB2 )) 2.300 0.700 0.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.83960E-02 ppm1 4.624 ppm2 2.609 CV 1 ASSI { 159} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 37 and name HA )) 2.200 0.600 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.84819E-02 ppm1 1.041 ppm2 4.505 CV 1 ASSI { 167} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG1 )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.83960E-02 ppm1 4.550 ppm2 1.286 CV 1 OR { 167} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HG2 )) ASSI { 173} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 38 and name HA )) 1.600 1.600 4.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.23748E-01 ppm1 3.883 ppm2 3.881 CV 1 OR { 173} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 38 and name HA )) ASSI { 174} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.000 2.000 4.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.23292E-01 ppm1 2.926 ppm2 2.791 CV 1 ASSI { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.83960E-02 ppm1 4.518 ppm2 3.914 CV 1 OR { 175} (( segid " 1SG" and resid 32 and name HA )) (( segid " 1SG" and resid 32 and name HB2 )) ASSI { 183} (( segid " 1SG" and resid 74 and name HA )) (( segid " 1SG" and resid 59 and name HA )) 2.000 0.500 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.83960E-02 ppm1 4.344 ppm2 5.189 CV 1 ASSI { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD2%) 2.100 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.83960E-02 ppm1 4.326 ppm2 0.405 CV 1 OR { 185} (( segid " 1SG" and resid 74 and name HA )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG2 )) 1.800 0.400 0.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19690E-01 ppm1 1.680 ppm2 1.415 CV 1 OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 218} (( segid " 1SG" and resid 94 and name HD2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 218} (( segid " 1SG" and resid 94 and name HD1 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 219} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HG2 )) 1.900 0.500 0.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.19640E-01 ppm1 1.784 ppm2 1.983 CV 1 OR { 219} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HG1 )) ASSI { 275} (( segid " 1SG" and resid 81 and name HB2 )) (( segid " 1SG" and resid 81 and name HA )) 2.300 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.84109E-02 ppm1 1.927 ppm2 4.000 CV 1 ASSI { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HB )) 2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13874E-01 ppm1 1.497 ppm2 4.224 CV 1 OR { 282} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 84 and name HA )) ASSI { 302} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 4 and name HB )) 2.100 0.600 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.84135E-02 ppm1 0.966 ppm2 2.051 CV 1 ASSI { 313} ( segid " 1SG" and resid 66 and name HB% ) (( segid " 1SG" and resid 66 and name HA )) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11692E-01 ppm1 1.419 ppm2 4.132 CV 1 ASSI { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB2 )) 2.100 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.346 ppm2 1.779 CV 1 OR { 316} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HB1 )) OR { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB2 )) OR { 316} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 318} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 52 and name HB2 )) 2.100 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.347 ppm2 1.689 CV 1 OR { 318} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 52 and name HB2 )) ASSI { 323} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HB2 )) 2.100 0.600 0.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.415 ppm2 1.794 CV 1 OR { 323} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HB2 )) ASSI { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD2%) 2.200 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 0.934 ppm2 0.862 CV 1 OR { 328} (( segid " 1SG" and resid 34 and name HG )) ( segid " 1SG" and resid 34 and name HD1%) ASSI { 335} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 4 and name HB )) 2.500 2.500 3.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10649E-01 ppm1 2.299 ppm2 2.004 CV 1 OR { 335} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 339} ( segid " 1SG" and resid 16 and name HG2%) ( segid " 1SG" and resid 16 and name HG1%) 2.100 0.600 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10602E-01 ppm1 0.630 ppm2 0.981 CV 1 ASSI { 342} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HD2 )) 2.200 2.200 3.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.641 ppm2 3.510 CV 1 ASSI { 349} ( segid " 1SG" and resid 82 and name HB% ) (( segid " 1SG" and resid 82 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10192E-01 ppm1 1.321 ppm2 4.210 CV 1 ASSI { 354} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 23 and name HB )) 2.200 2.200 3.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10068E-01 ppm1 3.720 ppm2 3.604 CV 1 ASSI { 356} (( segid " 1SG" and resid 104 and name HG )) (( segid " 1SG" and resid 104 and name HB2 )) 2.100 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.339 ppm2 1.226 CV 1 ASSI { 357} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD1%) 2.100 0.600 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.341 ppm2 0.980 CV 1 ASSI { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.99588E-02 ppm1 3.238 ppm2 1.683 CV 1 OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG1 )) OR { 358} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HG2 )) OR { 358} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 359} (( segid " 1SG" and resid 104 and name HG )) ( segid " 1SG" and resid 104 and name HD2%) 2.100 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.342 ppm2 0.832 CV 1 ASSI { 364} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 59 and name HD2%) 2.100 0.600 0.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.424 ppm2 0.682 CV 1 ASSI { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.100 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.84285E-02 ppm1 1.245 ppm2 0.917 CV 1 OR { 375} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HG2%) ASSI { 377} ( segid " 1SG" and resid 71 and name HD2%) ( segid " 1SG" and resid 71 and name HD1%) 2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.95370E-02 ppm1 0.746 ppm2 0.857 CV 1 ASSI { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.84311E-02 ppm1 3.587 ppm2 0.967 CV 1 OR { 384} (( segid " 1SG" and resid 81 and name HD2 )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB1 )) 2.100 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.92454E-02 ppm1 0.935 ppm2 1.675 CV 1 OR { 388} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HB2 )) ASSI { 405} (( segid " 1SG" and resid 96 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 2.100 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.84311E-02 ppm1 1.583 ppm2 0.481 CV 1 ASSI { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD1 )) 2.100 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.89258E-02 ppm1 1.791 ppm2 1.632 CV 1 OR { 406} (( segid " 1SG" and resid 35 and name HB1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 406} (( segid " 1SG" and resid 35 and name HB2 )) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 414} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) 2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.84428E-02 ppm1 1.739 ppm2 0.923 CV 1 ASSI { 415} ( segid " 1SG" and resid 31 and name HB% ) (( segid " 1SG" and resid 31 and name HA )) 2.100 0.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.88028E-02 ppm1 1.537 ppm2 4.174 CV 1 ASSI { 420} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HB )) 2.100 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.86876E-02 ppm1 0.923 ppm2 3.904 CV 1 ASSI { 425} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 76 and name HG2%) 2.100 0.600 0.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.85561E-02 ppm1 0.678 ppm2 0.829 CV 1 ASSI { 427} ( segid " 1SG" and resid 59 and name HD1%) ( segid " 1SG" and resid 59 and name HD2%) 2.200 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.84903E-02 ppm1 0.863 ppm2 0.716 CV 1 ASSI { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.100 0.600 0.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.83283E-02 ppm1 2.967 ppm2 1.689 CV 1 OR { 435} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HD2 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD1 )) OR { 435} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 438} (( segid " 1SG" and resid 108 and name HG2 )) ( segid " 1SG" and resid 18 and name HG2%) 2.100 0.500 0.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.84565E-02 ppm1 2.209 ppm2 0.961 CV 1 OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG2%) OR { 438} (( segid " 1SG" and resid 108 and name HG1 )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 443} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 106 and name HG1%) 2.200 0.600 0.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.81115E-02 ppm1 0.390 ppm2 0.692 CV 1 ASSI { 449} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HB2 )) 2.100 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.84565E-02 ppm1 0.863 ppm2 1.307 CV 1 ASSI { 456} (( segid " 1SG" and resid 69 and name HB )) ( segid " 1SG" and resid 69 and name HG2%) 2.200 0.600 0.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.78869E-02 ppm1 1.767 ppm2 0.861 CV 1 OR { 456} (( segid " 1SG" and resid 69 and name HB )) ( segid " 1SG" and resid 69 and name HG1%) ASSI { 458} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 23 and name HB )) 2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.78596E-02 ppm1 0.783 ppm2 3.578 CV 1 ASSI { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD2 )) 2.100 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.76735E-02 ppm1 2.950 ppm2 1.649 CV 1 OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD1 )) OR { 463} (( segid " 1SG" and resid 35 and name HE1 )) (( segid " 1SG" and resid 35 and name HD2 )) OR { 463} (( segid " 1SG" and resid 35 and name HE2 )) (( segid " 1SG" and resid 35 and name HD1 )) ASSI { 464} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HG2%) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.84565E-02 ppm1 4.027 ppm2 0.915 CV 1 ASSI { 478} ( segid " 1SG" and resid 84 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.73910E-02 ppm1 1.498 ppm2 4.518 CV 1 ASSI { 480} (( segid " 1SG" and resid 17 and name HB )) ( segid " 1SG" and resid 17 and name HG2%) 2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.73649E-02 ppm1 4.089 ppm2 1.298 CV 1 ASSI { 482} ( segid " 1SG" and resid 34 and name HD2%) (( segid " 1SG" and resid 34 and name HA )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.73161E-02 ppm1 0.863 ppm2 4.298 CV 1 OR { 482} ( segid " 1SG" and resid 34 and name HD1%) (( segid " 1SG" and resid 34 and name HA )) ASSI { 485} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 6 and name HD2%) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.72491E-02 ppm1 0.674 ppm2 0.488 CV 1 ASSI { 500} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 2.000 0.500 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.84981E-02 ppm1 0.799 ppm2 1.765 CV 1 ASSI { 501} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 2.100 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.84597E-02 ppm1 0.184 ppm2 1.380 CV 1 OR { 501} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 504} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 69 and name HA )) 2.200 0.600 0.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.70160E-02 ppm1 0.862 ppm2 4.593 CV 1 OR { 504} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 69 and name HA )) ASSI { 507} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 38 and name HB )) 2.200 0.600 0.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.69822E-02 ppm1 0.828 ppm2 1.896 CV 1 OR { 507} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 38 and name HB )) ASSI { 511} (( segid " 1SG" and resid 77 and name HB )) ( segid " 1SG" and resid 77 and name HG2%) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.69594E-02 ppm1 4.025 ppm2 1.045 CV 1 ASSI { 515} ( segid " 1SG" and resid 47 and name HG2%) ( segid " 1SG" and resid 47 and name HG1%) 2.300 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.69295E-02 ppm1 0.794 ppm2 0.992 CV 1 ASSI { 520} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.500 2.500 3.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.84623E-02 ppm1 0.799 ppm2 2.893 CV 1 OR { 520} ( segid " 1SG" and resid 23 and name HG2%) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 522} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.68357E-02 ppm1 -0.062 ppm2 -0.447 CV 1 ASSI { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG2 )) 2.200 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.68110E-02 ppm1 1.579 ppm2 1.341 CV 1 OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG1 )) OR { 524} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HG2 )) OR { 524} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HG1 )) ASSI { 527} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 59 and name HD1%) 2.500 2.500 3.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.84623E-02 ppm1 0.848 ppm2 0.850 CV 1 ASSI { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.67095E-02 ppm1 0.714 ppm2 0.412 CV 1 OR { 541} ( segid " 1SG" and resid 59 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 544} (( segid " 1SG" and resid 54 and name HA1 )) (( segid " 1SG" and resid 54 and name HA2 )) 2.000 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.66971E-02 ppm1 3.915 ppm2 4.302 CV 1 ASSI { 558} ( segid " 1SG" and resid 29 and name HB% ) (( segid " 1SG" and resid 29 and name HA )) 2.200 0.600 0.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.65086E-02 ppm1 1.520 ppm2 4.393 CV 1 ASSI { 561} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 43 and name HB2 )) 2.000 2.000 4.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.64125E-02 ppm1 1.588 ppm2 1.244 CV 1 OR { 561} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 566} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 28 and name HG1%) 2.300 0.700 0.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.63778E-02 ppm1 0.653 ppm2 0.826 CV 1 ASSI { 571} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HB )) 2.200 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63383E-02 ppm1 1.040 ppm2 4.557 CV 1 ASSI { 572} ( segid " 1SG" and resid 104 and name HD2%) ( segid " 1SG" and resid 104 and name HD1%) 2.300 0.700 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.63137E-02 ppm1 0.836 ppm2 0.981 CV 1 ASSI { 574} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HB )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.62826E-02 ppm1 1.080 ppm2 2.129 CV 1 OR { 574} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HB )) ASSI { 580} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 16 and name HG2%) 2.200 0.600 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.84623E-02 ppm1 1.195 ppm2 0.629 CV 1 ASSI { 581} (( segid " 1SG" and resid 67 and name HB2 )) (( segid " 1SG" and resid 67 and name HA )) 2.300 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.62026E-02 ppm1 3.729 ppm2 4.301 CV 1 OR { 581} (( segid " 1SG" and resid 67 and name HB1 )) (( segid " 1SG" and resid 67 and name HA )) ASSI { 582} (( segid " 1SG" and resid 53 and name HB )) ( segid " 1SG" and resid 53 and name HG1%) 2.300 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.61977E-02 ppm1 2.134 ppm2 1.116 CV 1 ASSI { 590} (( segid " 1SG" and resid 55 and name HA )) (( segid " 1SG" and resid 55 and name HG1 )) 2.300 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.61065E-02 ppm1 4.000 ppm2 1.983 CV 1 OR { 590} (( segid " 1SG" and resid 55 and name HA )) (( segid " 1SG" and resid 55 and name HG2 )) ASSI { 594} ( segid " 1SG" and resid 76 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.100 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 0.676 ppm2 0.417 CV 1 ASSI { 604} (( segid " 1SG" and resid 85 and name HA1 )) (( segid " 1SG" and resid 85 and name HA2 )) 2.000 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.60153E-02 ppm1 3.939 ppm2 4.518 CV 1 ASSI { 606} (( segid " 1SG" and resid 102 and name HA )) (( segid " 1SG" and resid 102 and name HB2 )) 2.100 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 4.981 ppm2 2.748 CV 1 ASSI { 611} (( segid " 1SG" and resid 20 and name HA2 )) (( segid " 1SG" and resid 20 and name HA1 )) 2.000 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.59264E-02 ppm1 4.387 ppm2 3.737 CV 1 ASSI { 613} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 2 and name HA )) 2.300 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.59020E-02 ppm1 3.854 ppm2 4.913 CV 1 OR { 613} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 2 and name HA )) ASSI { 617} (( segid " 1SG" and resid 84 and name HB )) ( segid " 1SG" and resid 84 and name HG2%) 2.300 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.58505E-02 ppm1 4.220 ppm2 1.497 CV 1 ASSI { 623} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG2%) 2.300 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.57968E-02 ppm1 1.893 ppm2 0.790 CV 1 ASSI { 625} (( segid " 1SG" and resid 49 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.200 0.600 0.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.57539E-02 ppm1 0.805 ppm2 1.028 CV 1 ASSI { 628} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG2%) 2.300 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.56995E-02 ppm1 0.172 ppm2 -0.446 CV 1 OR { 628} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG2%) ASSI { 630} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 79 and name HA )) 2.300 0.600 0.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.56108E-02 ppm1 1.196 ppm2 3.690 CV 1 ASSI { 645} (( segid " 1SG" and resid 8 and name HB )) ( segid " 1SG" and resid 8 and name HG2%) 2.300 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.54454E-02 ppm1 1.825 ppm2 0.967 CV 1 OR { 645} (( segid " 1SG" and resid 8 and name HB )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.54329E-02 ppm1 2.041 ppm2 2.277 CV 1 OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB1 )) (( segid " 1SG" and resid 15 and name HG1 )) OR { 647} (( segid " 1SG" and resid 15 and name HB2 )) (( segid " 1SG" and resid 15 and name HG2 )) ASSI { 649} ( segid " 1SG" and resid 105 and name HG2%) (( segid " 1SG" and resid 105 and name HA )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.54142E-02 ppm1 0.923 ppm2 4.518 CV 1 ASSI { 650} (( segid " 1SG" and resid 4 and name HG12)) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 2.500 3.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.54141E-02 ppm1 1.248 ppm2 1.588 CV 1 ASSI { 651} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 8 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.53919E-02 ppm1 0.964 ppm2 4.174 CV 1 OR { 651} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 8 and name HA )) ASSI { 653} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) 2.400 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.53765E-02 ppm1 0.612 ppm2 0.416 CV 1 OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD1%) OR { 653} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 655} (( segid " 1SG" and resid 92 and name HB2 )) (( segid " 1SG" and resid 92 and name HA )) 2.300 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.53629E-02 ppm1 3.943 ppm2 5.264 CV 1 OR { 655} (( segid " 1SG" and resid 92 and name HB1 )) (( segid " 1SG" and resid 92 and name HA )) ASSI { 656} (( segid " 1SG" and resid 38 and name HB )) ( segid " 1SG" and resid 38 and name HG1%) 2.300 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.53525E-02 ppm1 1.893 ppm2 0.842 CV 1 ASSI { 660} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.52774E-02 ppm1 1.940 ppm2 1.009 CV 1 ASSI { 662} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HG )) 2.300 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.52394E-02 ppm1 0.671 ppm2 1.331 CV 1 ASSI { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG1 )) 2.400 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.51872E-02 ppm1 2.982 ppm2 1.410 CV 1 OR { 667} (( segid " 1SG" and resid 94 and name HE1 )) (( segid " 1SG" and resid 94 and name HG2 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG1 )) OR { 667} (( segid " 1SG" and resid 94 and name HE2 )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG1%) 2.300 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.51733E-02 ppm1 1.940 ppm2 0.968 CV 1 OR { 669} (( segid " 1SG" and resid 18 and name HB )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 676} (( segid " 1SG" and resid 32 and name HB2 )) (( segid " 1SG" and resid 33 and name HA )) 2.500 2.500 3.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.51179E-02 ppm1 3.910 ppm2 4.466 CV 1 OR { 676} (( segid " 1SG" and resid 32 and name HB1 )) (( segid " 1SG" and resid 33 and name HA )) ASSI { 677} ( segid " 1SG" and resid 104 and name HD1%) ( segid " 1SG" and resid 22 and name HG2%) 2.300 0.700 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.51178E-02 ppm1 0.982 ppm2 0.547 CV 1 ASSI { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD2%) 2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.51082E-02 ppm1 4.455 ppm2 0.875 CV 1 OR { 680} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HG )) OR { 680} (( segid " 1SG" and resid 33 and name HA )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD1 )) 2.300 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.51075E-02 ppm1 1.326 ppm2 1.682 CV 1 OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD2 )) OR { 681} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HD1 )) OR { 681} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HD2 )) ASSI { 682} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HB2 )) 2.300 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.51062E-02 ppm1 0.614 ppm2 1.465 CV 1 OR { 682} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HB2 )) ASSI { 684} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.100 0.600 0.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 1.079 ppm2 4.054 CV 1 OR { 684} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 685} (( segid " 1SG" and resid 44 and name HA1 )) (( segid " 1SG" and resid 44 and name HA2 )) 2.000 0.500 0.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50887E-02 ppm1 3.476 ppm2 3.825 CV 1 ASSI { 689} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 57 and name HG )) 2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.50613E-02 ppm1 0.618 ppm2 0.749 CV 1 OR { 689} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 57 and name HG )) ASSI { 690} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 59 and name HD1%) 2.400 0.700 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 1.118 ppm2 0.869 CV 1 ASSI { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD2%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 1.118 ppm2 0.614 CV 1 OR { 691} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 692} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 53 and name HG2%) 2.200 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 1.122 ppm2 1.070 CV 1 ASSI { 695} ( segid " 1SG" and resid 53 and name HG1%) ( segid " 1SG" and resid 57 and name HD1%) 2.400 0.700 0.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.50002E-02 ppm1 1.077 ppm2 0.618 CV 1 OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD2%) OR { 695} ( segid " 1SG" and resid 53 and name HG2%) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 699} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 53 and name HA )) 2.300 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.84682E-02 ppm1 1.119 ppm2 4.050 CV 1 ASSI { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB1 )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.48605E-02 ppm1 3.128 ppm2 1.583 CV 1 OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HB2 )) OR { 712} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 731} ( segid " 1SG" and resid 91 and name HG2%) (( segid " 1SG" and resid 91 and name HB )) 2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.47633E-02 ppm1 0.175 ppm2 1.130 CV 1 OR { 731} ( segid " 1SG" and resid 91 and name HG1%) (( segid " 1SG" and resid 91 and name HB )) ASSI { 736} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 8 and name HB )) 1.900 1.900 4.100 peak 736 spectrum 1 weight 0.10000E+01 volume 0.84845E-02 ppm1 0.874 ppm2 1.822 CV 1 ASSI { 739} (( segid " 1SG" and resid 14 and name HA2 )) (( segid " 1SG" and resid 14 and name HA1 )) 2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.47241E-02 ppm1 4.937 ppm2 3.749 CV 1 ASSI { 742} (( segid " 1SG" and resid 4 and name HG12)) ( segid " 1SG" and resid 4 and name HD1%) 2.400 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.47095E-02 ppm1 1.241 ppm2 0.966 CV 1 ASSI { 743} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 22 and name HG2%) 2.500 0.800 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.47045E-02 ppm1 0.989 ppm2 0.551 CV 1 OR { 743} ( segid " 1SG" and resid 16 and name HG1%) ( segid " 1SG" and resid 22 and name HD1%) ASSI { 745} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HG2 )) 2.100 0.500 0.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.84955E-02 ppm1 2.518 ppm2 0.081 CV 1 ASSI { 751} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.46592E-02 ppm1 1.039 ppm2 0.675 CV 1 ASSI { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE1 )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.45924E-02 ppm1 1.678 ppm2 3.029 CV 1 OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 760} (( segid " 1SG" and resid 68 and name HD2 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 760} (( segid " 1SG" and resid 68 and name HD1 )) (( segid " 1SG" and resid 68 and name HE2 )) ASSI { 761} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 6 and name HA )) 2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.45751E-02 ppm1 0.673 ppm2 4.461 CV 1 ASSI { 765} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG1%) 2.500 0.800 0.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.45520E-02 ppm1 1.194 ppm2 0.689 CV 1 ASSI { 772} ( segid " 1SG" and resid 6 and name HD2%) (( segid " 1SG" and resid 6 and name HG )) 2.300 0.700 0.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.45085E-02 ppm1 0.496 ppm2 1.330 CV 1 ASSI { 773} (( segid " 1SG" and resid 93 and name HB )) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.44981E-02 ppm1 4.558 ppm2 4.791 CV 1 ASSI { 776} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.44856E-02 ppm1 2.213 ppm2 1.913 CV 1 OR { 776} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HB2 )) ASSI { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB1 )) 2.600 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.44837E-02 ppm1 3.235 ppm2 1.762 CV 1 OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB1 )) OR { 777} (( segid " 1SG" and resid 65 and name HD2 )) (( segid " 1SG" and resid 65 and name HB2 )) OR { 777} (( segid " 1SG" and resid 65 and name HD1 )) (( segid " 1SG" and resid 65 and name HB2 )) ASSI { 781} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 18 and name HA )) 2.400 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.44714E-02 ppm1 0.966 ppm2 3.511 CV 1 ASSI { 785} (( segid " 1SG" and resid 16 and name HA )) ( segid " 1SG" and resid 16 and name HG1%) 2.600 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.44580E-02 ppm1 4.604 ppm2 0.981 CV 1 ASSI { 787} (( segid " 1SG" and resid 61 and name HB2 )) (( segid " 1SG" and resid 70 and name HB2 )) 2.800 2.800 3.200 peak 787 spectrum 1 weight 0.10000E+01 volume 0.44453E-02 ppm1 2.304 ppm2 2.785 CV 1 ASSI { 794} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG1%) 2.400 0.700 0.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.44020E-02 ppm1 3.904 ppm2 0.841 CV 1 ASSI { 795} (( segid " 1SG" and resid 30 and name HA1 )) (( segid " 1SG" and resid 30 and name HA2 )) 2.100 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.44018E-02 ppm1 3.952 ppm2 4.673 CV 1 ASSI { 798} (( segid " 1SG" and resid 35 and name HE1 )) ( segid " 1SG" and resid 38 and name HG2%) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.43961E-02 ppm1 2.906 ppm2 0.791 CV 1 OR { 798} (( segid " 1SG" and resid 35 and name HE2 )) ( segid " 1SG" and resid 38 and name HG2%) ASSI { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG1%) 2.500 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.43781E-02 ppm1 0.651 ppm2 0.165 CV 1 OR { 801} ( segid " 1SG" and resid 28 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 804} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.43691E-02 ppm1 0.186 ppm2 0.489 CV 1 OR { 804} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 6 and name HD2%) ASSI { 808} (( segid " 1SG" and resid 57 and name HG )) (( segid " 1SG" and resid 57 and name HB2 )) 2.300 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.43418E-02 ppm1 0.750 ppm2 1.460 CV 1 ASSI { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.43224E-02 ppm1 4.298 ppm2 1.673 CV 1 OR { 814} (( segid " 1SG" and resid 34 and name HA )) (( segid " 1SG" and resid 34 and name HB1 )) ASSI { 818} (( segid " 1SG" and resid 12 and name HG2 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.43039E-02 ppm1 2.482 ppm2 1.977 CV 1 OR { 818} (( segid " 1SG" and resid 12 and name HG1 )) (( segid " 1SG" and resid 12 and name HB2 )) ASSI { 826} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 26 and name HA )) 2.300 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.42513E-02 ppm1 1.469 ppm2 4.924 CV 1 ASSI { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42197E-02 ppm1 2.181 ppm2 1.949 CV 1 OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 80 and name HB1 )) OR { 828} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 80 and name HB2 )) ASSI { 833} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.41220E-02 ppm1 0.794 ppm2 2.534 CV 1 ASSI { 836} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HB )) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.40846E-02 ppm1 0.914 ppm2 2.051 CV 1 ASSI { 837} ( segid " 1SG" and resid 33 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.40835E-02 ppm1 0.872 ppm2 1.036 CV 1 OR { 837} ( segid " 1SG" and resid 33 and name HD1%) ( segid " 1SG" and resid 93 and name HG2%) ASSI { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HG2 )) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.40167E-02 ppm1 1.241 ppm2 0.603 CV 1 OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HG2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD1 )) (( segid " 1SG" and resid 45 and name HB2 )) OR { 852} (( segid " 1SG" and resid 45 and name HD2 )) (( segid " 1SG" and resid 45 and name HB2 )) ASSI { 854} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HB )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.39941E-02 ppm1 -0.446 ppm2 0.589 CV 1 ASSI { 857} ( segid " 1SG" and resid 47 and name HG1%) (( segid " 1SG" and resid 47 and name HB )) 2.400 0.700 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.39555E-02 ppm1 0.995 ppm2 2.528 CV 1 ASSI { 867} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HA )) 2.500 0.800 0.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 0.713 ppm2 5.190 CV 1 ASSI { 871} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 57 and name HD1%) 2.500 0.800 0.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.38758E-02 ppm1 0.412 ppm2 0.618 CV 1 OR { 871} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 57 and name HD2%) ASSI { 874} (( segid " 1SG" and resid 4 and name HB )) ( segid " 1SG" and resid 4 and name HG2%) 2.300 0.700 0.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.38609E-02 ppm1 2.054 ppm2 0.917 CV 1 OR { 874} (( segid " 1SG" and resid 4 and name HB )) ( segid " 1SG" and resid 4 and name HD1%) ASSI { 877} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 55 and name HG2 )) 2.200 2.200 3.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.38415E-02 ppm1 1.820 ppm2 2.047 CV 1 OR { 877} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 55 and name HG1 )) ASSI { 880} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 18 and name HA )) 2.500 0.800 0.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.38183E-02 ppm1 1.011 ppm2 3.517 CV 1 ASSI { 882} (( segid " 1SG" and resid 38 and name HA )) ( segid " 1SG" and resid 38 and name HG2%) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.38109E-02 ppm1 3.900 ppm2 0.791 CV 1 ASSI { 885} (( segid " 1SG" and resid 62 and name HB2 )) (( segid " 1SG" and resid 62 and name HA )) 2.600 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.37981E-02 ppm1 3.814 ppm2 4.609 CV 1 ASSI { 887} ( segid " 1SG" and resid 93 and name HG2%) (( segid " 1SG" and resid 93 and name HA )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.37961E-02 ppm1 1.040 ppm2 4.794 CV 1 ASSI { 892} (( segid " 1SG" and resid 18 and name HB )) (( segid " 1SG" and resid 17 and name HB )) 2.700 2.700 3.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.37774E-02 ppm1 1.932 ppm2 4.041 CV 1 ASSI { 894} (( segid " 1SG" and resid 52 and name HD2 )) ( segid " 1SG" and resid 47 and name HG1%) 2.500 2.500 3.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.37627E-02 ppm1 1.585 ppm2 0.965 CV 1 OR { 894} (( segid " 1SG" and resid 52 and name HD1 )) ( segid " 1SG" and resid 47 and name HG1%) ASSI { 895} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.37589E-02 ppm1 0.800 ppm2 1.561 CV 1 ASSI { 896} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 106 and name HB )) 2.400 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.37571E-02 ppm1 0.392 ppm2 1.861 CV 1 ASSI { 897} ( segid " 1SG" and resid 4 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 2.700 3.300 peak 897 spectrum 1 weight 0.10000E+01 volume 0.37529E-02 ppm1 0.965 ppm2 1.581 CV 1 ASSI { 898} ( segid " 1SG" and resid 106 and name HG1%) ( segid " 1SG" and resid 104 and name HD2%) 2.200 0.600 0.600 peak 898 spectrum 1 weight 0.10000E+01 volume 0.37497E-02 ppm1 0.694 ppm2 0.836 CV 1 ASSI { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD1 )) 2.400 2.400 3.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.37332E-02 ppm1 1.580 ppm2 1.690 CV 1 OR { 902} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 908} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HB )) 2.400 0.700 0.700 peak 908 spectrum 1 weight 0.10000E+01 volume 0.36816E-02 ppm1 0.695 ppm2 1.859 CV 1 ASSI { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG2 )) 2.300 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.36518E-02 ppm1 1.587 ppm2 1.335 CV 1 OR { 910} (( segid " 1SG" and resid 96 and name HB2 )) (( segid " 1SG" and resid 96 and name HG1 )) ASSI { 913} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.400 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36305E-02 ppm1 0.866 ppm2 1.440 CV 1 ASSI { 924} (( segid " 1SG" and resid 47 and name HA )) ( segid " 1SG" and resid 47 and name HG1%) 2.600 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.35663E-02 ppm1 4.069 ppm2 0.995 CV 1 ASSI { 931} (( segid " 1SG" and resid 65 and name HB1 )) (( segid " 1SG" and resid 65 and name HA )) 2.500 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.35523E-02 ppm1 1.768 ppm2 3.458 CV 1 OR { 931} (( segid " 1SG" and resid 65 and name HB2 )) (( segid " 1SG" and resid 65 and name HA )) ASSI { 932} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 71 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.35522E-02 ppm1 0.861 ppm2 5.068 CV 1 ASSI { 934} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HB )) 2.500 0.800 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.35460E-02 ppm1 -0.065 ppm2 0.591 CV 1 ASSI { 935} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 49 and name HA )) 2.400 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.35428E-02 ppm1 0.803 ppm2 3.862 CV 1 ASSI { 937} (( segid " 1SG" and resid 86 and name HA1 )) (( segid " 1SG" and resid 86 and name HA2 )) 2.100 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.35117E-02 ppm1 3.487 ppm2 4.665 CV 1 ASSI { 940} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 78 and name HA )) 3.200 3.200 2.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.34987E-02 ppm1 1.079 ppm2 4.117 CV 1 ASSI { 944} (( segid " 1SG" and resid 51 and name HA )) (( segid " 1SG" and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.34642E-02 ppm1 4.566 ppm2 4.025 CV 1 ASSI { 947} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG1%) 2.500 0.800 0.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.34435E-02 ppm1 1.819 ppm2 0.980 CV 1 ASSI { 949} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 16 and name HG2%) 2.500 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.34366E-02 ppm1 1.824 ppm2 0.622 CV 1 ASSI { 952} (( segid " 1SG" and resid 95 and name HA )) (( segid " 1SG" and resid 95 and name HB2 )) 2.600 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.34329E-02 ppm1 4.737 ppm2 2.633 CV 1 ASSI { 953} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 77 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.34302E-02 ppm1 4.029 ppm2 4.666 CV 1 ASSI { 955} (( segid " 1SG" and resid 53 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.400 0.700 0.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34250E-02 ppm1 4.054 ppm2 1.080 CV 1 ASSI { 963} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 49 and name HD2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.33808E-02 ppm1 0.410 ppm2 1.032 CV 1 OR { 963} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 49 and name HD2%) ASSI { 965} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 4 and name HB )) 2.200 2.200 3.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.33758E-02 ppm1 3.857 ppm2 2.022 CV 1 OR { 965} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 4 and name HB )) ASSI { 966} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 72 and name HA )) 2.300 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.33700E-02 ppm1 5.559 ppm2 5.379 CV 1 ASSI { 969} ( segid " 1SG" and resid 47 and name HG2%) (( segid " 1SG" and resid 47 and name HA )) 2.600 0.800 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.33567E-02 ppm1 0.793 ppm2 4.074 CV 1 ASSI { 972} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 106 and name HA )) 2.600 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33342E-02 ppm1 0.694 ppm2 4.732 CV 1 ASSI { 977} ( segid " 1SG" and resid 106 and name HG2%) ( segid " 1SG" and resid 16 and name HG2%) 2.200 0.600 0.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 0.389 ppm2 0.626 CV 1 ASSI { 978} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HA )) 2.600 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33174E-02 ppm1 0.981 ppm2 5.437 CV 1 ASSI { 984} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.32799E-02 ppm1 0.549 ppm2 1.243 CV 1 OR { 984} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) ASSI { 986} ( segid " 1SG" and resid 74 and name HD2%) (( segid " 1SG" and resid 74 and name HG )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.32699E-02 ppm1 0.409 ppm2 1.098 CV 1 OR { 986} ( segid " 1SG" and resid 74 and name HD1%) (( segid " 1SG" and resid 74 and name HG )) ASSI { 990} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HA )) 2.500 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.32654E-02 ppm1 0.965 ppm2 4.151 CV 1 ASSI { 991} (( segid " 1SG" and resid 55 and name HB2 )) (( segid " 1SG" and resid 55 and name HA )) 2.600 0.800 0.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 1.787 ppm2 4.002 CV 1 ASSI { 992} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.32600E-02 ppm1 4.730 ppm2 0.388 CV 1 ASSI { 993} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 96 and name HB2 )) 2.500 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.32516E-02 ppm1 0.918 ppm2 1.588 CV 1 ASSI { 1004} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.31950E-02 ppm1 4.459 ppm2 1.732 CV 1 ASSI { 1008} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HA )) 2.200 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.31859E-02 ppm1 4.665 ppm2 5.519 CV 1 ASSI { 1009} (( segid " 1SG" and resid 84 and name HA )) ( segid " 1SG" and resid 84 and name HG2%) 2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.31821E-02 ppm1 4.230 ppm2 1.496 CV 1 ASSI { 1019} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 36 and name HD2 )) 2.600 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31451E-02 ppm1 4.673 ppm2 3.509 CV 1 ASSI { 1021} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HG12)) 2.500 0.800 0.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.31390E-02 ppm1 0.548 ppm2 0.108 CV 1 OR { 1021} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) ASSI { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) 2.600 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.31339E-02 ppm1 4.150 ppm2 0.966 CV 1 OR { 1023} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) ASSI { 1031} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HB )) 2.400 0.700 0.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.31107E-02 ppm1 0.825 ppm2 1.940 CV 1 ASSI { 1035} (( segid " 1SG" and resid 6 and name HB2 )) (( segid " 1SG" and resid 6 and name HG )) 2.600 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.30823E-02 ppm1 0.962 ppm2 1.328 CV 1 ASSI { 1047} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 16 and name HA )) 2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.30438E-02 ppm1 1.820 ppm2 4.604 CV 1 ASSI { 1055} (( segid " 1SG" and resid 71 and name HB2 )) (( segid " 1SG" and resid 69 and name HB )) 2.300 2.300 3.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.30205E-02 ppm1 1.264 ppm2 1.770 CV 1 ASSI { 1057} ( segid " 1SG" and resid 79 and name HB% ) ( segid " 1SG" and resid 106 and name HG2%) 2.600 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30169E-02 ppm1 1.196 ppm2 0.392 CV 1 ASSI { 1077} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 29 and name HA )) 2.700 0.900 0.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.29281E-02 ppm1 0.863 ppm2 4.391 CV 1 OR { 1077} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 29 and name HA )) ASSI { 1080} (( segid " 1SG" and resid 58 and name HB2 )) (( segid " 1SG" and resid 58 and name HG2 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.29031E-02 ppm1 2.406 ppm2 1.814 CV 1 OR { 1080} (( segid " 1SG" and resid 58 and name HB1 )) (( segid " 1SG" and resid 58 and name HG2 )) ASSI { 1081} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.29014E-02 ppm1 1.938 ppm2 0.610 CV 1 ASSI { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) 2.800 1.000 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.28975E-02 ppm1 0.751 ppm2 0.415 CV 1 OR { 1082} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1083} (( segid " 1SG" and resid 22 and name HG12)) (( segid " 1SG" and resid 104 and name HB2 )) 2.300 0.700 0.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.28967E-02 ppm1 0.106 ppm2 1.251 CV 1 ASSI { 1088} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 39 and name HA )) 2.600 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.28930E-02 ppm1 -0.447 ppm2 4.803 CV 1 ASSI { 1089} (( segid " 1SG" and resid 77 and name HA )) ( segid " 1SG" and resid 77 and name HG2%) 2.500 0.800 0.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.28893E-02 ppm1 4.662 ppm2 1.045 CV 1 ASSI { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.600 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.28696E-02 ppm1 3.510 ppm2 0.968 CV 1 OR { 1092} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 18 and name HG2%) ASSI { 1095} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.600 0.800 0.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28611E-02 ppm1 2.524 ppm2 1.911 CV 1 ASSI { 1097} (( segid " 1SG" and resid 18 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.500 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.28521E-02 ppm1 3.516 ppm2 0.390 CV 1 ASSI { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG1%) 2.600 0.900 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.28272E-02 ppm1 0.830 ppm2 0.179 CV 1 OR { 1101} ( segid " 1SG" and resid 28 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG2 )) 2.500 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.28233E-02 ppm1 3.131 ppm2 1.704 CV 1 OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 27 and name HG1 )) OR { 1102} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 27 and name HG2 )) ASSI { 1105} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 2.600 0.900 0.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.28022E-02 ppm1 0.652 ppm2 4.910 CV 1 ASSI { 1109} (( segid " 1SG" and resid 3 and name HB2 )) (( segid " 1SG" and resid 3 and name HA )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27940E-02 ppm1 2.293 ppm2 4.452 CV 1 OR { 1109} (( segid " 1SG" and resid 3 and name HB1 )) (( segid " 1SG" and resid 3 and name HA )) ASSI { 1113} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 27 and name HB1 )) 2.900 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.27890E-02 ppm1 0.856 ppm2 1.581 CV 1 OR { 1113} ( segid " 1SG" and resid 71 and name HD1%) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1115} (( segid " 1SG" and resid 52 and name HD2 )) (( segid " 1SG" and resid 52 and name HA )) 3.000 1.100 1.100 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.27877E-02 ppm1 1.579 ppm2 4.625 CV 1 OR { 1115} (( segid " 1SG" and resid 52 and name HD1 )) (( segid " 1SG" and resid 52 and name HA )) ASSI { 1120} (( segid " 1SG" and resid 21 and name HB2 )) (( segid " 1SG" and resid 21 and name HA )) 2.500 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.27660E-02 ppm1 3.759 ppm2 5.523 CV 1 ASSI { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB1 )) 2.600 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.27394E-02 ppm1 4.805 ppm2 3.085 CV 1 OR { 1127} (( segid " 1SG" and resid 107 and name HA )) (( segid " 1SG" and resid 107 and name HB2 )) ASSI { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG1 )) 2.600 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 4.790 ppm2 1.336 CV 1 OR { 1129} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HG2 )) ASSI { 1131} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 3.100 1.200 1.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.27324E-02 ppm1 4.623 ppm2 2.692 CV 1 ASSI { 1135} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 74 and name HA )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27196E-02 ppm1 0.717 ppm2 4.346 CV 1 ASSI { 1145} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HG2 )) 2.700 0.900 0.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.26944E-02 ppm1 0.973 ppm2 2.203 CV 1 OR { 1145} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 108 and name HG1 )) ASSI { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD1 )) 2.500 2.500 3.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 0.852 ppm2 3.126 CV 1 OR { 1152} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HD2 )) ASSI { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) 2.600 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.26721E-02 ppm1 0.714 ppm2 1.697 CV 1 OR { 1156} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) ASSI { 1161} (( segid " 1SG" and resid 59 and name HB1 )) ( segid " 1SG" and resid 59 and name HD1%) 2.600 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.26484E-02 ppm1 1.712 ppm2 0.868 CV 1 OR { 1161} (( segid " 1SG" and resid 59 and name HB2 )) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1176} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.700 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.25942E-02 ppm1 0.914 ppm2 0.491 CV 1 ASSI { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 3.497 ppm2 0.609 CV 1 OR { 1183} (( segid " 1SG" and resid 45 and name HA )) (( segid " 1SG" and resid 45 and name HG2 )) ASSI { 1189} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HB2 )) 2.600 0.800 0.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.25666E-02 ppm1 4.042 ppm2 1.799 CV 1 ASSI { 1191} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 59 and name HG )) 2.300 2.300 3.700 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25626E-02 ppm1 0.677 ppm2 1.411 CV 1 ASSI { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD1 )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.25586E-02 ppm1 2.518 ppm2 1.326 CV 1 OR { 1193} (( segid " 1SG" and resid 43 and name HE2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE1 )) 3.000 3.000 3.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 2.692 ppm2 2.944 CV 1 OR { 1202} (( segid " 1SG" and resid 2 and name HB2 )) (( segid " 1SG" and resid 96 and name HE2 )) ASSI { 1203} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 106 and name HB )) 2.800 1.000 1.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.25015E-02 ppm1 4.003 ppm2 1.861 CV 1 ASSI { 1205} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.24963E-02 ppm1 0.652 ppm2 1.978 CV 1 ASSI { 1215} (( segid " 1SG" and resid 25 and name HB2 )) ( segid " 1SG" and resid 71 and name HD1%) 2.600 0.800 0.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24581E-02 ppm1 3.603 ppm2 0.862 CV 1 ASSI { 1219} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.24486E-02 ppm1 0.612 ppm2 1.535 CV 1 ASSI { 1220} ( segid " 1SG" and resid 28 and name HG1%) (( segid " 1SG" and resid 28 and name HB )) 2.600 0.900 0.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.24405E-02 ppm1 0.816 ppm2 1.976 CV 1 ASSI { 1223} (( segid " 1SG" and resid 53 and name HB )) (( segid " 1SG" and resid 53 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 2.132 ppm2 4.051 CV 1 ASSI { 1230} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 3.200 2.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.24150E-02 ppm1 5.567 ppm2 2.787 CV 1 ASSI { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB1 )) 2.500 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.23991E-02 ppm1 5.198 ppm2 1.702 CV 1 OR { 1236} (( segid " 1SG" and resid 59 and name HA )) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1239} (( segid " 1SG" and resid 64 and name HA )) (( segid " 1SG" and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.23947E-02 ppm1 4.580 ppm2 2.354 CV 1 ASSI { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD2 )) 2.600 0.900 0.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.23824E-02 ppm1 2.788 ppm2 1.574 CV 1 OR { 1244} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HD1 )) ASSI { 1246} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 104 and name HB2 )) 2.600 0.900 0.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 0.976 ppm2 1.219 CV 1 ASSI { 1251} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 81 and name HD2 )) 2.900 1.000 1.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.23648E-02 ppm1 4.639 ppm2 3.592 CV 1 ASSI { 1254} (( segid " 1SG" and resid 57 and name HA )) (( segid " 1SG" and resid 76 and name HA )) 2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.23587E-02 ppm1 5.425 ppm2 5.012 CV 1 ASSI { 1259} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HB )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 4.352 ppm2 1.534 CV 1 ASSI { 1267} (( segid " 1SG" and resid 59 and name HG )) (( segid " 1SG" and resid 57 and name HG )) 3.000 3.000 3.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.23278E-02 ppm1 1.460 ppm2 0.749 CV 1 ASSI { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB2 )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 4.626 ppm2 2.405 CV 1 OR { 1272} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HB1 )) ASSI { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG2 )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 3.458 ppm2 1.692 CV 1 OR { 1274} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD2 )) 2.600 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 0.802 ppm2 1.337 CV 1 OR { 1281} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HD1 )) ASSI { 1282} (( segid " 1SG" and resid 78 and name HA )) (( segid " 1SG" and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.22906E-02 ppm1 4.117 ppm2 2.383 CV 1 ASSI { 1286} ( segid " 1SG" and resid 8 and name HG2%) ( segid " 1SG" and resid 6 and name HD2%) 2.900 2.900 3.100 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 0.928 ppm2 0.476 CV 1 ASSI { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE1 )) 2.900 2.900 3.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.22705E-02 ppm1 4.809 ppm2 3.001 CV 1 OR { 1288} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 94 and name HE2 )) ASSI { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG1 )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22559E-02 ppm1 2.788 ppm2 1.344 CV 1 OR { 1297} (( segid " 1SG" and resid 52 and name HE2 )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1298} (( segid " 1SG" and resid 49 and name HG )) (( segid " 1SG" and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 0.801 ppm2 1.228 CV 1 ASSI { 1302} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HG12)) 2.600 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22458E-02 ppm1 0.611 ppm2 0.097 CV 1 ASSI { 1303} (( segid " 1SG" and resid 94 and name HG1 )) (( segid " 1SG" and resid 94 and name HA )) 3.000 1.100 1.100 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22455E-02 ppm1 1.416 ppm2 4.044 CV 1 OR { 1303} (( segid " 1SG" and resid 94 and name HG2 )) (( segid " 1SG" and resid 94 and name HA )) ASSI { 1309} (( segid " 1SG" and resid 96 and name HA )) (( segid " 1SG" and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.22389E-02 ppm1 4.786 ppm2 1.579 CV 1 ASSI { 1319} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HA )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.22185E-02 ppm1 0.823 ppm2 5.012 CV 1 ASSI { 1323} (( segid " 1SG" and resid 9 and name HG2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.22109E-02 ppm1 2.535 ppm2 4.651 CV 1 ASSI { 1333} (( segid " 1SG" and resid 3 and name HA )) (( segid " 1SG" and resid 4 and name HB )) 3.400 1.500 1.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21844E-02 ppm1 4.450 ppm2 2.008 CV 1 ASSI { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB1 )) 2.600 0.800 0.800 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.21754E-02 ppm1 5.836 ppm2 1.599 CV 1 OR { 1335} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 27 and name HB2 )) ASSI { 1338} (( segid " 1SG" and resid 19 and name HA1 )) (( segid " 1SG" and resid 78 and name HA )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21694E-02 ppm1 4.274 ppm2 4.121 CV 1 OR { 1338} (( segid " 1SG" and resid 19 and name HA2 )) (( segid " 1SG" and resid 78 and name HA )) ASSI { 1346} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21573E-02 ppm1 0.868 ppm2 3.737 CV 1 OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB2 )) OR { 1346} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 67 and name HB1 )) ASSI { 1351} (( segid " 1SG" and resid 59 and name HB1 )) (( segid " 1SG" and resid 59 and name HG )) 2.600 0.900 0.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21459E-02 ppm1 1.699 ppm2 1.439 CV 1 OR { 1351} (( segid " 1SG" and resid 59 and name HB2 )) (( segid " 1SG" and resid 59 and name HG )) ASSI { 1356} ( segid " 1SG" and resid 91 and name HG1%) ( segid " 1SG" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.21303E-02 ppm1 0.170 ppm2 -0.067 CV 1 OR { 1356} ( segid " 1SG" and resid 91 and name HG2%) ( segid " 1SG" and resid 39 and name HG1%) ASSI { 1360} (( segid " 1SG" and resid 23 and name HA )) ( segid " 1SG" and resid 23 and name HG2%) 2.700 0.900 0.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.21241E-02 ppm1 5.129 ppm2 0.782 CV 1 ASSI { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG2 )) 2.800 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.21165E-02 ppm1 0.938 ppm2 1.372 CV 1 OR { 1365} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 35 and name HG1 )) ASSI { 1367} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HB )) 2.600 0.900 0.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 0.558 ppm2 1.537 CV 1 OR { 1367} ( segid " 1SG" and resid 22 and name HD1%) (( segid " 1SG" and resid 22 and name HB )) ASSI { 1368} ( segid " 1SG" and resid 106 and name HG2%) (( segid " 1SG" and resid 81 and name HA )) 2.700 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.21114E-02 ppm1 0.389 ppm2 4.015 CV 1 ASSI { 1375} ( segid " 1SG" and resid 4 and name HG2%) ( segid " 1SG" and resid 6 and name HD1%) 2.700 0.900 0.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 0.911 ppm2 0.677 CV 1 ASSI { 1377} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 4 and name HG12)) 2.600 0.800 0.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.20884E-02 ppm1 0.918 ppm2 1.237 CV 1 ASSI { 1378} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HA )) 2.700 0.900 0.900 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.20874E-02 ppm1 1.279 ppm2 3.604 CV 1 OR { 1378} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HA )) ASSI { 1381} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.20848E-02 ppm1 0.839 ppm2 1.251 CV 1 ASSI { 1382} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 49 and name HD1%) 2.700 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.20811E-02 ppm1 1.033 ppm2 1.768 CV 1 ASSI { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD1 )) 2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.20650E-02 ppm1 2.582 ppm2 1.239 CV 1 OR { 1390} (( segid " 1SG" and resid 45 and name HE2 )) (( segid " 1SG" and resid 45 and name HD2 )) ASSI { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG2%) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 0.673 ppm2 0.183 CV 1 OR { 1393} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 2.700 0.900 0.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.20444E-02 ppm1 4.175 ppm2 1.683 CV 1 OR { 1399} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 1400} (( segid " 1SG" and resid 91 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.20423E-02 ppm1 4.748 ppm2 0.161 CV 1 ASSI { 1402} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.20384E-02 ppm1 1.273 ppm2 1.772 CV 1 OR { 1402} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HB2 )) ASSI { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.20349E-02 ppm1 4.505 ppm2 1.382 CV 1 OR { 1404} (( segid " 1SG" and resid 37 and name HA )) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 1406} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 58 and name HA )) 2.900 1.000 1.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.20301E-02 ppm1 1.121 ppm2 4.624 CV 1 ASSI { 1408} (( segid " 1SG" and resid 28 and name HA )) ( segid " 1SG" and resid 28 and name HG1%) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20253E-02 ppm1 4.915 ppm2 0.817 CV 1 ASSI { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.19977E-02 ppm1 5.087 ppm2 2.897 CV 1 OR { 1420} (( segid " 1SG" and resid 75 and name HA )) (( segid " 1SG" and resid 75 and name HB2 )) ASSI { 1426} (( segid " 1SG" and resid 2 and name HA )) (( segid " 1SG" and resid 2 and name HB2 )) 2.700 0.900 0.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 4.912 ppm2 2.661 CV 1 ASSI { 1433} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HA )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19852E-02 ppm1 3.901 ppm2 5.501 CV 1 ASSI { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG2 )) 2.900 1.000 1.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.19834E-02 ppm1 4.685 ppm2 2.479 CV 1 OR { 1435} (( segid " 1SG" and resid 12 and name HA )) (( segid " 1SG" and resid 12 and name HG1 )) ASSI { 1437} (( segid " 1SG" and resid 61 and name HA )) (( segid " 1SG" and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 5.569 ppm2 2.306 CV 1 ASSI { 1441} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HE2 )) 2.800 1.000 1.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.19762E-02 ppm1 1.275 ppm2 3.028 CV 1 OR { 1441} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HE2 )) OR { 1441} (( segid " 1SG" and resid 68 and name HG1 )) (( segid " 1SG" and resid 68 and name HE1 )) OR { 1441} (( segid " 1SG" and resid 68 and name HG2 )) (( segid " 1SG" and resid 68 and name HE1 )) ASSI { 1451} ( segid " 1SG" and resid 22 and name HG2%) ( segid " 1SG" and resid 74 and name HD1%) 3.200 3.200 2.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 0.549 ppm2 0.431 CV 1 OR { 1451} ( segid " 1SG" and resid 22 and name HD1%) ( segid " 1SG" and resid 74 and name HD1%) OR { 1451} ( segid " 1SG" and resid 22 and name HD1%) ( segid " 1SG" and resid 74 and name HD2%) OR { 1451} ( segid " 1SG" and resid 22 and name HG2%) ( segid " 1SG" and resid 74 and name HD2%) ASSI { 1453} (( segid " 1SG" and resid 4 and name HA )) ( segid " 1SG" and resid 4 and name HD1%) 3.100 1.200 1.200 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.19563E-02 ppm1 4.030 ppm2 0.969 CV 1 ASSI { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD2 )) 3.200 3.200 2.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 4.631 ppm2 3.112 CV 1 OR { 1456} (( segid " 1SG" and resid 9 and name HA )) (( segid " 1SG" and resid 27 and name HD1 )) ASSI { 1457} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD2%) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 0.752 ppm2 1.025 CV 1 ASSI { 1459} (( segid " 1SG" and resid 57 and name HB2 )) (( segid " 1SG" and resid 57 and name HA )) 2.400 0.700 0.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.19428E-02 ppm1 1.475 ppm2 5.430 CV 1 ASSI { 1461} (( segid " 1SG" and resid 12 and name HB2 )) (( segid " 1SG" and resid 12 and name HA )) 2.800 1.000 1.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.19381E-02 ppm1 1.970 ppm2 4.684 CV 1 ASSI { 1471} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 76 and name HG12)) 2.600 0.900 0.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 0.820 ppm2 1.098 CV 1 ASSI { 1476} ( segid " 1SG" and resid 6 and name HD1%) (( segid " 1SG" and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.19238E-02 ppm1 0.670 ppm2 1.532 CV 1 ASSI { 1481} (( segid " 1SG" and resid 40 and name HA )) (( segid " 1SG" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.19127E-02 ppm1 4.549 ppm2 1.359 CV 1 ASSI { 1486} (( segid " 1SG" and resid 14 and name HA1 )) ( segid " 1SG" and resid 22 and name HD1%) 2.600 0.900 0.900 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.19068E-02 ppm1 3.757 ppm2 0.548 CV 1 ASSI { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD2%) 2.900 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.18890E-02 ppm1 -0.825 ppm2 0.419 CV 1 OR { 1494} (( segid " 1SG" and resid 74 and name HB2 )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 1497} (( segid " 1SG" and resid 71 and name HB2 )) ( segid " 1SG" and resid 71 and name HD2%) 2.800 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.18857E-02 ppm1 1.272 ppm2 0.752 CV 1 ASSI { 1498} ( segid " 1SG" and resid 57 and name HD2%) (( segid " 1SG" and resid 53 and name HA )) 2.800 0.900 0.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.18844E-02 ppm1 0.616 ppm2 4.056 CV 1 OR { 1498} ( segid " 1SG" and resid 57 and name HD1%) (( segid " 1SG" and resid 53 and name HA )) ASSI { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG2 )) 2.800 0.900 0.900 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.18766E-02 ppm1 3.909 ppm2 2.266 CV 1 OR { 1504} (( segid " 1SG" and resid 105 and name HB )) (( segid " 1SG" and resid 15 and name HG1 )) ASSI { 1508} (( segid " 1SG" and resid 76 and name HB )) ( segid " 1SG" and resid 76 and name HD1%) 2.700 0.900 0.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.18665E-02 ppm1 1.941 ppm2 0.670 CV 1 ASSI { 1515} (( segid " 1SG" and resid 18 and name HA )) (( segid " 1SG" and resid 18 and name HB )) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.18579E-02 ppm1 3.515 ppm2 1.933 CV 1 ASSI { 1516} (( segid " 1SG" and resid 36 and name HB2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.18558E-02 ppm1 1.634 ppm2 1.985 CV 1 ASSI { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD2%) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 1.446 ppm2 0.612 CV 1 OR { 1523} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 57 and name HD1%) ASSI { 1527} ( segid " 1SG" and resid 6 and name HD1%) ( segid " 1SG" and resid 28 and name HG1%) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 0.670 ppm2 0.820 CV 1 ASSI { 1529} (( segid " 1SG" and resid 25 and name HA )) (( segid " 1SG" and resid 73 and name HA )) 2.500 0.800 0.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18357E-02 ppm1 5.692 ppm2 5.470 CV 1 ASSI { 1530} ( segid " 1SG" and resid 16 and name HG2%) (( segid " 1SG" and resid 16 and name HA )) 2.900 1.100 1.100 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.18306E-02 ppm1 0.629 ppm2 4.602 CV 1 ASSI { 1539} (( segid " 1SG" and resid 106 and name HA )) ( segid " 1SG" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.18231E-02 ppm1 4.721 ppm2 0.624 CV 1 ASSI { 1541} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 53 and name HB )) 3.000 3.000 3.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.18201E-02 ppm1 4.618 ppm2 2.165 CV 1 ASSI { 1545} (( segid " 1SG" and resid 14 and name HA2 )) ( segid " 1SG" and resid 22 and name HD1%) 3.200 1.300 1.300 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 4.934 ppm2 0.546 CV 1 ASSI { 1547} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 81 and name HD2 )) 3.300 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.18009E-02 ppm1 0.966 ppm2 3.590 CV 1 ASSI { 1572} ( segid " 1SG" and resid 79 and name HB% ) (( segid " 1SG" and resid 18 and name HA )) 2.900 1.000 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.17695E-02 ppm1 1.195 ppm2 3.508 CV 1 ASSI { 1587} ( segid " 1SG" and resid 39 and name HG1%) (( segid " 1SG" and resid 39 and name HA )) 2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 -0.057 ppm2 4.810 CV 1 ASSI { 1588} (( segid " 1SG" and resid 46 and name HA )) (( segid " 1SG" and resid 45 and name HA )) 2.900 2.900 3.100 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 4.981 ppm2 3.520 CV 1 ASSI { 1589} ( segid " 1SG" and resid 6 and name HD2%) ( segid " 1SG" and resid 93 and name HG2%) 2.800 1.000 1.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 0.491 ppm2 1.039 CV 1 ASSI { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.900 2.900 3.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.17297E-02 ppm1 1.705 ppm2 1.711 CV 1 OR { 1605} (( segid " 1SG" and resid 88 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 1613} (( segid " 1SG" and resid 6 and name HA )) (( segid " 1SG" and resid 6 and name HG )) 2.900 1.000 1.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 4.455 ppm2 1.332 CV 1 ASSI { 1614} (( segid " 1SG" and resid 58 and name HA )) ( segid " 1SG" and resid 53 and name HG2%) 2.900 2.900 3.100 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.17163E-02 ppm1 4.624 ppm2 1.078 CV 1 ASSI { 1616} (( segid " 1SG" and resid 108 and name HG2 )) (( segid " 1SG" and resid 108 and name HA )) 2.900 1.000 1.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17125E-02 ppm1 2.201 ppm2 4.149 CV 1 OR { 1616} (( segid " 1SG" and resid 108 and name HG1 )) (( segid " 1SG" and resid 108 and name HA )) ASSI { 1622} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HA )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17089E-02 ppm1 0.599 ppm2 3.499 CV 1 ASSI { 1624} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.17071E-02 ppm1 3.604 ppm2 1.772 CV 1 ASSI { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HG2%) 3.100 1.200 1.200 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 1.820 ppm2 0.552 CV 1 OR { 1631} (( segid " 1SG" and resid 16 and name HB )) ( segid " 1SG" and resid 22 and name HD1%) ASSI { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.16809E-02 ppm1 1.813 ppm2 1.600 CV 1 OR { 1636} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 27 and name HB1 )) ASSI { 1638} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 18 and name HG1%) 2.900 2.900 3.100 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16754E-02 ppm1 4.155 ppm2 1.005 CV 1 ASSI { 1653} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 96 and name HB2 )) 3.000 1.100 1.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16547E-02 ppm1 2.052 ppm2 1.589 CV 1 ASSI { 1655} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HD1%) 3.300 1.400 1.400 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.16522E-02 ppm1 0.793 ppm2 0.557 CV 1 OR { 1655} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HG2%) ASSI { 1671} (( segid " 1SG" and resid 60 and name HB2 )) (( segid " 1SG" and resid 60 and name HA )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.16308E-02 ppm1 2.975 ppm2 5.071 CV 1 ASSI { 1672} (( segid " 1SG" and resid 43 and name HD2 )) ( segid " 1SG" and resid 49 and name HD1%) 3.000 1.100 1.100 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.16299E-02 ppm1 1.322 ppm2 1.761 CV 1 OR { 1672} (( segid " 1SG" and resid 43 and name HD1 )) ( segid " 1SG" and resid 49 and name HD1%) ASSI { 1676} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 37 and name HD2 )) 2.600 0.900 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 4.005 ppm2 2.360 CV 1 ASSI { 1699} (( segid " 1SG" and resid 43 and name HD2 )) (( segid " 1SG" and resid 57 and name HB2 )) 2.900 2.900 3.100 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.15973E-02 ppm1 1.308 ppm2 1.492 CV 1 OR { 1699} (( segid " 1SG" and resid 43 and name HD1 )) (( segid " 1SG" and resid 57 and name HB2 )) ASSI { 1700} (( segid " 1SG" and resid 35 and name HG2 )) (( segid " 1SG" and resid 35 and name HA )) 3.300 1.400 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.15961E-02 ppm1 1.361 ppm2 4.667 CV 1 OR { 1700} (( segid " 1SG" and resid 35 and name HG1 )) (( segid " 1SG" and resid 35 and name HA )) ASSI { 1703} (( segid " 1SG" and resid 25 and name HB2 )) (( segid " 1SG" and resid 25 and name HA )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 3.602 ppm2 5.692 CV 1 ASSI { 1707} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 84 and name HA )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 4.518 ppm2 4.230 CV 1 ASSI { 1711} (( segid " 1SG" and resid 33 and name HB2 )) ( segid " 1SG" and resid 33 and name HD2%) 2.900 1.000 1.000 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 1.743 ppm2 0.875 CV 1 OR { 1711} (( segid " 1SG" and resid 33 and name HB2 )) ( segid " 1SG" and resid 33 and name HD1%) OR { 1711} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 33 and name HG )) ASSI { 1720} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.15804E-02 ppm1 4.007 ppm2 1.642 CV 1 ASSI { 1726} (( segid " 1SG" and resid 88 and name HA )) (( segid " 1SG" and resid 100 and name HB2 )) 3.400 3.400 2.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.15728E-02 ppm1 5.349 ppm2 2.953 CV 1 ASSI { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB1 )) 2.800 1.000 1.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 1.042 ppm2 1.718 CV 1 OR { 1730} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 59 and name HB2 )) ASSI { 1744} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 54 and name HA2 )) 3.100 3.100 2.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.15557E-02 ppm1 4.623 ppm2 4.318 CV 1 ASSI { 1752} ( segid " 1SG" and resid 74 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) 2.800 1.000 1.000 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.15380E-02 ppm1 0.412 ppm2 0.852 CV 1 OR { 1752} ( segid " 1SG" and resid 74 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1759} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 4.673 ppm2 1.796 CV 1 OR { 1759} (( segid " 1SG" and resid 35 and name HA )) (( segid " 1SG" and resid 35 and name HB1 )) ASSI { 1760} (( segid " 1SG" and resid 49 and name HB2 )) ( segid " 1SG" and resid 49 and name HD1%) 2.700 0.900 0.900 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 1.571 ppm2 1.728 CV 1 ASSI { 1764} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 79 and name HA )) 2.900 2.900 3.100 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 0.825 ppm2 3.685 CV 1 ASSI { 1771} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 36 and name HG2 )) 2.600 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 3.510 ppm2 1.963 CV 1 ASSI { 1789} (( segid " 1SG" and resid 9 and name HB2 )) (( segid " 1SG" and resid 9 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.15059E-02 ppm1 1.915 ppm2 4.655 CV 1 ASSI { 1791} (( segid " 1SG" and resid 8 and name HB )) (( segid " 1SG" and resid 8 and name HA )) 3.000 1.100 1.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15037E-02 ppm1 1.840 ppm2 4.168 CV 1 ASSI { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG2%) 3.000 1.100 1.100 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.14953E-02 ppm1 1.042 ppm2 0.183 CV 1 OR { 1799} ( segid " 1SG" and resid 93 and name HG2%) ( segid " 1SG" and resid 91 and name HG1%) ASSI { 1800} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HE21)) 3.400 3.400 2.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.14945E-02 ppm1 0.979 ppm2 6.971 CV 1 ASSI { 1802} (( segid " 1SG" and resid 72 and name HB2 )) (( segid " 1SG" and resid 72 and name HA )) 3.000 1.100 1.100 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 2.934 ppm2 5.351 CV 1 ASSI { 1809} (( segid " 1SG" and resid 24 and name HA )) (( segid " 1SG" and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 4.619 ppm2 2.415 CV 1 ASSI { 1811} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 50 and name HA )) 2.900 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.14805E-02 ppm1 0.869 ppm2 3.945 CV 1 ASSI { 1812} (( segid " 1SG" and resid 103 and name HB2 )) (( segid " 1SG" and resid 103 and name HA )) 3.000 1.100 1.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.14805E-02 ppm1 2.506 ppm2 5.551 CV 1 ASSI { 1815} (( segid " 1SG" and resid 105 and name HA )) (( segid " 1SG" and resid 105 and name HB )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.14788E-02 ppm1 4.515 ppm2 3.913 CV 1 ASSI { 1823} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 104 and name HB2 )) 2.900 1.100 1.100 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 0.619 ppm2 1.254 CV 1 ASSI { 1827} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 52 and name HG1 )) 2.900 1.100 1.100 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 4.627 ppm2 1.339 CV 1 OR { 1827} (( segid " 1SG" and resid 52 and name HA )) (( segid " 1SG" and resid 52 and name HG2 )) ASSI { 1830} (( segid " 1SG" and resid 29 and name HA )) ( segid " 1SG" and resid 8 and name HG2%) 3.000 1.100 1.100 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.14640E-02 ppm1 4.395 ppm2 0.954 CV 1 ASSI { 1831} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14635E-02 ppm1 1.030 ppm2 1.580 CV 1 ASSI { 1841} (( segid " 1SG" and resid 52 and name HB2 )) (( segid " 1SG" and resid 52 and name HA )) 2.800 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 1.738 ppm2 4.629 CV 1 ASSI { 1843} (( segid " 1SG" and resid 58 and name HA )) (( segid " 1SG" and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.14514E-02 ppm1 4.621 ppm2 1.817 CV 1 ASSI { 1852} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 29 and name HA )) 2.900 1.100 1.100 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 4.592 ppm2 4.392 CV 1 ASSI { 1875} (( segid " 1SG" and resid 22 and name HB )) (( segid " 1SG" and resid 104 and name HB2 )) 3.100 3.100 2.900 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.541 ppm2 1.250 CV 1 ASSI { 1880} (( segid " 1SG" and resid 56 and name HA )) (( segid " 1SG" and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14101E-02 ppm1 4.971 ppm2 3.108 CV 1 ASSI { 1884} (( segid " 1SG" and resid 52 and name HG2 )) (( segid " 1SG" and resid 53 and name HB )) 3.400 3.400 2.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14085E-02 ppm1 1.340 ppm2 2.157 CV 1 OR { 1884} (( segid " 1SG" and resid 52 and name HG1 )) (( segid " 1SG" and resid 53 and name HB )) ASSI { 1887} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HA )) 2.900 1.000 1.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.14078E-02 ppm1 2.054 ppm2 4.033 CV 1 ASSI { 1888} (( segid " 1SG" and resid 37 and name HB2 )) (( segid " 1SG" and resid 37 and name HA )) 3.100 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.14071E-02 ppm1 1.383 ppm2 4.501 CV 1 ASSI { 1889} (( segid " 1SG" and resid 91 and name HA )) (( segid " 1SG" and resid 91 and name HB )) 2.800 1.000 1.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 4.743 ppm2 1.134 CV 1 ASSI { 1894} ( segid " 1SG" and resid 8 and name HG2%) (( segid " 1SG" and resid 28 and name HA )) 3.200 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.14030E-02 ppm1 0.958 ppm2 4.912 CV 1 OR { 1894} ( segid " 1SG" and resid 8 and name HG1%) (( segid " 1SG" and resid 28 and name HA )) ASSI { 1902} (( segid " 1SG" and resid 27 and name HA )) (( segid " 1SG" and resid 71 and name HA )) 2.600 0.900 0.900 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 5.835 ppm2 5.076 CV 1 ASSI { 1907} (( segid " 1SG" and resid 4 and name HB )) (( segid " 1SG" and resid 4 and name HG12)) 2.900 1.000 1.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 2.046 ppm2 1.247 CV 1 ASSI { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD2 )) 2.800 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.13865E-02 ppm1 0.596 ppm2 1.238 CV 1 OR { 1908} (( segid " 1SG" and resid 45 and name HG2 )) (( segid " 1SG" and resid 45 and name HD1 )) ASSI { 1919} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 80 and name HG2 )) 3.300 1.300 1.300 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.13753E-02 ppm1 4.639 ppm2 2.129 CV 1 OR { 1919} (( segid " 1SG" and resid 80 and name HA )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 1932} ( segid " 1SG" and resid 57 and name HD2%) ( segid " 1SG" and resid 59 and name HD1%) 3.400 1.400 1.400 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.13612E-02 ppm1 0.616 ppm2 0.865 CV 1 OR { 1932} ( segid " 1SG" and resid 57 and name HD1%) ( segid " 1SG" and resid 59 and name HD1%) ASSI { 1936} ( segid " 1SG" and resid 39 and name HG2%) ( segid " 1SG" and resid 28 and name HG2%) 3.000 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 -0.444 ppm2 0.644 CV 1 ASSI { 1956} (( segid " 1SG" and resid 83 and name HA )) (( segid " 1SG" and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 4.609 ppm2 3.190 CV 1 ASSI { 1966} (( segid " 1SG" and resid 57 and name HB2 )) (( segid " 1SG" and resid 53 and name HA )) 3.500 1.600 1.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.13339E-02 ppm1 1.492 ppm2 4.054 CV 1 ASSI { 1968} (( segid " 1SG" and resid 33 and name HA )) (( segid " 1SG" and resid 34 and name HA )) 3.200 1.300 1.300 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.13327E-02 ppm1 4.451 ppm2 4.327 CV 1 ASSI { 1975} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 5 and name HA2 )) 2.600 2.600 3.400 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.13252E-02 ppm1 4.659 ppm2 3.881 CV 1 OR { 1975} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 5 and name HA1 )) ASSI { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD2 )) 3.000 1.100 1.100 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 0.817 ppm2 1.643 CV 1 OR { 1977} ( segid " 1SG" and resid 38 and name HG2%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD1 )) OR { 1977} ( segid " 1SG" and resid 38 and name HG1%) (( segid " 1SG" and resid 35 and name HD2 )) ASSI { 1979} ( segid " 1SG" and resid 18 and name HG2%) (( segid " 1SG" and resid 80 and name HA )) 3.000 1.100 1.100 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.13243E-02 ppm1 0.965 ppm2 4.629 CV 1 ASSI { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.13130E-02 ppm1 3.509 ppm2 1.780 CV 1 OR { 1987} (( segid " 1SG" and resid 36 and name HD2 )) (( segid " 1SG" and resid 35 and name HB2 )) ASSI { 1991} ( segid " 1SG" and resid 18 and name HG1%) (( segid " 1SG" and resid 81 and name HD2 )) 3.400 1.500 1.500 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.13089E-02 ppm1 1.013 ppm2 3.582 CV 1 ASSI { 1993} (( segid " 1SG" and resid 71 and name HA )) (( segid " 1SG" and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.13071E-02 ppm1 5.070 ppm2 1.269 CV 1 ASSI { 1994} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA2 )) 2.500 0.800 0.800 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 5.554 ppm2 4.675 CV 1 ASSI { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG2 )) 3.300 1.400 1.400 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 3.576 ppm2 2.181 CV 1 OR { 1996} (( segid " 1SG" and resid 81 and name HD2 )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 2003} (( segid " 1SG" and resid 57 and name HG )) ( segid " 1SG" and resid 49 and name HD1%) 3.100 1.200 1.200 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 0.757 ppm2 1.744 CV 1 ASSI { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HD1%) 3.000 1.100 1.100 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 4.352 ppm2 0.547 CV 1 OR { 2006} (( segid " 1SG" and resid 22 and name HA )) ( segid " 1SG" and resid 22 and name HG2%) ASSI { 2007} ( segid " 1SG" and resid 76 and name HG2%) (( segid " 1SG" and resid 57 and name HB2 )) 2.600 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.12946E-02 ppm1 0.827 ppm2 1.423 CV 1 ASSI { 2008} (( segid " 1SG" and resid 33 and name HG )) (( segid " 1SG" and resid 35 and name HA )) 3.200 1.300 1.300 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.12946E-02 ppm1 0.923 ppm2 4.674 CV 1 ASSI { 2016} ( segid " 1SG" and resid 22 and name HG2%) (( segid " 1SG" and resid 22 and name HA )) 3.300 1.300 1.300 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12890E-02 ppm1 0.604 ppm2 4.356 CV 1 ASSI { 2017} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 99 and name HA )) 2.800 1.000 1.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.12887E-02 ppm1 4.768 ppm2 5.709 CV 1 ASSI { 2024} ( segid " 1SG" and resid 49 and name HD2%) ( segid " 1SG" and resid 87 and name HD% ) 3.100 1.200 1.200 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 1.029 ppm2 6.809 CV 1 ASSI { 2025} (( segid " 1SG" and resid 4 and name HA )) (( segid " 1SG" and resid 4 and name HG12)) 3.100 1.200 1.200 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 4.024 ppm2 1.245 CV 1 ASSI { 2030} ( segid " 1SG" and resid 104 and name HD1%) (( segid " 1SG" and resid 15 and name HA )) 3.100 1.200 1.200 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 0.983 ppm2 5.499 CV 1 ASSI { 2043} (( segid " 1SG" and resid 89 and name HA )) (( segid " 1SG" and resid 99 and name HB2 )) 3.200 3.200 2.800 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 4.982 ppm2 2.753 CV 1 ASSI { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD1 )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 1.370 ppm2 1.689 CV 1 OR { 2047} (( segid " 1SG" and resid 40 and name HB2 )) (( segid " 1SG" and resid 40 and name HD2 )) ASSI { 2051} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 83 and name HA )) 3.100 1.200 1.200 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.12641E-02 ppm1 2.158 ppm2 4.588 CV 1 OR { 2051} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 83 and name HA )) ASSI { 2053} (( segid " 1SG" and resid 27 and name HD1 )) ( segid " 1SG" and resid 8 and name HG1%) 3.000 1.100 1.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 3.129 ppm2 0.966 CV 1 OR { 2053} (( segid " 1SG" and resid 27 and name HD2 )) ( segid " 1SG" and resid 8 and name HG1%) ASSI { 2066} (( segid " 1SG" and resid 10 and name HB2 )) ( segid " 1SG" and resid 26 and name HB% ) 3.300 3.300 2.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12479E-02 ppm1 1.238 ppm2 1.481 CV 1 ASSI { 2078} ( segid " 1SG" and resid 69 and name HG2%) (( segid " 1SG" and resid 27 and name HA )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.12379E-02 ppm1 0.856 ppm2 5.839 CV 1 OR { 2078} ( segid " 1SG" and resid 69 and name HG1%) (( segid " 1SG" and resid 27 and name HA )) ASSI { 2079} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.12370E-02 ppm1 1.049 ppm2 3.757 CV 1 ASSI { 2082} (( segid " 1SG" and resid 21 and name HA )) (( segid " 1SG" and resid 20 and name HN )) 3.100 3.100 2.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 5.517 ppm2 8.843 CV 1 ASSI { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB2 )) 3.100 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.12302E-02 ppm1 1.816 ppm2 2.887 CV 1 OR { 2087} (( segid " 1SG" and resid 58 and name HG2 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 2091} (( segid " 1SG" and resid 38 and name HA )) (( segid " 1SG" and resid 38 and name HB )) 3.000 1.100 1.100 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.12282E-02 ppm1 3.896 ppm2 1.900 CV 1 ASSI { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HG2 )) 2.800 1.000 1.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 2.368 ppm2 1.373 CV 1 OR { 2110} (( segid " 1SG" and resid 37 and name HD2 )) (( segid " 1SG" and resid 37 and name HB2 )) ASSI { 2115} (( segid " 1SG" and resid 97 and name HA )) (( segid " 1SG" and resid 97 and name HB2 )) 2.900 1.100 1.100 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.12131E-02 ppm1 5.275 ppm2 2.707 CV 1 ASSI { 2121} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 57 and name HB2 )) 3.000 3.000 3.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.12092E-02 ppm1 5.017 ppm2 1.434 CV 1 ASSI { 2125} (( segid " 1SG" and resid 73 and name HB2 )) ( segid " 1SG" and resid 23 and name HG2%) 3.000 1.100 1.100 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 1.540 ppm2 0.786 CV 1 ASSI { 2138} (( segid " 1SG" and resid 49 and name HA )) (( segid " 1SG" and resid 49 and name HB2 )) 3.000 1.100 1.100 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.11962E-02 ppm1 3.867 ppm2 1.568 CV 1 ASSI { 2158} (( segid " 1SG" and resid 22 and name HA )) (( segid " 1SG" and resid 22 and name HG12)) 3.500 1.500 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 4.352 ppm2 0.101 CV 1 ASSI { 2171} (( segid " 1SG" and resid 83 and name HA )) ( segid " 1SG" and resid 83 and name HD% ) 2.800 1.000 1.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.11802E-02 ppm1 4.623 ppm2 7.128 CV 1 ASSI { 2173} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 42 and name HA )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 4.223 ppm2 5.804 CV 1 ASSI { 2183} (( segid " 1SG" and resid 77 and name HA )) (( segid " 1SG" and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11725E-02 ppm1 4.660 ppm2 3.760 CV 1 ASSI { 2186} (( segid " 1SG" and resid 80 and name HG2 )) (( segid " 1SG" and resid 106 and name HB )) 3.400 3.400 2.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 2.159 ppm2 1.868 CV 1 OR { 2186} (( segid " 1SG" and resid 80 and name HG1 )) (( segid " 1SG" and resid 106 and name HB )) ASSI { 2192} ( segid " 1SG" and resid 76 and name HG2%) ( segid " 1SG" and resid 83 and name HD% ) 3.100 1.200 1.200 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 0.821 ppm2 7.134 CV 1 ASSI { 2197} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.11630E-02 ppm1 3.125 ppm2 1.911 CV 1 OR { 2197} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HB2 )) ASSI { 2202} ( segid " 1SG" and resid 39 and name HG1%) ( segid " 1SG" and resid 91 and name HG2%) 3.100 1.200 1.200 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.11609E-02 ppm1 -0.058 ppm2 0.160 CV 1 ASSI { 2207} (( segid " 1SG" and resid 65 and name HA )) (( segid " 1SG" and resid 68 and name HA )) 3.100 1.200 1.200 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11566E-02 ppm1 3.454 ppm2 3.592 CV 1 ASSI { 2222} (( segid " 1SG" and resid 48 and name HA )) (( segid " 1SG" and resid 48 and name HB2 )) 3.000 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.11455E-02 ppm1 4.212 ppm2 2.933 CV 1 ASSI { 2227} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HG )) 3.100 1.200 1.200 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.11418E-02 ppm1 5.435 ppm2 1.354 CV 1 ASSI { 2241} (( segid " 1SG" and resid 27 and name HD2 )) (( segid " 1SG" and resid 9 and name HG2 )) 3.200 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 3.123 ppm2 2.513 CV 1 OR { 2241} (( segid " 1SG" and resid 27 and name HD1 )) (( segid " 1SG" and resid 9 and name HG2 )) ASSI { 2243} (( segid " 1SG" and resid 28 and name HB )) (( segid " 1SG" and resid 70 and name HB2 )) 2.900 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 1.975 ppm2 2.823 CV 1 ASSI { 2255} ( segid " 1SG" and resid 77 and name HG2%) (( segid " 1SG" and resid 75 and name HB1 )) 2.900 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 1.046 ppm2 2.909 CV 1 ASSI { 2258} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD1%) 3.000 1.100 1.100 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 0.963 ppm2 0.668 CV 1 ASSI { 2270} ( segid " 1SG" and resid 23 and name HG2%) ( segid " 1SG" and resid 22 and name HD1%) 3.500 1.600 1.600 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 0.784 ppm2 0.496 CV 1 ASSI { 2271} (( segid " 1SG" and resid 76 and name HB )) (( segid " 1SG" and resid 57 and name HB2 )) 3.700 3.700 2.300 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 1.936 ppm2 1.428 CV 1 ASSI { 2279} (( segid " 1SG" and resid 13 and name HA )) (( segid " 1SG" and resid 102 and name HB2 )) 2.900 1.000 1.000 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 5.350 ppm2 2.743 CV 1 ASSI { 2280} (( segid " 1SG" and resid 42 and name HA )) (( segid " 1SG" and resid 42 and name HB2 )) 2.900 1.100 1.100 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.11127E-02 ppm1 5.803 ppm2 2.501 CV 1 ASSI { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.200 1.200 1.200 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 0.647 ppm2 1.378 CV 1 OR { 2289} ( segid " 1SG" and resid 28 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG2 )) 3.200 1.300 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 4.171 ppm2 1.264 CV 1 OR { 2293} (( segid " 1SG" and resid 31 and name HA )) (( segid " 1SG" and resid 68 and name HG1 )) ASSI { 2295} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 83 and name HB2 )) 3.700 1.700 1.700 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.11044E-02 ppm1 0.843 ppm2 3.209 CV 1 ASSI { 2296} ( segid " 1SG" and resid 59 and name HD2%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 0.713 ppm2 7.136 CV 1 ASSI { 2297} (( segid " 1SG" and resid 33 and name HB2 )) (( segid " 1SG" and resid 93 and name HA )) 3.300 3.300 2.700 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11022E-02 ppm1 1.752 ppm2 4.754 CV 1 ASSI { 2301} (( segid " 1SG" and resid 91 and name HB )) ( segid " 1SG" and resid 39 and name HG2%) 3.300 1.300 1.300 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.11000E-02 ppm1 1.137 ppm2 -0.446 CV 1 ASSI { 2304} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.10982E-02 ppm1 1.028 ppm2 3.184 CV 1 ASSI { 2305} (( segid " 1SG" and resid 6 and name HG )) (( segid " 1SG" and resid 96 and name HB2 )) 3.300 3.300 2.700 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 1.340 ppm2 1.586 CV 1 ASSI { 2310} (( segid " 1SG" and resid 70 and name HA )) (( segid " 1SG" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 4.744 ppm2 2.830 CV 1 ASSI { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD2%) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.10916E-02 ppm1 4.559 ppm2 0.871 CV 1 OR { 2317} (( segid " 1SG" and resid 93 and name HB )) ( segid " 1SG" and resid 33 and name HD1%) ASSI { 2323} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 94 and name HG1 )) 3.300 3.300 2.700 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.10891E-02 ppm1 4.616 ppm2 1.378 CV 1 OR { 2323} (( segid " 1SG" and resid 1 and name HA )) (( segid " 1SG" and resid 94 and name HG2 )) ASSI { 2331} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 81 and name HA )) 3.000 1.100 1.100 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10856E-02 ppm1 0.693 ppm2 4.008 CV 1 ASSI { 2335} (( segid " 1SG" and resid 39 and name HA )) (( segid " 1SG" and resid 39 and name HB )) 3.000 1.100 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.10813E-02 ppm1 4.804 ppm2 0.587 CV 1 ASSI { 2340} (( segid " 1SG" and resid 98 and name HA )) (( segid " 1SG" and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 4.694 ppm2 2.296 CV 1 ASSI { 2346} (( segid " 1SG" and resid 6 and name HB2 )) ( segid " 1SG" and resid 6 and name HD2%) 3.100 1.200 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 0.963 ppm2 0.486 CV 1 ASSI { 2348} ( segid " 1SG" and resid 26 and name HB% ) ( segid " 1SG" and resid 49 and name HD1%) 3.400 3.400 2.600 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.10744E-02 ppm1 1.470 ppm2 1.753 CV 1 ASSI { 2362} (( segid " 1SG" and resid 7 and name HA )) (( segid " 1SG" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.10696E-02 ppm1 4.637 ppm2 2.585 CV 1 ASSI { 2363} (( segid " 1SG" and resid 36 and name HA )) (( segid " 1SG" and resid 36 and name HG2 )) 3.700 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 4.009 ppm2 1.986 CV 1 ASSI { 2366} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 59 and name HA )) 3.500 1.500 1.500 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.10677E-02 ppm1 0.860 ppm2 5.189 CV 1 ASSI { 2373} (( segid " 1SG" and resid 98 and name HB2 )) (( segid " 1SG" and resid 6 and name HB2 )) 3.000 1.100 1.100 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 2.279 ppm2 0.921 CV 1 ASSI { 2378} (( segid " 1SG" and resid 104 and name HA )) (( segid " 1SG" and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 5.436 ppm2 1.226 CV 1 ASSI { 2379} (( segid " 1SG" and resid 13 and name HB2 )) (( segid " 1SG" and resid 12 and name HB2 )) 2.700 2.700 3.300 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.10572E-02 ppm1 2.629 ppm2 1.972 CV 1 ASSI { 2382} ( segid " 1SG" and resid 76 and name HD1%) (( segid " 1SG" and resid 76 and name HA )) 3.400 1.500 1.500 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 0.679 ppm2 5.010 CV 1 ASSI { 2393} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HB2 )) 2.800 1.000 1.000 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 4.124 ppm2 1.220 CV 1 ASSI { 2398} (( segid " 1SG" and resid 23 and name HA )) (( segid " 1SG" and resid 23 and name HB )) 3.100 1.200 1.200 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 5.126 ppm2 3.573 CV 1 ASSI { 2402} (( segid " 1SG" and resid 101 and name HA )) (( segid " 1SG" and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 5.518 ppm2 2.697 CV 1 ASSI { 2404} ( segid " 1SG" and resid 106 and name HG1%) (( segid " 1SG" and resid 83 and name HB2 )) 3.200 1.300 1.300 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10439E-02 ppm1 0.689 ppm2 3.185 CV 1 ASSI { 2405} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10434E-02 ppm1 1.468 ppm2 2.900 CV 1 ASSI { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD1 )) 3.000 1.100 1.100 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.10355E-02 ppm1 1.235 ppm2 1.303 CV 1 OR { 2415} (( segid " 1SG" and resid 43 and name HB2 )) (( segid " 1SG" and resid 43 and name HD2 )) ASSI { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD2 )) 3.500 1.500 1.500 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.10343E-02 ppm1 3.611 ppm2 1.688 CV 1 OR { 2419} (( segid " 1SG" and resid 68 and name HA )) (( segid " 1SG" and resid 68 and name HD1 )) ASSI { 2422} (( segid " 1SG" and resid 77 and name HB )) (( segid " 1SG" and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 4.020 ppm2 3.721 CV 1 ASSI { 2436} (( segid " 1SG" and resid 90 and name HA )) (( segid " 1SG" and resid 90 and name HB2 )) 2.900 1.100 1.100 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.10236E-02 ppm1 4.768 ppm2 2.030 CV 1 ASSI { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG1%) 3.400 1.500 1.500 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 4.810 ppm2 0.189 CV 1 OR { 2444} (( segid " 1SG" and resid 39 and name HA )) ( segid " 1SG" and resid 91 and name HG2%) ASSI { 2455} (( segid " 1SG" and resid 24 and name HB2 )) ( segid " 1SG" and resid 24 and name HD% ) 3.000 1.100 1.100 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.10126E-02 ppm1 2.410 ppm2 6.966 CV 1 ASSI { 2461} (( segid " 1SG" and resid 34 and name HG )) (( segid " 1SG" and resid 34 and name HA )) 3.200 1.300 1.300 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.10069E-02 ppm1 0.937 ppm2 4.292 CV 1 ASSI { 2472} (( segid " 1SG" and resid 41 and name HA )) (( segid " 1SG" and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 5.478 ppm2 3.157 CV 1 ASSI { 2478} ( segid " 1SG" and resid 49 and name HD2%) (( segid " 1SG" and resid 53 and name HN )) 3.200 1.300 1.300 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.99451E-03 ppm1 1.042 ppm2 6.757 CV 1 ASSI { 2484} (( segid " 1SG" and resid 103 and name HA )) (( segid " 1SG" and resid 86 and name HA1 )) 4.000 2.000 2.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.99275E-03 ppm1 5.555 ppm2 3.498 CV 1 ASSI { 2491} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HG12)) 2.900 1.100 1.100 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.98917E-03 ppm1 5.014 ppm2 1.107 CV 1 ASSI { 2498} (( segid " 1SG" and resid 69 and name HA )) (( segid " 1SG" and resid 69 and name HB )) 3.100 1.200 1.200 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.98305E-03 ppm1 4.599 ppm2 1.771 CV 1 ASSI { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB1 )) 3.600 1.600 1.600 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.98038E-03 ppm1 3.865 ppm2 2.293 CV 1 OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB2 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD2 )) (( segid " 1SG" and resid 3 and name HB1 )) OR { 2500} (( segid " 1SG" and resid 3 and name HD1 )) (( segid " 1SG" and resid 3 and name HB2 )) ASSI { 2501} (( segid " 1SG" and resid 42 and name HA )) ( segid " 1SG" and resid 49 and name HD1%) 3.200 1.200 1.200 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.98019E-03 ppm1 5.813 ppm2 1.783 CV 1 ASSI { 2511} (( segid " 1SG" and resid 16 and name HB )) (( segid " 1SG" and resid 22 and name HB )) 3.000 1.200 1.200 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.96938E-03 ppm1 1.814 ppm2 1.533 CV 1 ASSI { 2519} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HD1 )) 3.600 1.600 1.600 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.96672E-03 ppm1 4.053 ppm2 1.701 CV 1 OR { 2519} (( segid " 1SG" and resid 94 and name HA )) (( segid " 1SG" and resid 94 and name HD2 )) ASSI { 2523} ( segid " 1SG" and resid 53 and name HG1%) (( segid " 1SG" and resid 43 and name HB2 )) 3.300 3.300 2.700 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.96502E-03 ppm1 1.111 ppm2 1.209 CV 1 OR { 2523} ( segid " 1SG" and resid 53 and name HG2%) (( segid " 1SG" and resid 43 and name HB2 )) ASSI { 2528} (( segid " 1SG" and resid 6 and name HA )) ( segid " 1SG" and resid 6 and name HD2%) 3.400 1.400 1.400 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.96216E-03 ppm1 4.452 ppm2 0.493 CV 1 ASSI { 2531} ( segid " 1SG" and resid 26 and name HB% ) (( segid " 1SG" and resid 41 and name HH2 )) 2.900 2.900 3.100 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.96021E-03 ppm1 1.462 ppm2 6.633 CV 1 ASSI { 2535} (( segid " 1SG" and resid 76 and name HA )) (( segid " 1SG" and resid 76 and name HB )) 3.000 1.100 1.100 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.95643E-03 ppm1 5.017 ppm2 1.937 CV 1 ASSI { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD2%) 3.100 1.200 1.200 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.95630E-03 ppm1 1.444 ppm2 0.414 CV 1 OR { 2536} (( segid " 1SG" and resid 59 and name HG )) ( segid " 1SG" and resid 74 and name HD1%) ASSI { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.94934E-03 ppm1 -0.453 ppm2 1.391 CV 1 OR { 2549} ( segid " 1SG" and resid 39 and name HG2%) (( segid " 1SG" and resid 37 and name HG2 )) ASSI { 2550} (( segid " 1SG" and resid 85 and name HA2 )) (( segid " 1SG" and resid 44 and name HA2 )) 3.500 1.500 1.500 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.94921E-03 ppm1 4.537 ppm2 3.813 CV 1 ASSI { 2580} ( segid " 1SG" and resid 59 and name HD1%) (( segid " 1SG" and resid 41 and name HD1 )) 3.100 1.200 1.200 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.92786E-03 ppm1 0.866 ppm2 7.141 CV 1 ASSI { 2583} ( segid " 1SG" and resid 4 and name HG2%) (( segid " 1SG" and resid 7 and name HB2 )) 3.600 3.600 2.400 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.92675E-03 ppm1 0.908 ppm2 2.570 CV 1 ASSI { 2588} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 80 and name HG2 )) 3.300 1.300 1.300 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.92278E-03 ppm1 4.001 ppm2 2.191 CV 1 OR { 2588} (( segid " 1SG" and resid 81 and name HA )) (( segid " 1SG" and resid 80 and name HG1 )) ASSI { 2591} (( segid " 1SG" and resid 43 and name HA )) (( segid " 1SG" and resid 43 and name HG2 )) 3.300 1.400 1.400 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.92044E-03 ppm1 4.134 ppm2 0.081 CV 1 ASSI { 2595} (( segid " 1SG" and resid 108 and name HA )) ( segid " 1SG" and resid 106 and name HG2%) 2.800 2.800 3.200 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.91900E-03 ppm1 4.150 ppm2 0.398 CV 1 ASSI { 2607} ( segid " 1SG" and resid 104 and name HD2%) (( segid " 1SG" and resid 104 and name HA )) 3.400 1.400 1.400 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.90996E-03 ppm1 0.833 ppm2 5.446 CV 1 ASSI { 29} ( segid " 1SG" and resid 97 and name HD% ) ( segid " 1SG" and resid 97 and name HE% ) 2.100 0.500 0.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.74801E-02 ppm1 7.085 ppm2 7.264 CV 1 ASSI { 35} ( segid " 1SG" and resid 42 and name HE% ) (( segid " 1SG" and resid 42 and name HZ )) 2.100 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.64442E-02 ppm1 7.079 ppm2 7.178 CV 1 ASSI { 46} ( segid " 1SG" and resid 70 and name HD% ) (( segid " 1SG" and resid 70 and name HB2 )) 2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.67973E-02 ppm1 7.029 ppm2 2.797 CV 1 ASSI { 53} ( segid " 1SG" and resid 42 and name HD% ) ( segid " 1SG" and resid 42 and name HE% ) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33383E-02 ppm1 6.664 ppm2 7.098 CV 1 ASSI { 62} ( segid " 1SG" and resid 87 and name HE% ) ( segid " 1SG" and resid 104 and name HD1%) 2.300 2.300 3.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.67973E-02 ppm1 6.552 ppm2 0.945 CV 1 ASSI { 77} ( segid " 1SG" and resid 63 and name HE% ) ( segid " 1SG" and resid 63 and name HD% ) 2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.18952E-02 ppm1 6.071 ppm2 5.874 CV 1 ASSI { 87} (( segid " 1SG" and resid 46 and name HH2 )) (( segid " 1SG" and resid 46 and name HZ2 )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 7.111 ppm2 7.374 CV 1 ASSI { 97} ( segid " 1SG" and resid 70 and name HE% ) ( segid " 1SG" and resid 70 and name HD% ) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 6.595 ppm2 7.034 CV 1 ASSI { 104} (( segid " 1SG" and resid 46 and name HD1 )) (( segid " 1SG" and resid 46 and name HB2 )) 2.100 2.100 3.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.67973E-02 ppm1 7.109 ppm2 3.051 CV 1 ASSI { 109} ( segid " 1SG" and resid 87 and name HD% ) ( segid " 1SG" and resid 87 and name HE% ) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 6.767 ppm2 6.573 CV 1 ASSI { 120} ( segid " 1SG" and resid 102 and name HD% ) ( segid " 1SG" and resid 102 and name HE% ) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.67973E-02 ppm1 6.778 ppm2 7.092 CV 1 ASSI { 125} (( segid " 1SG" and resid 56 and name HE1 )) (( segid " 1SG" and resid 57 and name HG )) 3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 7.630 ppm2 0.738 CV 1 ASSI { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB2 )) 2.400 2.400 3.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.66795E-02 ppm1 8.255 ppm2 2.876 CV 1 OR { 180} (( segid " 1SG" and resid 75 and name HE1 )) (( segid " 1SG" and resid 75 and name HB1 )) ASSI { 187} ( segid " 1SG" and resid 24 and name HD% ) ( segid " 1SG" and resid 24 and name HE% ) 2.100 0.600 0.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.66795E-02 ppm1 6.951 ppm2 7.189 CV 1 ASSI { 190} ( segid " 1SG" and resid 83 and name HD% ) ( segid " 1SG" and resid 83 and name HE% ) 2.000 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.67069E-02 ppm1 7.090 ppm2 7.269 CV 1 ASSI { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG2 )) 1.900 1.900 4.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.67069E-02 ppm1 6.071 ppm2 1.670 CV 1 OR { 192} ( segid " 1SG" and resid 63 and name HE% ) (( segid " 1SG" and resid 65 and name HG1 )) ASSI { 195} (( segid " 1SG" and resid 41 and name HZ2 )) (( segid " 1SG" and resid 41 and name HH2 )) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67069E-02 ppm1 7.080 ppm2 6.606 CV 1
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