NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
532222 | 2l21 | 17110 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 21 and name HA )) 5.100 3.300 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.86732E-03 ppm1 -0.450 ppm2 5.033 CV 1 OR { 6} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 77 and name HA )) ASSI { 7} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.27856E-02 ppm1 -0.449 ppm2 4.361 CV 1 OR { 7} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 25 and name HA )) ASSI { 9} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 25 and name HB1 )) 4.000 2.000 2.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.90300E-03 ppm1 -0.453 ppm2 1.625 CV 1 OR { 9} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 86 and name HB1 )) ASSI { 11} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB1 )) 2.200 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.84742E-02 ppm1 -0.451 ppm2 1.256 CV 1 OR { 11} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 25 and name HB2 )) OR { 11} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB2 )) OR { 11} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 140 and name HG )) ASSI { 14} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 25 and name HD2%) 3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 -0.450 ppm2 0.648 CV 1 OR { 14} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 140 and name HD2%) OR { 14} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 45 and name HG2%) ASSI { 15} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 77 and name HD1%) 2.900 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12098E-01 ppm1 -0.450 ppm2 0.519 CV 1 OR { 15} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 45 and name HG1%) OR { 15} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 77 and name HD2%) ASSI { 37} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 68 and name HN )) 3.700 1.700 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.18480E-02 ppm1 0.542 ppm2 8.989 CV 1 OR { 37} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 64 and name HN )) ASSI { 39} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 67 and name HN )) 4.200 2.200 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.59220E-03 ppm1 0.544 ppm2 8.398 CV 1 OR { 39} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 41} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 34 and name HA )) 2.700 2.700 3.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.87922E-03 ppm1 0.543 ppm2 5.470 CV 1 OR { 41} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 42 and name HA )) OR { 41} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 32 and name HA )) ASSI { 42} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HA )) 2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.31383E-02 ppm1 0.542 ppm2 4.917 CV 1 OR { 42} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 62 and name HA )) ASSI { 43} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 63 and name HA )) 3.600 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13138E-02 ppm1 0.543 ppm2 4.826 CV 1 OR { 43} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 67 and name HA )) OR { 43} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 69 and name HA )) ASSI { 46} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 0.543 ppm2 3.080 CV 1 OR { 46} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 60 and name HB1 )) OR { 46} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 125 and name HB2 )) OR { 46} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 69 and name HB1 )) ASSI { 53} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 70 and name HB% ) 3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.50813E-02 ppm1 0.541 ppm2 1.291 CV 1 OR { 53} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 68 and name HB2 )) OR { 53} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 40 and name HG1 )) OR { 53} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 40 and name HG2 )) ASSI { 54} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 62 and name HG2%) 4.400 2.500 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.13048E-02 ppm1 0.541 ppm2 1.184 CV 1 OR { 54} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 59 and name HG2%) ASSI { 66} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HN )) 3.700 1.700 1.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.11571E-02 ppm1 0.698 ppm2 9.767 CV 1 OR { 66} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 60 and name HN )) ASSI { 68} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.68717E-03 ppm1 0.695 ppm2 9.666 CV 1 OR { 68} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 58 and name HN )) ASSI { 77} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 70 and name HB% ) 2.800 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.55621E-02 ppm1 0.695 ppm2 1.308 CV 1 OR { 77} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 68 and name HB2 )) ASSI { 79} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 68 and name HG )) 4.500 2.500 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.11278E-02 ppm1 0.701 ppm2 1.065 CV 1 ASSI { 114} (( segid " " and resid 34 and name HB )) (( segid " " and resid 33 and name HA )) 4.000 2.000 2.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.16259E-02 ppm1 4.079 ppm2 4.894 CV 1 OR { 114} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HA )) OR { 114} (( segid " " and resid 78 and name HB )) (( segid " " and resid 79 and name HA )) ASSI { 141} (( segid " " and resid 16 and name HB )) (( segid " " and resid 142 and name HB2 )) 4.800 2.900 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.47230E-03 ppm1 4.317 ppm2 3.091 CV 1 OR { 141} (( segid " " and resid 16 and name HB )) (( segid " " and resid 79 and name HB1 )) ASSI { 143} (( segid " " and resid 129 and name HB )) ( segid " " and resid 129 and name HG2%) 2.100 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.79140E-02 ppm1 4.335 ppm2 1.099 CV 1 OR { 143} (( segid " " and resid 16 and name HB )) ( segid " " and resid 16 and name HG2%) ASSI { 150} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 119 and name HN )) 3.700 1.700 1.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.16595E-02 ppm1 1.560 ppm2 8.293 CV 1 OR { 150} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 113 and name HN )) ASSI { 157} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 113 and name HA )) 4.600 2.700 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.75393E-03 ppm1 1.557 ppm2 4.717 CV 1 OR { 157} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 116 and name HA )) ASSI { 158} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 16 and name HA )) 3.800 1.800 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.21386E-02 ppm1 1.547 ppm2 4.520 CV 1 OR { 158} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HA )) OR { 158} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 139 and name HA )) ASSI { 160} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 15 and name HA )) 2.000 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.24136E-01 ppm1 1.538 ppm2 4.287 CV 1 OR { 160} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 138 and name HB )) OR { 160} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 16 and name HB )) ASSI { 167} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HE2 )) 3.400 1.500 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.22301E-02 ppm1 1.559 ppm2 2.938 CV 1 OR { 167} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HE1 )) OR { 167} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 137 and name HB2 )) OR { 167} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 18 and name HB1 )) ASSI { 172} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HD2 )) 2.800 1.000 3.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.11458E-01 ppm1 1.549 ppm2 1.654 CV 1 OR { 172} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HD1 )) ASSI { 176} ( segid " " and resid 114 and name HB% ) ( segid " " and resid 138 and name HG2%) 3.500 1.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.75267E-02 ppm1 1.536 ppm2 1.112 CV 1 OR { 176} ( segid " " and resid 15 and name HB% ) ( segid " " and resid 16 and name HG2%) ASSI { 181} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HN )) 3.200 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 3.028 ppm2 8.479 CV 1 OR { 181} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 45 and name HN )) OR { 181} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 50 and name HN )) ASSI { 186} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 87 and name HA )) 3.600 1.600 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.19093E-02 ppm1 3.019 ppm2 4.799 CV 1 OR { 186} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 75 and name HA )) OR { 186} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 75 and name HA )) OR { 186} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 51 and name HA )) ASSI { 190} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.32162E-02 ppm1 3.027 ppm2 4.251 CV 1 OR { 190} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 58 and name HA )) OR { 190} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 124 and name HA )) OR { 190} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 221} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 6 and name HB2 )) 3.000 3.000 3.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.24724E-02 ppm1 3.110 ppm2 2.093 CV 1 OR { 221} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 75 and name HB2 )) ASSI { 224} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 25 and name HB1 )) 3.100 1.200 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.23458E-02 ppm1 3.107 ppm2 1.640 CV 1 OR { 224} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 26 and name HD2 )) OR { 224} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 26 and name HD1 )) OR { 224} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 75 and name HB1 )) ASSI { 258} ( segid " " and resid 25 and name HD2%) ( segid " " and resid 31 and name HD% ) 3.100 1.200 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 0.669 ppm2 7.250 CV 1 OR { 258} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 136 and name HZ2 )) OR { 258} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 47 and name HN )) ASSI { 259} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 134 and name HA )) 3.200 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.98664E-03 ppm1 0.689 ppm2 5.248 CV 1 OR { 259} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 44 and name HA )) ASSI { 260} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HA )) 2.400 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.11887E-01 ppm1 0.669 ppm2 4.352 CV 1 OR { 260} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 22 and name HA )) ASSI { 261} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 121 and name HB )) 3.300 1.400 1.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.22460E-02 ppm1 0.683 ppm2 1.989 CV 1 OR { 261} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 26 and name HG1 )) ASSI { 264} ( segid " " and resid 123 and name HD1%) ( segid " " and resid 121 and name HG2%) 3.000 1.200 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.36415E-01 ppm1 0.687 ppm2 0.890 CV 1 OR { 264} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 22 and name HG )) OR { 264} ( segid " " and resid 123 and name HD1%) ( segid " " and resid 121 and name HG1%) OR { 264} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 86 and name HG )) ASSI { 277} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) 3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.13714E-02 ppm1 1.227 ppm2 8.720 CV 1 OR { 277} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 87 and name HN )) OR { 277} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 49 and name HN )) ASSI { 278} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 76 and name HN )) 3.300 3.300 2.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.25690E-02 ppm1 1.227 ppm2 8.053 CV 1 OR { 278} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 76 and name HN )) ASSI { 280} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 59 and name HA )) 2.800 2.800 3.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.72593E-02 ppm1 1.227 ppm2 4.509 CV 1 ASSI { 281} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HA )) 3.400 1.400 1.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.23212E-02 ppm1 1.252 ppm2 4.315 CV 1 OR { 281} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 46 and name HA )) OR { 281} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 6 and name HA )) ASSI { 283} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 28 and name HA )) 2.000 2.000 4.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.12439E-01 ppm1 1.228 ppm2 4.039 CV 1 OR { 283} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 76 and name HB )) OR { 283} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 57 and name HA )) OR { 283} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 76 and name HB )) OR { 283} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 71 and name HA2 )) ASSI { 293} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.41590E-02 ppm1 1.158 ppm2 9.347 CV 1 OR { 293} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 43 and name HN )) OR { 293} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 43 and name HN )) ASSI { 294} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 85 and name HN )) 3.400 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.17142E-02 ppm1 1.161 ppm2 9.090 CV 1 OR { 294} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 104 and name HN )) OR { 294} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 41 and name HN )) OR { 294} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 81 and name HN )) ASSI { 295} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HN )) 3.000 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.53457E-02 ppm1 1.167 ppm2 8.879 CV 1 OR { 295} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HN )) ASSI { 296} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.40593E-02 ppm1 1.162 ppm2 8.718 CV 1 OR { 296} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) ASSI { 297} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 71 and name HN )) 4.100 2.100 1.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.93772E-03 ppm1 1.171 ppm2 8.418 CV 1 OR { 297} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HN )) OR { 297} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 67 and name HN )) ASSI { 301} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 2.900 1.100 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.59687E-02 ppm1 1.166 ppm2 4.777 CV 1 OR { 301} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 31 and name HA )) ASSI { 302} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 59 and name HA )) 2.600 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.23158E-02 ppm1 1.157 ppm2 4.609 CV 1 OR { 302} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 86 and name HA )) ASSI { 303} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 59 and name HA )) 2.600 0.900 0.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.20173E-02 ppm1 1.163 ppm2 4.568 CV 1 OR { 303} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 70 and name HA )) ASSI { 305} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.100 0.500 0.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.14316E-01 ppm1 1.168 ppm2 4.073 CV 1 OR { 305} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HB )) ASSI { 306} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HB )) 2.300 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.11299E-01 ppm1 1.159 ppm2 3.973 CV 1 OR { 306} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 71 and name HA2 )) OR { 306} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 104 and name HB2 )) OR { 306} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 67 and name HB )) ASSI { 307} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 108 and name HB2 )) 4.500 2.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14015E-02 ppm1 1.157 ppm2 2.428 CV 1 OR { 307} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 81 and name HB2 )) OR { 307} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 119 and name HG2 )) OR { 307} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 119 and name HG1 )) OR { 307} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 27 and name HD1 )) OR { 307} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 44 and name HB1 )) ASSI { 308} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 65 and name HB2 )) 4.500 2.500 1.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.23958E-02 ppm1 1.161 ppm2 2.138 CV 1 OR { 308} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HE1 )) OR { 308} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HE2 )) OR { 308} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HG2 )) OR { 308} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HG1 )) ASSI { 309} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 43 and name HB1 )) 3.000 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.62932E-02 ppm1 1.167 ppm2 1.749 CV 1 OR { 309} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HB2 )) ASSI { 310} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 85 and name HB2 )) 2.300 0.700 0.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.83689E-02 ppm1 1.162 ppm2 1.632 CV 1 OR { 310} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 85 and name HB1 )) OR { 310} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HG2 )) ASSI { 312} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 33 and name HG12)) 3.200 1.300 1.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.66778E-02 ppm1 1.161 ppm2 1.412 CV 1 OR { 312} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 66 and name HG1 )) OR { 312} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 33 and name HG11)) OR { 312} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HG1 )) OR { 312} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 66 and name HG2 )) OR { 312} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 120 and name HG2 )) OR { 312} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 41 and name HG12)) OR { 312} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 120 and name HB2 )) OR { 312} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 41 and name HG11)) ASSI { 324} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 105 and name HD% ) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 0.767 ppm2 6.966 CV 1 OR { 324} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 133 and name HD% ) ASSI { 325} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 105 and name HE% ) 3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.25442E-02 ppm1 0.766 ppm2 6.732 CV 1 OR { 325} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 106 and name HD% ) ASSI { 332} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HB2 )) 4.000 2.200 2.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.28021E-02 ppm1 0.768 ppm2 2.106 CV 1 ASSI { 343} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HB2 )) 4.300 2.300 1.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.20527E-02 ppm1 1.429 ppm2 2.787 CV 1 ASSI { 4546} ( segid " " and resid 53 and name HA ) (( segid " " and resid 57 and name HB% )) 4.500 2.500 1.500 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.20527E-02 ppm1 4.380 ppm2 1.203 CV 1 ASSI { 368} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 101 and name HN )) 3.300 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.26744E-02 ppm1 2.105 ppm2 8.455 CV 1 ASSI { 370} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 97 and name HN )) 4.000 2.200 2.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 2.103 ppm2 7.071 CV 1 ASSI { 404} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 22 and name HN )) 4.400 2.400 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 2.903 ppm2 8.209 CV 1 OR { 404} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 29 and name HN )) OR { 404} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HN )) ASSI { 412} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HG2 )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 2.901 ppm2 1.457 CV 1 OR { 412} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 19 and name HG )) ASSI { 440} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 66 and name HB1 )) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 2.778 ppm2 1.837 CV 1 OR { 440} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 66 and name HB2 )) OR { 440} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 65 and name HG2 )) ASSI { 452} (( segid " " and resid 85 and name HE1 )) ( segid " " and resid 83 and name HG1%) 3.000 1.100 2.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.27728E-02 ppm1 2.716 ppm2 0.861 CV 1 OR { 452} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 73 and name HD2%) OR { 452} (( segid " " and resid 85 and name HE2 )) ( segid " " and resid 83 and name HG2%) ASSI { 457} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HB2 )) 4.400 2.400 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.10912E-02 ppm1 2.835 ppm2 4.350 CV 1 OR { 457} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HB1 )) OR { 457} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 118 and name HB2 )) OR { 457} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 118 and name HB1 )) OR { 457} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 119 and name HA )) OR { 457} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 80 and name HA )) ASSI { 461} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 117 and name HN )) 4.000 2.000 2.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.15663E-02 ppm1 2.729 ppm2 8.676 CV 1 OR { 461} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) OR { 461} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 464} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 72 and name HN )) 4.100 2.100 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 2.682 ppm2 8.799 CV 1 OR { 464} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HN )) ASSI { 465} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 122 and name HD% ) 3.200 1.300 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 2.676 ppm2 6.633 CV 1 OR { 465} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 134 and name HD% ) ASSI { 469} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 33 and name HD1%) 4.600 2.700 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.78927E-03 ppm1 2.672 ppm2 0.901 CV 1 OR { 469} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 121 and name HG2%) OR { 469} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 121 and name HG1%) ASSI { 473} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.27589E-02 ppm1 2.799 ppm2 4.794 CV 1 OR { 473} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 3 and name HA )) ASSI { 475} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 57 and name HB% ) 2.900 1.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.17195E-02 ppm1 2.772 ppm2 1.191 CV 1 OR { 475} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HB )) ASSI { 485} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 46 and name HN )) 3.600 3.600 2.400 peak 485 spectrum 1 weight 0.10000E+01 volume 0.36199E-02 ppm1 2.431 ppm2 8.246 CV 1 OR { 485} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 27 and name HN )) ASSI { 510} (( segid " " and resid 146 and name HB )) (( segid " " and resid 148 and name HN )) 4.400 2.400 1.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.68014E-03 ppm1 2.059 ppm2 8.390 CV 1 OR { 510} (( segid " " and resid 5 and name HB )) (( segid " " and resid 6 and name HN )) ASSI { 530} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HA )) 2.600 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.86656E-02 ppm1 2.043 ppm2 4.271 CV 1 OR { 530} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HA )) OR { 530} (( segid " " and resid 146 and name HB )) (( segid " " and resid 145 and name HA )) ASSI { 533} (( segid " " and resid 146 and name HB )) (( segid " " and resid 147 and name HD2 )) 3.500 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.22121E-02 ppm1 2.056 ppm2 3.648 CV 1 OR { 533} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 9 and name HA )) OR { 533} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 23 and name HA )) OR { 533} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 534} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HB1 )) 1.500 0.300 0.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14568E-01 ppm1 2.035 ppm2 2.388 CV 1 OR { 534} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) ASSI { 538} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.37137E-02 ppm1 1.776 ppm2 8.461 CV 1 OR { 538} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HN )) ASSI { 539} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HN )) 3.500 1.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.22702E-02 ppm1 1.761 ppm2 8.228 CV 1 OR { 539} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 51 and name HN )) ASSI { 549} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 13 and name HD21)) 3.800 1.800 2.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 1.665 ppm2 7.278 CV 1 OR { 549} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 13 and name HD21)) ASSI { 572} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.35089E-02 ppm1 2.088 ppm2 8.181 CV 1 OR { 572} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) OR { 572} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 8 and name HN )) OR { 572} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 27 and name HN )) ASSI { 576} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 27 and name HA )) 4.900 3.000 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.92437E-03 ppm1 2.054 ppm2 4.886 CV 1 OR { 576} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 27 and name HA )) OR { 576} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 582} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) 2.400 0.700 0.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.50863E-02 ppm1 2.090 ppm2 3.627 CV 1 OR { 582} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HA )) OR { 582} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 130 and name HA )) OR { 582} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 130 and name HA )) ASSI { 602} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HA )) 4.000 2.000 2.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.24927E-02 ppm1 2.000 ppm2 4.370 CV 1 OR { 602} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HA )) OR { 602} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 146 and name HA )) OR { 602} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 146 and name HA )) ASSI { 615} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HN )) 3.400 1.500 1.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.65534E-03 ppm1 1.225 ppm2 8.724 CV 1 OR { 615} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HN )) OR { 615} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 78 and name HN )) ASSI { 626} (( segid " " and resid 85 and name HG1 )) ( segid " " and resid 83 and name HG1%) 3.000 1.100 2.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.29428E-02 ppm1 1.254 ppm2 0.859 CV 1 OR { 626} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 83 and name HG1%) OR { 626} (( segid " " and resid 85 and name HG1 )) ( segid " " and resid 83 and name HG2%) OR { 626} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 83 and name HG2%) OR { 626} (( segid " " and resid 75 and name HG1 )) ( segid " " and resid 73 and name HD2%) ASSI { 628} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 138 and name HN )) 3.000 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.18767E-02 ppm1 1.162 ppm2 9.140 CV 1 OR { 628} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 110 and name HN )) ASSI { 629} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 109 and name HN )) 3.800 1.800 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 1.160 ppm2 8.327 CV 1 OR { 629} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 84 and name HN )) OR { 629} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 109 and name HN )) ASSI { 639} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 58 and name HA )) 4.000 2.000 2.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.82996E-03 ppm1 1.166 ppm2 4.244 CV 1 OR { 639} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 140 and name HA )) ASSI { 681} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.24414E-02 ppm1 3.868 ppm2 8.212 CV 1 OR { 681} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 27 and name HN )) OR { 681} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 51 and name HN )) ASSI { 683} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HA )) 3.300 1.500 1.300 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13314E-02 ppm1 3.868 ppm2 4.791 CV 1 OR { 683} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HA )) OR { 683} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 4 and name HA )) ASSI { 685} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.73114E-02 ppm1 3.847 ppm2 4.471 CV 1 OR { 685} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) ASSI { 686} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.89790E-02 ppm1 3.870 ppm2 4.441 CV 1 OR { 686} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 2 and name HA )) OR { 686} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 2 and name HA )) ASSI { 692} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 27 and name HG1 )) 4.100 2.100 1.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 3.866 ppm2 1.664 CV 1 OR { 692} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 50 and name HB2 )) OR { 692} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 50 and name HD1 )) OR { 692} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 50 and name HD2 )) OR { 692} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 26 and name HD2 )) OR { 692} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 26 and name HD1 )) OR { 692} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 26 and name HD2 )) ASSI { 712} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HN )) 4.400 2.500 1.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 4.168 ppm2 8.206 CV 1 OR { 712} (( segid " " and resid 5 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 714} (( segid " " and resid 5 and name HA )) (( segid " " and resid 4 and name HA )) 4.000 2.000 2.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.12417E-02 ppm1 4.164 ppm2 4.778 CV 1 ASSI { 726} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB )) 2.200 0.600 0.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.80155E-02 ppm1 4.163 ppm2 2.101 CV 1 OR { 726} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HB2 )) ASSI { 727} (( segid " " and resid 5 and name HA )) ( segid " " and resid 23 and name HG2%) 3.300 1.400 1.400 peak 727 spectrum 1 weight 0.10000E+01 volume 0.89314E-03 ppm1 4.163 ppm2 1.259 CV 1 OR { 727} (( segid " " and resid 5 and name HA )) ( segid " " and resid 47 and name HB% ) ASSI { 741} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HN )) 3.000 1.200 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.64275E-02 ppm1 4.339 ppm2 8.480 CV 1 OR { 741} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) ASSI { 752} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HB2 )) 5.000 3.100 1.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.65325E-03 ppm1 4.340 ppm2 2.733 CV 1 OR { 752} (( segid " " and resid 6 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 755} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) 2.500 0.800 0.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.77435E-02 ppm1 4.340 ppm2 2.117 CV 1 OR { 755} (( segid " " and resid 103 and name HA )) (( segid " " and resid 89 and name HB2 )) ASSI { 759} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HN )) 2.800 1.000 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.22066E-01 ppm1 4.265 ppm2 8.575 CV 1 OR { 759} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HN )) ASSI { 761} (( segid " " and resid 145 and name HA )) (( segid " " and resid 146 and name HN )) 1.800 0.400 0.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.21395E-01 ppm1 4.273 ppm2 8.192 CV 1 OR { 761} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HN )) ASSI { 776} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HG2 )) 2.800 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.77280E-02 ppm1 4.266 ppm2 2.240 CV 1 OR { 776} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HG1 )) OR { 776} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG1 )) OR { 776} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG2 )) ASSI { 779} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 2.400 0.600 0.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.14667E-01 ppm1 4.267 ppm2 1.993 CV 1 OR { 779} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) OR { 779} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) OR { 779} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HB1 )) OR { 779} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HB2 )) ASSI { 781} (( segid " " and resid 145 and name HA )) ( segid " " and resid 146 and name HG1%) 3.400 1.400 1.400 peak 781 spectrum 1 weight 0.10000E+01 volume 0.64841E-02 ppm1 4.255 ppm2 0.928 CV 1 OR { 781} (( segid " " and resid 145 and name HA )) ( segid " " and resid 146 and name HG2%) OR { 781} (( segid " " and resid 140 and name HA )) (( segid " " and resid 22 and name HG )) OR { 781} (( segid " " and resid 148 and name HA )) ( segid " " and resid 146 and name HG1%) ASSI { 790} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 3.800 1.800 1.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11215E-02 ppm1 4.350 ppm2 7.567 CV 1 OR { 790} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HD22)) ASSI { 794} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.49482E-02 ppm1 4.350 ppm2 2.843 CV 1 OR { 794} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) OR { 794} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) ASSI { 795} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.400 0.700 0.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.51270E-02 ppm1 4.350 ppm2 1.225 CV 1 OR { 795} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) OR { 795} (( segid " " and resid 25 and name HA )) (( segid " " and resid 22 and name HB1 )) OR { 795} (( segid " " and resid 25 and name HA )) (( segid " " and resid 22 and name HB1 )) OR { 795} (( segid " " and resid 25 and name HA )) (( segid " " and resid 22 and name HB2 )) OR { 795} (( segid " " and resid 25 and name HA )) (( segid " " and resid 22 and name HB2 )) ASSI { 796} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HD2%) 2.700 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.52228E-02 ppm1 4.352 ppm2 0.668 CV 1 OR { 796} (( segid " " and resid 25 and name HA )) ( segid " " and resid 45 and name HG2%) ASSI { 804} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HN )) 2.800 1.000 1.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.84381E-02 ppm1 4.395 ppm2 8.579 CV 1 OR { 804} (( segid " " and resid 114 and name HA )) (( segid " " and resid 116 and name HN )) ASSI { 816} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HG2 )) 3.700 1.700 1.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.36200E-02 ppm1 4.379 ppm2 1.431 CV 1 OR { 816} (( segid " " and resid 114 and name HA )) (( segid " " and resid 111 and name HG2 )) OR { 816} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HB2 )) ASSI { 825} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 2.400 0.600 0.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.76511E-02 ppm1 4.227 ppm2 8.461 CV 1 OR { 825} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 835} (( segid " " and resid 49 and name HA )) (( segid " " and resid 44 and name HB2 )) 2.400 0.700 0.700 peak 835 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 4.241 ppm2 2.351 CV 1 OR { 835} (( segid " " and resid 47 and name HA )) (( segid " " and resid 6 and name HG1 )) ASSI { 836} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HG2 )) 3.500 1.500 1.500 peak 836 spectrum 1 weight 0.10000E+01 volume 0.34405E-02 ppm1 4.229 ppm2 2.156 CV 1 OR { 836} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HG1 )) OR { 836} (( segid " " and resid 47 and name HA )) (( segid " " and resid 6 and name HB2 )) OR { 836} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HG2 )) ASSI { 839} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HB% ) 2.800 1.000 0.600 peak 839 spectrum 1 weight 0.10000E+01 volume 0.72548E-02 ppm1 4.219 ppm2 1.257 CV 1 OR { 839} (( segid " " and resid 47 and name HA )) (( segid " " and resid 73 and name HB1 )) ASSI { 841} (( segid " " and resid 47 and name HA )) ( segid " " and resid 73 and name HD2%) 3.400 1.500 1.500 peak 841 spectrum 1 weight 0.10000E+01 volume 0.11467E-02 ppm1 4.219 ppm2 0.839 CV 1 OR { 841} (( segid " " and resid 49 and name HA )) ( segid " " and resid 73 and name HD2%) ASSI { 842} (( segid " " and resid 47 and name HA )) ( segid " " and resid 73 and name HD1%) 2.800 1.000 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.43891E-02 ppm1 4.220 ppm2 0.637 CV 1 OR { 842} (( segid " " and resid 49 and name HA )) ( segid " " and resid 73 and name HD1%) OR { 842} (( segid " " and resid 49 and name HA )) ( segid " " and resid 45 and name HG2%) OR { 842} (( segid " " and resid 47 and name HA )) ( segid " " and resid 45 and name HG2%) ASSI { 899} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 30 and name HN )) 3.300 1.400 1.400 peak 899 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 1.453 ppm2 7.345 CV 1 OR { 899} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HN )) OR { 899} (( segid " " and resid 41 and name HG12)) ( segid " " and resid 31 and name HD% ) ASSI { 900} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 6 and name HE21)) 5.000 3.200 1.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.81878E-03 ppm1 1.447 ppm2 6.841 CV 1 OR { 900} (( segid " " and resid 27 and name HG2 )) ( segid " " and resid 27 and name HE ) ASSI { 901} (( segid " " and resid 41 and name HG11)) (( segid " " and resid 35 and name HA )) 3.500 1.600 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.91928E-03 ppm1 1.440 ppm2 4.886 CV 1 OR { 901} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HA )) OR { 901} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 61 and name HA )) OR { 901} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 35 and name HA )) OR { 901} (( segid " " and resid 41 and name HG11)) (( segid " " and resid 61 and name HA )) ASSI { 905} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 41 and name HN )) 3.600 1.600 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.78577E-03 ppm1 1.365 ppm2 9.092 CV 1 OR { 905} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 89 and name HN )) OR { 905} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 41 and name HN )) OR { 905} (( segid " " and resid 84 and name HG )) (( segid " " and resid 85 and name HN )) ASSI { 921} (( segid " " and resid 2 and name HE2 )) (( segid " " and resid 2 and name HG2 )) 2.400 0.700 0.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.99189E-02 ppm1 3.031 ppm2 1.487 CV 1 OR { 921} (( segid " " and resid 2 and name HE1 )) (( segid " " and resid 2 and name HG1 )) OR { 921} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HG1 )) OR { 921} (( segid " " and resid 2 and name HE1 )) (( segid " " and resid 2 and name HG2 )) OR { 921} (( segid " " and resid 99 and name HE1 )) (( segid " " and resid 99 and name HG1 )) OR { 921} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HG2 )) OR { 921} (( segid " " and resid 2 and name HE2 )) (( segid " " and resid 2 and name HG1 )) OR { 921} (( segid " " and resid 99 and name HE1 )) (( segid " " and resid 99 and name HG2 )) ASSI { 923} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 134 and name HD% ) 4.500 2.500 1.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.58136E-03 ppm1 0.697 ppm2 6.624 CV 1 OR { 923} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 122 and name HD% ) ASSI { 926} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 122 and name HB2 )) 3.900 1.900 1.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.14980E-02 ppm1 0.909 ppm2 2.684 CV 1 OR { 926} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 31 and name HB1 )) ASSI { 927} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 122 and name HB2 )) 3.700 1.700 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.13673E-02 ppm1 0.609 ppm2 2.679 CV 1 OR { 927} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 31 and name HB1 )) ASSI { 929} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB )) 2.600 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.30228E-02 ppm1 0.610 ppm2 1.867 CV 1 OR { 929} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 43 and name HB2 )) OR { 929} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 42 and name HB2 )) ASSI { 930} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 61 and name HB )) 5.100 3.200 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 0.610 ppm2 1.703 CV 1 OR { 930} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 43 and name HB1 )) ASSI { 932} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 61 and name HG12)) 4.500 2.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 0.612 ppm2 1.630 CV 1 OR { 932} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 61 and name HG11)) ASSI { 935} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HG1 )) 4.600 2.600 1.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.11924E-02 ppm1 0.610 ppm2 1.294 CV 1 OR { 935} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HG2 )) OR { 935} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 70 and name HB% ) ASSI { 936} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 41 and name HG2%) 1.900 0.500 0.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.12701E-01 ppm1 0.608 ppm2 0.879 CV 1 OR { 936} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 33 and name HD1%) ASSI { 945} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 945 spectrum 1 weight 0.10000E+01 volume 0.15747E-02 ppm1 0.607 ppm2 4.906 CV 1 OR { 945} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 61 and name HA )) ASSI { 947} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HA )) 5.200 3.400 0.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.61658E-03 ppm1 0.611 ppm2 4.614 CV 1 OR { 947} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 59 and name HA )) ASSI { 948} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 32 and name HA )) 4.100 2.100 1.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.11855E-02 ppm1 0.604 ppm2 5.480 CV 1 OR { 948} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 42 and name HA )) ASSI { 949} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 134 and name HD% ) 3.300 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.26815E-02 ppm1 0.609 ppm2 6.630 CV 1 OR { 949} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 134 and name HD% ) OR { 949} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 122 and name HD% ) OR { 949} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 122 and name HD% ) ASSI { 950} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 31 and name HD% ) 3.700 1.700 1.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.24109E-02 ppm1 0.610 ppm2 7.266 CV 1 OR { 950} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 125 and name HE% ) ASSI { 955} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 35 and name HN )) 5.500 3.200 0.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.75264E-03 ppm1 0.609 ppm2 8.211 CV 1 OR { 955} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HN )) ASSI { 959} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 41 and name HN )) 4.700 2.700 1.300 peak 959 spectrum 1 weight 0.10000E+01 volume 0.88135E-03 ppm1 0.907 ppm2 9.093 CV 1 OR { 959} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 135 and name HN )) ASSI { 960} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.22318E-02 ppm1 0.907 ppm2 8.794 CV 1 OR { 960} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 121 and name HN )) ASSI { 966} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 122 and name HD% ) 2.900 1.000 1.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.26291E-02 ppm1 0.904 ppm2 6.618 CV 1 OR { 966} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 134 and name HD% ) ASSI { 967} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 4.500 2.500 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 0.900 ppm2 4.889 CV 1 OR { 967} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 35 and name HA )) ASSI { 969} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HA )) 5.200 3.400 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.74229E-03 ppm1 0.903 ppm2 5.487 CV 1 OR { 969} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 32 and name HA )) ASSI { 971} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 42 and name HA )) 2.900 2.900 3.100 peak 971 spectrum 1 weight 0.10000E+01 volume 0.56698E-03 ppm1 0.689 ppm2 5.469 CV 1 OR { 971} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 32 and name HA )) OR { 971} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 34 and name HA )) ASSI { 976} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG12)) 2.200 0.600 0.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.66420E-02 ppm1 0.906 ppm2 1.409 CV 1 OR { 976} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG11)) OR { 976} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 120 and name HG2 )) OR { 976} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 41 and name HG11)) OR { 976} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 41 and name HG12)) ASSI { 987} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 122 and name HB2 )) 3.900 1.900 1.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.16065E-02 ppm1 0.960 ppm2 2.880 CV 1 OR { 987} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name HE1 )) OR { 987} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 38 and name HB2 )) ASSI { 991} ( segid " " and resid 70 and name HB% ) ( segid " " and resid 59 and name HG2%) 3.500 1.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.27726E-02 ppm1 1.314 ppm2 1.178 CV 1 OR { 991} ( segid " " and resid 70 and name HB% ) ( segid " " and resid 57 and name HB% ) ASSI { 994} ( segid " " and resid 70 and name HB% ) ( segid " " and resid 61 and name HD1%) 3.300 1.500 1.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.51951E-02 ppm1 1.311 ppm2 0.698 CV 1 ASSI { 1002} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 59 and name HB )) 3.300 1.500 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.37027E-02 ppm1 1.309 ppm2 1.873 CV 1 OR { 1002} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 43 and name HB2 )) ASSI { 1004} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 119 and name HB1 )) 3.900 1.900 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 0.958 ppm2 2.060 CV 1 OR { 1004} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 42 and name HG1 )) ASSI { 1007} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HG12)) 2.700 0.900 0.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.32258E-02 ppm1 0.961 ppm2 1.414 CV 1 OR { 1007} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 120 and name HG2 )) OR { 1007} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HG11)) OR { 1007} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 120 and name HB2 )) ASSI { 1009} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HB )) 2.100 0.600 0.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.57013E-02 ppm1 0.869 ppm2 1.863 CV 1 OR { 1009} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HB2 )) ASSI { 1019} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 119 and name HB2 )) 3.200 1.300 1.300 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.20198E-02 ppm1 0.959 ppm2 1.756 CV 1 OR { 1019} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 43 and name HB1 )) ASSI { 1024} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.800 1.000 0.600 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.80703E-02 ppm1 1.031 ppm2 4.253 CV 1 ASSI { 1028} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) 4.500 2.500 1.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.66933E-03 ppm1 1.027 ppm2 3.992 CV 1 ASSI { 1031} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 104 and name HB1 )) 3.600 1.600 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.25487E-02 ppm1 1.313 ppm2 5.123 CV 1 OR { 1031} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 89 and name HA )) ASSI { 1033} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HA )) 4.200 2.200 1.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 0.963 ppm2 5.498 CV 1 OR { 1033} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HA )) ASSI { 1035} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 134 and name HD% ) 3.800 1.800 1.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 0.868 ppm2 6.621 CV 1 OR { 1035} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 122 and name HD% ) ASSI { 1036} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 31 and name HD% ) 4.000 2.000 2.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.79413E-03 ppm1 0.963 ppm2 7.283 CV 1 OR { 1036} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 136 and name HZ3 )) ASSI { 1037} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name HN )) 4.100 2.100 1.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.91642E-03 ppm1 1.026 ppm2 8.878 CV 1 OR { 1037} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 72 and name HN )) ASSI { 1040} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 44 and name HN )) 3.300 1.400 1.400 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.16665E-02 ppm1 1.033 ppm2 8.121 CV 1 OR { 1040} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HN )) OR { 1040} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HN )) ASSI { 1043} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 60 and name HN )) 4.200 2.200 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.61083E-03 ppm1 1.033 ppm2 9.763 CV 1 OR { 1043} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 61 and name HN )) ASSI { 1047} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HN )) 3.400 1.500 1.500 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 0.867 ppm2 9.350 CV 1 OR { 1047} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 33 and name HN )) ASSI { 1049} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 25 and name HD1%) 3.000 1.100 1.100 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.38497E-02 ppm1 0.639 ppm2 -0.008 CV 1 OR { 1049} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 22 and name HD1%) ASSI { 1113} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 93 and name HD2 )) 4.500 2.500 1.500 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.80056E-03 ppm1 0.319 ppm2 4.082 CV 1 OR { 1113} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 91 and name HA1 )) ASSI { 1114} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 69 and name HB1 )) 4.900 3.000 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.69954E-03 ppm1 0.317 ppm2 3.090 CV 1 OR { 1114} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 60 and name HB1 )) ASSI { 1115} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 66 and name HE1 )) 3.000 3.000 3.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.63784E-03 ppm1 0.320 ppm2 2.970 CV 1 OR { 1115} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 66 and name HE2 )) OR { 1115} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 88 and name HB2 )) ASSI { 1133} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 90 and name HN )) 3.300 1.500 2.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.20290E-02 ppm1 2.306 ppm2 9.203 CV 1 OR { 1133} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 88 and name HN )) ASSI { 1134} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HN )) 3.700 1.700 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 2.295 ppm2 8.203 CV 1 OR { 1134} (( segid " " and resid 28 and name HG1 )) (( segid " " and resid 29 and name HN )) OR { 1134} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 29 and name HN )) OR { 1134} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HN )) ASSI { 1140} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HN )) 3.500 1.500 1.500 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.30199E-02 ppm1 2.234 ppm2 8.576 CV 1 OR { 1140} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HN )) OR { 1140} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 145 and name HN )) OR { 1140} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 145 and name HN )) ASSI { 1142} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HN )) 3.100 1.200 1.200 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.39631E-02 ppm1 2.230 ppm2 8.202 CV 1 OR { 1142} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HN )) OR { 1142} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HN )) OR { 1142} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 146 and name HN )) ASSI { 1143} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HA )) 2.800 1.000 0.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.75256E-02 ppm1 2.234 ppm2 4.267 CV 1 OR { 1143} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HA )) OR { 1143} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HA )) OR { 1143} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HA )) ASSI { 1158} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 4 and name HD21)) 3.400 1.500 1.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 1.686 ppm2 7.585 CV 1 OR { 1158} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 4 and name HD21)) OR { 1158} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 26 and name HN )) OR { 1158} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 26 and name HN )) ASSI { 1159} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 4 and name HA )) 3.400 1.500 1.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.96541E-03 ppm1 1.697 ppm2 4.822 CV 1 OR { 1159} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 4 and name HA )) OR { 1159} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 75 and name HA )) OR { 1159} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 75 and name HA )) OR { 1159} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 142 and name HA )) OR { 1159} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 142 and name HA )) ASSI { 1160} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 111 and name HA )) 3.600 1.600 1.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.26642E-02 ppm1 1.692 ppm2 4.540 CV 1 OR { 1160} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 111 and name HA )) OR { 1160} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HA )) OR { 1160} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HA )) OR { 1160} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 139 and name HA )) OR { 1160} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 139 and name HA )) OR { 1160} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 139 and name HA )) ASSI { 1267} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 87 and name HN )) 3.500 1.500 1.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.27853E-02 ppm1 0.511 ppm2 8.713 CV 1 OR { 1267} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 78 and name HN )) OR { 1267} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 78 and name HN )) ASSI { 1270} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 108 and name HD% ) 4.100 2.100 1.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.10135E-02 ppm1 0.512 ppm2 6.730 CV 1 OR { 1270} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 106 and name HD% ) OR { 1270} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 108 and name HD% ) OR { 1270} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 108 and name HD% ) ASSI { 1271} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 108 and name HE% ) 3.600 1.600 1.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 0.517 ppm2 6.460 CV 1 OR { 1271} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 108 and name HE% ) ASSI { 1272} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 10 and name HA )) 3.300 1.500 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.22565E-02 ppm1 0.507 ppm2 5.358 CV 1 OR { 1272} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 10 and name HA )) OR { 1272} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 88 and name HA )) ASSI { 1275} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) 2.600 0.900 0.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.56348E-02 ppm1 0.513 ppm2 5.032 CV 1 OR { 1275} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 1275} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 1275} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 21 and name HA )) ASSI { 1277} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 141 and name HA )) 3.400 1.500 1.500 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.13585E-02 ppm1 0.505 ppm2 4.546 CV 1 OR { 1277} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 1277} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 76 and name HA )) OR { 1277} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 141 and name HA )) OR { 1277} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 141 and name HA )) ASSI { 1278} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 22 and name HA )) 4.600 2.700 1.400 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.66218E-03 ppm1 0.501 ppm2 4.363 CV 1 OR { 1278} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 22 and name HA )) OR { 1278} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 109 and name HA )) ASSI { 1279} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 9 and name HA )) 3.300 1.500 1.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 0.511 ppm2 3.665 CV 1 OR { 1279} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 9 and name HA )) OR { 1279} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 45 and name HA )) ASSI { 1283} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB1 )) 2.900 1.100 1.100 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.26741E-02 ppm1 0.513 ppm2 1.624 CV 1 OR { 1283} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 86 and name HB1 )) OR { 1283} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 86 and name HB1 )) ASSI { 1284} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 140 and name HB1 )) 3.800 1.800 1.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.13311E-02 ppm1 0.511 ppm2 1.438 CV 1 OR { 1284} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 140 and name HB1 )) OR { 1284} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 72 and name HG1 )) OR { 1284} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 140 and name HB2 )) OR { 1284} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 41 and name HG12)) OR { 1284} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 85 and name HD1 )) OR { 1284} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 140 and name HB2 )) OR { 1284} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 85 and name HD2 )) OR { 1284} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 85 and name HD1 )) OR { 1284} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 85 and name HD2 )) OR { 1284} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 85 and name HD1 )) OR { 1284} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 85 and name HD2 )) ASSI { 1285} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HG )) 1.900 0.500 0.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.16748E-01 ppm1 0.510 ppm2 1.324 CV 1 OR { 1285} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HG )) OR { 1285} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB1 )) OR { 1285} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB2 )) OR { 1285} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HB1 )) OR { 1285} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 84 and name HG )) OR { 1285} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 84 and name HB2 )) ASSI { 1302} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HN )) 3.100 1.200 1.200 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 1.480 ppm2 8.232 CV 1 OR { 1302} (( segid " " and resid 99 and name HG1 )) (( segid " " and resid 99 and name HN )) OR { 1302} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 27 and name HN )) ASSI { 1304} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 97 and name HA )) 3.700 3.700 2.300 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 1.447 ppm2 4.482 CV 1 OR { 1304} (( segid " " and resid 99 and name HG1 )) (( segid " " and resid 97 and name HA )) ASSI { 1314} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HD2 )) 1.700 0.300 0.500 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.39505E-01 ppm1 1.455 ppm2 1.691 CV 1 OR { 1314} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HD2 )) OR { 1314} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HD1 )) OR { 1314} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HD2 )) OR { 1314} (( segid " " and resid 99 and name HG1 )) (( segid " " and resid 99 and name HD1 )) OR { 1314} (( segid " " and resid 99 and name HG1 )) (( segid " " and resid 99 and name HD2 )) OR { 1314} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HD1 )) OR { 1314} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HD1 )) OR { 1314} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HD2 )) ASSI { 1320} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 111 and name HN )) 2.100 2.100 3.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.36687E-02 ppm1 0.635 ppm2 6.926 CV 1 OR { 1320} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 136 and name HD1 )) ASSI { 1323} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 139 and name HA )) 2.500 2.500 3.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.13069E-02 ppm1 0.635 ppm2 4.566 CV 1 OR { 1323} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 141 and name HA )) OR { 1323} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 118 and name HA )) ASSI { 1328} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 21 and name HB1 )) 2.000 2.000 4.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.53735E-02 ppm1 0.637 ppm2 2.908 CV 1 OR { 1328} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 108 and name HB1 )) OR { 1328} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 27 and name HD1 )) OR { 1328} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 4 and name HB1 )) OR { 1328} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 137 and name HB2 )) OR { 1328} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 111 and name HE1 )) ASSI { 1329} ( segid " " and resid 140 and name HD2%) ( segid " " and resid 1 and name HE% ) 2.200 2.200 3.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.32002E-02 ppm1 0.635 ppm2 2.144 CV 1 OR { 1329} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 21 and name HB2 )) ASSI { 1330} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 48 and name HB1 )) 4.500 2.500 1.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.78105E-03 ppm1 0.633 ppm2 1.953 CV 1 OR { 1330} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 144 and name HB2 )) OR { 1330} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 144 and name HB1 )) ASSI { 1343} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 13 and name HN )) 4.300 2.400 1.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.13445E-02 ppm1 0.678 ppm2 8.206 CV 1 OR { 1343} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 22 and name HN )) ASSI { 4651} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 11 and name HN )) 4.000 2.200 2.000 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.13445E-02 ppm1 0.678 ppm2 8.756 CV 1 ASSI { 1352} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HD2 )) 2.800 1.000 0.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.48843E-02 ppm1 0.675 ppm2 2.954 CV 1 OR { 1352} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 21 and name HB1 )) ASSI { 1354} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.300 1.500 2.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.56196E-02 ppm1 0.676 ppm2 1.782 CV 1 OR { 1354} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 2 and name HB1 )) ASSI { 1355} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG )) 2.800 1.000 0.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.10124E-01 ppm1 0.675 ppm2 1.497 CV 1 OR { 1355} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HB1 )) OR { 1355} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HG2 )) ASSI { 1367} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 78 and name HA )) 3.300 1.500 1.100 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.33554E-02 ppm1 1.273 ppm2 4.769 CV 1 OR { 1367} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 3 and name HA )) ASSI { 1372} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 79 and name HB2 )) 3.900 1.900 1.900 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.24778E-02 ppm1 1.265 ppm2 2.575 CV 1 OR { 1372} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 97 and name HB2 )) ASSI { 1373} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 128 and name HG1 )) 3.300 1.500 1.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.39790E-02 ppm1 1.251 ppm2 2.407 CV 1 OR { 1373} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 128 and name HG2 )) OR { 1373} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 100 and name HG2 )) OR { 1373} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 127 and name HG1 )) OR { 1373} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 6 and name HG2 )) ASSI { 1375} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 100 and name HE% ) 3.300 1.500 1.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.50353E-02 ppm1 1.251 ppm2 2.114 CV 1 OR { 1375} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 5 and name HB )) OR { 1375} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 128 and name HB2 )) OR { 1375} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 95 and name HB2 )) OR { 1375} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 6 and name HB2 )) OR { 1375} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 127 and name HB2 )) OR { 1375} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 100 and name HB1 )) ASSI { 1376} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 26 and name HG1 )) 4.000 2.000 2.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.12705E-02 ppm1 1.250 ppm2 2.009 CV 1 OR { 1376} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 100 and name HB2 )) OR { 1376} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 6 and name HB1 )) ASSI { 1384} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name HN )) 3.300 1.500 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.35530E-02 ppm1 0.891 ppm2 9.095 CV 1 OR { 1384} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 135 and name HN )) OR { 1384} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 138 and name HN )) OR { 1384} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 85 and name HN )) OR { 1384} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 135 and name HN )) OR { 1384} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 137 and name HN )) ASSI { 1385} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HN )) 2.600 0.900 0.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.97584E-02 ppm1 0.891 ppm2 8.781 CV 1 OR { 1385} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 122 and name HN )) OR { 1385} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HN )) OR { 1385} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 122 and name HN )) ASSI { 1388} ( segid " " and resid 121 and name HG1%) ( segid " " and resid 122 and name HD% ) 4.700 2.700 1.300 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.86249E-03 ppm1 0.894 ppm2 6.626 CV 1 OR { 1388} ( segid " " and resid 121 and name HG2%) ( segid " " and resid 134 and name HD% ) OR { 1388} ( segid " " and resid 121 and name HG1%) ( segid " " and resid 134 and name HD% ) ASSI { 1389} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.15060E-01 ppm1 0.892 ppm2 4.306 CV 1 OR { 1389} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HA )) OR { 1389} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HA )) ASSI { 1443} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 11 and name HN )) 2.800 1.000 1.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.39125E-02 ppm1 0.692 ppm2 8.855 CV 1 ASSI { 1446} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 79 and name HD% ) 3.300 1.400 1.600 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.22605E-02 ppm1 0.694 ppm2 6.810 CV 1 OR { 1446} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 20 and name HE% ) ASSI { 1449} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 11 and name HA )) 3.300 1.400 1.400 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.23481E-02 ppm1 0.692 ppm2 4.557 CV 1 ASSI { 1450} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 20 and name HB1 )) 3.00 1.200 1.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.26144E-02 ppm1 0.693 ppm2 3.020 CV 1 OR { 1450} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 79 and name HB1 )) ASSI { 1451} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 20 and name HB2 )) 3.300 1.000 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.18547E-02 ppm1 0.694 ppm2 2.618 CV 1 OR { 1451} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 79 and name HB2 )) ASSI { 1462} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HA )) 3.700 1.700 1.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.21222E-02 ppm1 1.199 ppm2 4.911 CV 1 OR { 1462} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 33 and name HA )) ASSI { 1466} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 38 and name HB2 )) 4.500 2.500 1.500 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 1.206 ppm2 2.845 CV 1 OR { 1466} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 37 and name HB2 )) OR { 1466} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 122 and name HB2 )) ASSI { 1467} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HB1 )) 4.400 2.400 1.600 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.15578E-02 ppm1 1.206 ppm2 2.202 CV 1 OR { 1467} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 33 and name HB )) ASSI { 1475} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 137 and name HA )) 3.000 1.100 1.100 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.36132E-02 ppm1 0.574 ppm2 5.509 CV 1 OR { 1475} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 108 and name HA )) ASSI { 1479} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 107 and name HB1 )) 2.600 2.600 3.400 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.26057E-02 ppm1 0.574 ppm2 3.736 CV 1 OR { 1479} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 135 and name HB1 )) ASSI { 1480} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 107 and name HB2 )) 2.300 2.300 3.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.22293E-02 ppm1 0.575 ppm2 3.609 CV 1 OR { 1480} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 135 and name HB2 )) ASSI { 1483} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 83 and name HB )) 4.500 2.500 1.500 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.82802E-03 ppm1 0.574 ppm2 1.990 CV 1 ASSI { 1526} (( segid " " and resid 127 and name HG1 )) ( segid " " and resid 96 and name HG2%) 4.000 2.000 2.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.12956E-02 ppm1 2.416 ppm2 1.258 CV 1 OR { 1526} (( segid " " and resid 127 and name HG2 )) ( segid " " and resid 96 and name HG2%) OR { 1526} (( segid " " and resid 127 and name HG2 )) ( segid " " and resid 70 and name HB% ) ASSI { 1535} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HN )) 2.800 1.000 1.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.56629E-02 ppm1 1.989 ppm2 8.578 CV 1 OR { 1535} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HN )) ASSI { 1536} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HN )) 3.100 1.200 1.200 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.49984E-02 ppm1 1.993 ppm2 8.201 CV 1 OR { 1536} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HN )) OR { 1536} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 146 and name HN )) ASSI { 1537} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HA )) 2.800 0.600 0.600 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.95172E-02 ppm1 1.988 ppm2 4.268 CV 1 OR { 1537} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HA )) OR { 1537} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HA )) ASSI { 1539} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HG2 )) 2.200 0.600 0.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.13956E-01 ppm1 1.993 ppm2 2.236 CV 1 OR { 1539} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HG2 )) OR { 1539} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG2 )) OR { 1539} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HG1 )) OR { 1539} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG1 )) OR { 1539} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 144 and name HG1 )) ASSI { 1564} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HD1 )) 2.000 0.500 0.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.14000E-01 ppm1 1.331 ppm2 1.672 CV 1 OR { 1564} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HD2 )) OR { 1564} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 40 and name HB1 )) OR { 1564} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HB2 )) OR { 1564} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 40 and name HB2 )) OR { 1564} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HB1 )) OR { 1564} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HD1 )) OR { 1564} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HD2 )) ASSI { 1570} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 25 and name HN )) 3.200 3.200 2.800 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.94681E-03 ppm1 0.546 ppm2 7.911 CV 1 OR { 1570} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 140 and name HN )) ASSI { 1571} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 26 and name HN )) 4.500 2.600 1.500 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.68755E-03 ppm1 0.544 ppm2 7.576 CV 1 OR { 1571} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 44 and name HD21)) ASSI { 1572} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 47 and name HN )) 4.300 2.300 1.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.98283E-03 ppm1 0.546 ppm2 7.280 CV 1 OR { 1572} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 31 and name HD% ) ASSI { 1573} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 108 and name HD% ) 4.100 2.100 1.900 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.98835E-03 ppm1 0.546 ppm2 6.716 CV 1 OR { 1573} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 106 and name HD% ) ASSI { 1575} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 26 and name HA )) 3.400 1.400 1.400 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.29685E-02 ppm1 0.544 ppm2 4.332 CV 1 OR { 1575} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 22 and name HA )) OR { 1575} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 138 and name HB )) OR { 1575} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 6 and name HA )) ASSI { 1578} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 46 and name HB1 )) 3.900 1.900 1.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 0.548 ppm2 3.091 CV 1 OR { 1578} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 106 and name HB1 )) OR { 1578} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 44 and name HB1 )) ASSI { 1581} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.81422E-02 ppm1 0.546 ppm2 1.248 CV 1 OR { 1581} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 22 and name HB1 )) OR { 1581} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 25 and name HB2 )) OR { 1581} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 47 and name HB% ) OR { 1581} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 75 and name HG1 )) ASSI { 1584} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 22 and name HG )) 2.600 2.600 3.400 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.16081E-01 ppm1 0.558 ppm2 0.917 CV 1 OR { 1584} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 59 and name HG1%) ASSI { 1587} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 45 and name HG2%) 2.800 1.000 1.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.22996E-01 ppm1 0.546 ppm2 0.642 CV 1 OR { 1587} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 86 and name HD2%) OR { 1587} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 25 and name HD2%) ASSI { 1589} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 22 and name HD1%) 2.900 1.100 1.100 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.48957E-02 ppm1 0.544 ppm2 -0.008 CV 1 OR { 1589} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 25 and name HD1%) ASSI { 1598} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 71 and name HN )) 4.000 2.000 2.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 1.311 ppm2 8.434 CV 1 OR { 1598} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 69 and name HN )) ASSI { 1622} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HA )) 3.800 1.800 1.800 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.21460E-02 ppm1 4.220 ppm2 4.547 CV 1 OR { 1622} (( segid " " and resid 112 and name HA )) (( segid " " and resid 139 and name HA )) ASSI { 1629} (( segid " " and resid 24 and name HA )) (( segid " " and resid 3 and name HB2 )) 2.300 0.700 0.700 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.50966E-02 ppm1 4.226 ppm2 3.875 CV 1 OR { 1629} (( segid " " and resid 24 and name HA )) (( segid " " and resid 3 and name HB1 )) OR { 1629} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) ASSI { 1649} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HB1 )) 4.900 3.000 1.100 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.73868E-03 ppm1 4.364 ppm2 3.172 CV 1 OR { 1649} (( segid " " and resid 109 and name HA )) (( segid " " and resid 142 and name HB2 )) OR { 1649} (( segid " " and resid 146 and name HA )) (( segid " " and resid 148 and name HD1 )) OR { 1649} (( segid " " and resid 146 and name HA )) (( segid " " and resid 148 and name HD2 )) ASSI { 1652} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB )) 2.600 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.56066E-02 ppm1 4.387 ppm2 2.044 CV 1 OR { 1652} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HG1 )) ASSI { 1653} (( segid " " and resid 109 and name HA )) (( segid " " and resid 84 and name HB1 )) 5.200 3.300 0.800 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.59250E-03 ppm1 4.381 ppm2 1.767 CV 1 OR { 1653} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HB2 )) ASSI { 1659} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 3.100 1.200 1.200 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.17257E-02 ppm1 4.011 ppm2 8.220 CV 1 OR { 1659} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HN )) ASSI { 1676} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.800 1.000 0.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.34756E-02 ppm1 4.429 ppm2 8.212 CV 1 OR { 1676} (( segid " " and resid 29 and name HA )) (( segid " " and resid 27 and name HN )) OR { 1676} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) ASSI { 1725} (( segid " " and resid 54 and name HA )) (( segid " " and resid 53 and name HB2 )) 4.200 2.200 1.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.90927E-03 ppm1 4.293 ppm2 2.790 CV 1 OR { 1725} (( segid " " and resid 119 and name HA )) (( segid " " and resid 117 and name HB2 )) ASSI { 1733} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 146 and name HA )) 2.000 0.500 0.500 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.91627E-02 ppm1 3.871 ppm2 4.387 CV 1 OR { 1733} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HA )) ASSI { 1737} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HG2 )) 2.300 0.700 0.700 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.60201E-02 ppm1 3.871 ppm2 2.005 CV 1 OR { 1737} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HG1 )) OR { 1737} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 146 and name HB )) ASSI { 1742} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 4.600 2.700 1.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.56481E-03 ppm1 1.483 ppm2 6.920 CV 1 OR { 1742} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 133 and name HD% ) ASSI { 1747} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 48 and name HG1 )) 4.200 2.200 1.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.75967E-03 ppm1 1.485 ppm2 2.142 CV 1 OR { 1747} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 48 and name HG2 )) OR { 1747} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 21 and name HB2 )) OR { 1747} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HE2 )) OR { 1747} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HE1 )) ASSI { 1748} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 48 and name HB1 )) 4.200 2.200 1.800 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.63099E-03 ppm1 1.478 ppm2 1.969 CV 1 OR { 1748} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1754} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 73 and name HD2%) 2.900 1.000 1.000 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.43031E-02 ppm1 1.482 ppm2 0.843 CV 1 OR { 1754} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 140 and name HD1%) OR { 1754} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 140 and name HD1%) ASSI { 1756} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 123 and name HD2%) 2.800 1.000 1.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.30153E-02 ppm1 1.483 ppm2 0.656 CV 1 OR { 1756} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 140 and name HD2%) OR { 1756} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 19 and name HD1%) OR { 1756} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 140 and name HD2%) OR { 1756} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 123 and name HD1%) OR { 1756} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 73 and name HD1%) ASSI { 1760} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 74 and name HN )) 4.300 2.300 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.84202E-03 ppm1 1.161 ppm2 6.920 CV 1 OR { 1760} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 133 and name HD% ) ASSI { 1765} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 48 and name HG1 )) 4.300 2.300 1.700 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.80562E-03 ppm1 1.180 ppm2 2.136 CV 1 OR { 1765} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 48 and name HG2 )) OR { 1765} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HE2 )) OR { 1765} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HE1 )) OR { 1765} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 21 and name HB2 )) ASSI { 1771} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HG1 )) 3.400 3.400 2.600 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.38588E-02 ppm1 1.167 ppm2 1.367 CV 1 OR { 1771} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 77 and name HB1 )) OR { 1771} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 84 and name HG )) ASSI { 1778} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 73 and name HD1%) 2.500 0.800 0.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.60581E-02 ppm1 1.167 ppm2 0.684 CV 1 OR { 1778} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 123 and name HD1%) OR { 1778} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 123 and name HD2%) OR { 1778} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 19 and name HD1%) ASSI { 1783} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 4 and name HB1 )) 3.300 3.300 2.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.50836E-02 ppm1 1.610 ppm2 2.905 CV 1 OR { 1783} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 27 and name HD1 )) OR { 1783} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 108 and name HB1 )) OR { 1783} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 75 and name HE2 )) ASSI { 1791} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HG )) 1.900 0.500 0.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.11408E-01 ppm1 0.168 ppm2 1.334 CV 1 OR { 1791} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HB2 )) OR { 1791} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 77 and name HB1 )) OR { 1791} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 77 and name HG )) ASSI { 1792} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 77 and name HB2 )) 3.200 1.300 1.300 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.39710E-02 ppm1 0.168 ppm2 1.171 CV 1 OR { 1792} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 141 and name HB% ) ASSI { 1796} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.24220E-02 ppm1 0.168 ppm2 4.913 CV 1 OR { 1796} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 142 and name HA )) ASSI { 1799} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 11 and name HA )) 3.700 1.800 1.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 0.678 ppm2 4.554 CV 1 OR { 1799} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 59 and name HA )) OR { 1799} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 59 and name HA )) ASSI { 1815} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 20 and name HN )) 3.200 3.200 2.800 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.64594E-03 ppm1 0.169 ppm2 9.296 CV 1 OR { 1815} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 139 and name HN )) ASSI { 1817} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 79 and name HN )) 3.800 1.800 2.200 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 0.168 ppm2 8.865 CV 1 OR { 1817} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 11 and name HN )) OR { 1817} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 77 and name HN )) OR { 1817} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 23 and name HN )) ASSI { 1824} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 97 and name HB2 )) 3.600 1.600 1.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.45450E-02 ppm1 0.876 ppm2 2.571 CV 1 OR { 1824} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 100 and name HG2 )) ASSI { 1825} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 95 and name HB1 )) 3.800 1.800 2.200 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.20839E-02 ppm1 0.877 ppm2 2.391 CV 1 OR { 1825} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 128 and name HG2 )) ASSI { 1826} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 95 and name HG2 )) 3.300 1.500 2.200 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.27236E-02 ppm1 0.875 ppm2 2.247 CV 1 OR { 1826} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 94 and name HB2 )) OR { 1826} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 128 and name HB1 )) OR { 1826} (( segid " " and resid 98 and name HD1%)) (( segid " " and resid 106 and name HB1 )) ASSI { 1844} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 25 and name HB1 )) 3.700 1.700 1.700 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.23549E-02 ppm1 -0.017 ppm2 1.631 CV 1 OR { 1844} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 86 and name HB1 )) OR { 1844} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 26 and name HD2 )) ASSI { 1845} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 140 and name HB1 )) 3.500 1.500 1.500 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.40083E-02 ppm1 -0.017 ppm2 1.456 CV 1 OR { 1845} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 140 and name HB2 )) OR { 1845} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 26 and name HG2 )) ASSI { 1848} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 25 and name HD2%) 3.300 1.400 1.400 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.33920E-02 ppm1 -0.020 ppm2 0.676 CV 1 OR { 1848} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 11 and name HG1%) OR { 1848} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 140 and name HD2%) ASSI { 1855} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 135 and name HB2 )) 2.700 0.900 0.900 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.36313E-02 ppm1 0.685 ppm2 3.660 CV 1 OR { 1855} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 107 and name HB1 )) ASSI { 1856} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.17911E-01 ppm1 0.687 ppm2 4.232 CV 1 OR { 1856} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 124 and name HA )) ASSI { 1858} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 141 and name HA )) 3.800 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.78839E-03 ppm1 -0.017 ppm2 4.548 CV 1 OR { 1858} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 1859} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.85914E-02 ppm1 -0.017 ppm2 4.360 CV 1 OR { 1859} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 25 and name HA )) ASSI { 1860} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 46 and name HA )) 4.000 2.000 2.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 -0.015 ppm2 4.251 CV 1 OR { 1860} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 140 and name HA )) OR { 1860} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 138 and name HB )) OR { 1860} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 24 and name HA )) ASSI { 1864} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 21 and name HA )) 4.900 3.000 1.100 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.75005E-03 ppm1 -0.017 ppm2 5.040 CV 1 OR { 1864} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 1865} ( segid " " and resid 59 and name HG2%) ( segid " " and resid 47 and name HB% ) 4.800 2.800 1.200 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.80380E-03 ppm1 1.155 ppm2 7.254 CV 1 OR { 1865} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 69 and name HD21 )) OR { 1865} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 69 and name HD22 )) ASSI { 1866} ( segid " " and resid 59 and name HG2%) ( segid " " and resid 88 and name HD% ) 2.500 0.800 0.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.33034E-02 ppm1 1.157 ppm2 7.119 CV 1 OR { 1866} ( segid " " and resid 59 and name HG2%) ( segid " " and resid 134 and name HE% ) ASSI { 1867} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 59 and name HN )) 2.900 1.000 1.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 1.162 ppm2 6.903 CV 1 OR { 1867} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 74 and name HN )) ASSI { 1868} ( segid " " and resid 59 and name HG2%) ( segid " " and resid 106 and name HD% ) 3.600 1.600 1.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.34972E-02 ppm1 1.158 ppm2 6.722 CV 1 OR { 1868} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 108 and name HD% ) ASSI { 1870} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 60 and name HN )) 4.400 2.400 1.600 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.95754E-03 ppm1 1.153 ppm2 9.767 CV 1 OR { 1870} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 61 and name HN )) ASSI { 1871} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 61 and name HN )) 4.400 2.400 1.600 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.70174E-03 ppm1 1.069 ppm2 9.769 CV 1 OR { 1871} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 60 and name HN )) ASSI { 1872} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 60 and name HN )) 3.100 1.200 1.200 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.22923E-02 ppm1 0.953 ppm2 9.764 CV 1 OR { 1872} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 61 and name HN )) ASSI { 1873} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 43 and name HN )) 4.900 3.000 1.100 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.62825E-03 ppm1 0.930 ppm2 9.369 CV 1 OR { 1873} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 105 and name HN )) ASSI { 1874} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HN )) 4.300 2.300 1.700 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.11937E-02 ppm1 1.277 ppm2 8.580 CV 1 OR { 1874} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 4 and name HN )) ASSI { 1878} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 135 and name HN )) 3.100 1.200 1.200 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.19482E-02 ppm1 0.685 ppm2 9.090 CV 1 OR { 1878} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 134 and name HN )) ASSI { 1880} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 43 and name HA )) 4.500 2.600 1.500 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.70771E-03 ppm1 1.155 ppm2 5.865 CV 1 OR { 1880} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 104 and name HA )) ASSI { 1884} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 79 and name HB1 )) 3.200 1.300 1.300 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.32929E-02 ppm1 1.269 ppm2 3.064 CV 1 OR { 1884} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 20 and name HB1 )) ASSI { 1895} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 59 and name HB )) 2.200 0.600 0.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.65062E-02 ppm1 1.159 ppm2 1.865 CV 1 OR { 1895} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 43 and name HB2 )) OR { 1895} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HB1 )) ASSI { 1897} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.91661E-02 ppm1 0.862 ppm2 8.315 CV 1 OR { 1897} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 84 and name HN )) OR { 1897} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 84 and name HN )) ASSI { 1899} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HN )) 3.400 1.400 1.400 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.26357E-02 ppm1 0.858 ppm2 7.992 CV 1 OR { 1899} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HN )) ASSI { 1900} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 18 and name HN )) 4.100 2.100 1.900 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.80258E-03 ppm1 0.857 ppm2 7.832 CV 1 OR { 1900} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 1902} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 20 and name HN )) 3.800 1.800 1.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 0.860 ppm2 9.297 CV 1 OR { 1902} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 139 and name HN )) OR { 1902} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 139 and name HN )) ASSI { 1903} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name HN )) 2.800 1.000 0.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.52411E-02 ppm1 0.866 ppm2 9.151 CV 1 ASSI { 1910} ( segid " " and resid 83 and name HG1%) ( segid " " and resid 108 and name HD% ) 3.900 1.900 1.900 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.19583E-02 ppm1 0.857 ppm2 6.745 CV 1 OR { 1910} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 108 and name HD% ) OR { 1910} ( segid " " and resid 83 and name HG2%) ( segid " " and resid 108 and name HD% ) ASSI { 1912} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HA )) 2.400 0.700 0.700 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.72091E-02 ppm1 0.858 ppm2 5.498 CV 1 OR { 1912} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 137 and name HA )) OR { 1912} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 108 and name HA )) ASSI { 1913} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 107 and name HA )) 3.400 1.400 1.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.25777E-02 ppm1 0.859 ppm2 5.161 CV 1 OR { 1913} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 107 and name HA )) OR { 1913} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 138 and name HA )) ASSI { 1915} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HA )) 2.800 2.800 3.200 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.14715E-01 ppm1 0.928 ppm2 4.244 CV 1 OR { 1915} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 90 and name HA )) ASSI { 1921} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HD2 )) 2.500 0.800 0.800 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.60513E-02 ppm1 1.257 ppm2 1.662 CV 1 OR { 1921} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HD1 )) OR { 1921} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 75 and name HB1 )) ASSI { 1922} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HG1 )) 4.700 2.700 1.300 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.19542E-02 ppm1 1.167 ppm2 2.097 CV 1 OR { 1922} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HG2 )) OR { 1922} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 106 and name HB2 )) OR { 1922} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HE1 )) OR { 1922} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HD1 )) OR { 1922} ( segid " " and resid 59 and name HG2%) (( segid " " and resid 72 and name HE2 )) ASSI { 1924} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HG2 )) 2.900 2.900 3.100 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.57405E-02 ppm1 1.257 ppm2 1.479 CV 1 OR { 1924} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 73 and name HB1 )) ASSI { 1927} ( segid " " and resid 59 and name HG1%) ( segid " " and resid 125 and name HE% ) 3.600 1.600 1.600 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.14736E-02 ppm1 0.951 ppm2 7.259 CV 1 OR { 1927} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 47 and name HN )) ASSI { 1928} ( segid " " and resid 59 and name HG1%) ( segid " " and resid 134 and name HE% ) 3.300 1.400 1.400 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.28054E-02 ppm1 0.949 ppm2 7.102 CV 1 OR { 1928} ( segid " " and resid 59 and name HG1%) ( segid " " and resid 88 and name HD% ) ASSI { 1931} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 4 and name HD21)) 4.500 2.500 1.500 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.90436E-03 ppm1 0.932 ppm2 7.626 CV 1 OR { 1931} ( segid " " and resid 5 and name HG1%) (( segid " " and resid 4 and name HD21)) OR { 1931} ( segid " " and resid 5 and name HG1%) (( segid " " and resid 6 and name HE21)) OR { 1931} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 6 and name HE21)) OR { 1931} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 107 and name HN )) OR { 1931} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 107 and name HN )) ASSI { 1934} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 130 and name HN )) 3.700 1.700 1.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 1.105 ppm2 7.761 CV 1 OR { 1934} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 15 and name HN )) OR { 1934} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 1945} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 105 and name HE% ) 3.400 1.400 1.400 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.24496E-02 ppm1 0.487 ppm2 6.735 CV 1 OR { 1945} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 106 and name HD% ) ASSI { 1953} ( segid " " and resid 146 and name HG1%) (( segid " " and resid 147 and name HD2 )) 3.200 1.300 1.300 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.43780E-02 ppm1 0.938 ppm2 3.650 CV 1 OR { 1953} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 147 and name HD2 )) OR { 1953} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 135 and name HB2 )) ASSI { 1960} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 82 and name HB2 )) 3.800 1.800 1.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.32565E-02 ppm1 0.848 ppm2 2.491 CV 1 OR { 1960} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 81 and name HB2 )) OR { 1960} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 136 and name HB2 )) OR { 1960} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 136 and name HB2 )) OR { 1960} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 82 and name HB2 )) ASSI { 1961} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 108 and name HB2 )) 3.800 1.800 1.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.25844E-02 ppm1 0.849 ppm2 2.374 CV 1 OR { 1961} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 82 and name HB2 )) OR { 1961} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 14 and name HB1 )) OR { 1961} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 82 and name HB2 )) OR { 1961} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 82 and name HB2 )) ASSI { 1964} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HA )) 4.300 2.300 1.700 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 0.769 ppm2 5.144 CV 1 OR { 1964} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 104 and name HB1 )) OR { 1964} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 105 and name HA )) ASSI { 1971} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 15 and name HN )) 2.200 0.600 0.600 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.11131E-01 ppm1 1.563 ppm2 7.725 CV 1 OR { 1971} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 114 and name HN )) ASSI { 1973} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 60 and name HN )) 4.300 2.300 1.700 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.72993E-03 ppm1 1.196 ppm2 9.765 CV 1 OR { 1973} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 61 and name HN )) ASSI { 1978} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 59 and name HN )) 3.100 1.200 1.200 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.21260E-02 ppm1 0.266 ppm2 6.906 CV 1 OR { 1978} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 74 and name HN )) ASSI { 1981} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 49 and name HN )) 4.000 2.000 2.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.90676E-03 ppm1 0.269 ppm2 8.689 CV 1 OR { 1981} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 75 and name HN )) ASSI { 1985} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 108 and name HA )) 3.600 1.600 1.600 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.20194E-02 ppm1 1.097 ppm2 5.509 CV 1 OR { 1985} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 137 and name HA )) ASSI { 1995} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 57 and name HA )) 4.400 2.400 1.600 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.92548E-03 ppm1 0.262 ppm2 4.039 CV 1 OR { 1995} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 71 and name HA2 )) ASSI { 1996} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 48 and name HA )) 3.700 1.700 1.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.13481E-02 ppm1 0.266 ppm2 3.786 CV 1 OR { 1996} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 45 and name HA )) OR { 1996} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 71 and name HA1 )) OR { 1996} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 74 and name HB2 )) OR { 1996} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 74 and name HB1 )) ASSI { 2000} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 53 and name HB1 )) 2.800 1.000 0.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.35858E-02 ppm1 1.194 ppm2 3.101 CV 1 OR { 2000} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 69 and name HB1 )) OR { 2000} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 142 and name HB2 )) ASSI { 2007} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HB1 )) 4.500 2.500 1.500 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.19070E-02 ppm1 0.872 ppm2 1.710 CV 1 OR { 2007} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 61 and name HB )) ASSI { 2009} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HA )) 3.600 1.600 1.600 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.87127E-03 ppm1 0.863 ppm2 5.483 CV 1 OR { 2009} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 32 and name HA )) ASSI { 2011} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 31 and name HD% ) 3.300 1.500 2.700 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.29718E-02 ppm1 0.868 ppm2 7.264 CV 1 OR { 2011} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 125 and name HE% ) ASSI { 2019} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 60 and name HN )) 4.200 2.200 1.800 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.87207E-03 ppm1 0.868 ppm2 9.762 CV 1 OR { 2019} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 61 and name HN )) ASSI { 2022} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 61 and name HA )) 3.600 1.600 1.600 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.14589E-02 ppm1 0.866 ppm2 4.903 CV 1 OR { 2022} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 35 and name HA )) ASSI { 2026} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 97 and name HA )) 3.300 1.500 1.500 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.60555E-02 ppm1 2.104 ppm2 4.452 CV 1 OR { 2026} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 129 and name HA )) ASSI { 2030} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HB2 )) 2.100 0.500 0.500 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.88181E-02 ppm1 0.167 ppm2 1.271 CV 1 OR { 2030} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 22 and name HB1 )) OR { 2030} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 85 and name HG1 )) ASSI { 2039} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HN )) 3.000 1.100 1.100 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.16512E-02 ppm1 1.408 ppm2 7.585 CV 1 OR { 2039} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HN )) OR { 2039} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HN )) ASSI { 2041} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HB1 )) 2.900 1.100 1.100 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.21449E-02 ppm1 -0.017 ppm2 1.630 CV 1 OR { 2041} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 26 and name HD2 )) OR { 2041} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 86 and name HB1 )) ASSI { 2043} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HB2 )) 2.900 1.000 1.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.45922E-02 ppm1 -0.014 ppm2 1.261 CV 1 OR { 2043} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HB1 )) OR { 2043} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HB2 )) ASSI { 2046} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 25 and name HD2%) 2.400 0.700 0.700 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.94385E-02 ppm1 -0.012 ppm2 0.665 CV 1 OR { 2046} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 45 and name HG2%) ASSI { 2048} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HG )) 4.200 2.200 1.800 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.20686E-02 ppm1 -0.014 ppm2 0.928 CV 1 OR { 2048} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 33 and name HG2%) ASSI { 2051} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.22083E-02 ppm1 -0.012 ppm2 4.360 CV 1 OR { 2051} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HA )) ASSI { 2052} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 108 and name HD% ) 4.300 2.300 1.700 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.91094E-03 ppm1 -0.014 ppm2 6.727 CV 1 OR { 2052} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 106 and name HD% ) ASSI { 2054} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 133 and name HB1 )) 2.900 1.100 1.100 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.28867E-02 ppm1 0.683 ppm2 2.722 CV 1 OR { 2054} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 31 and name HB1 )) ASSI { 2055} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 135 and name HB1 )) 3.200 1.300 1.300 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.31503E-02 ppm1 0.688 ppm2 3.772 CV 1 OR { 2055} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 71 and name HA1 )) ASSI { 2056} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.36481E-02 ppm1 0.686 ppm2 3.660 CV 1 OR { 2056} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 124 and name HB1 )) OR { 2056} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 124 and name HB2 )) ASSI { 2059} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 20 and name HB1 )) 2.800 1.000 1.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.26986E-02 ppm1 0.435 ppm2 2.994 CV 1 OR { 2059} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 108 and name HB1 )) ASSI { 2060} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 141 and name HA )) 2.700 0.900 0.900 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.34934E-02 ppm1 0.436 ppm2 4.554 CV 1 OR { 2060} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 70 and name HA )) ASSI { 2061} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HA )) 3.600 1.600 1.600 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 0.737 ppm2 4.252 CV 1 OR { 2061} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 123 and name HA )) ASSI { 2062} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 47 and name HN )) 3.100 1.200 1.200 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.25323E-02 ppm1 0.676 ppm2 7.292 CV 1 OR { 2062} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 31 and name HD% ) ASSI { 2063} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 108 and name HD% ) 3.900 1.900 1.900 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.15156E-02 ppm1 0.675 ppm2 6.731 CV 1 OR { 2063} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 106 and name HD% ) OR { 2063} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 106 and name HD% ) OR { 2063} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 106 and name HD% ) ASSI { 2064} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 108 and name HD% ) 3.600 1.600 1.600 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.24938E-02 ppm1 0.641 ppm2 6.708 CV 1 OR { 2064} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 106 and name HD% ) OR { 2064} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 106 and name HD% ) ASSI { 2067} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 133 and name HD% ) 4.500 2.500 1.500 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.78287E-03 ppm1 0.692 ppm2 6.927 CV 1 OR { 2067} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 59 and name HN )) OR { 2067} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 105 and name HD% ) ASSI { 2070} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 0.675 ppm2 9.374 CV 1 OR { 2070} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 105 and name HN )) ASSI { 2071} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 88 and name HN )) 4.400 2.400 1.600 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.81095E-03 ppm1 0.674 ppm2 9.211 CV 1 OR { 2071} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 31 and name HN )) OR { 2071} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 88 and name HN )) ASSI { 2074} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 135 and name HN )) 3.900 1.900 1.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.18703E-02 ppm1 0.686 ppm2 9.090 CV 1 OR { 2074} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 134 and name HN )) OR { 2074} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 41 and name HN )) OR { 2074} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 134 and name HN )) OR { 2074} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 135 and name HN )) ASSI { 2075} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 44 and name HN )) 4.400 2.400 1.600 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.96035E-03 ppm1 0.676 ppm2 8.123 CV 1 OR { 2075} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 44 and name HN )) ASSI { 2084} ( segid " " and resid 84 and name HD2%) ( segid " " and resid 141 and name HB% ) 3.000 1.100 1.100 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.49748E-02 ppm1 0.435 ppm2 1.168 CV 1 OR { 2084} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 77 and name HB2 )) OR { 2084} ( segid " " and resid 84 and name HD2%) ( segid " " and resid 78 and name HG2%) ASSI { 2085} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 133 and name HB2 )) 3.800 1.800 1.800 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 0.681 ppm2 2.641 CV 1 OR { 2085} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 60 and name HB2 )) OR { 2085} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 105 and name HB2 )) ASSI { 2086} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 120 and name HB1 ) 3.300 1.800 2.700 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.10733E-01 ppm1 0.685 ppm2 1.344 CV 1 OR { 2086} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 33 and name HG12)) ASSI { 2091} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 120 and name HD1 )) 2.500 0.800 0.800 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.34321E-02 ppm1 1.576 ppm2 3.162 CV 1 OR { 2091} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HD2 )) OR { 2091} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HD1 )) OR { 2091} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HD2 )) OR { 2091} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 120 and name HD2 )) OR { 2091} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HD1 )) ASSI { 2092} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.53967E-02 ppm1 2.150 ppm2 4.256 CV 1 OR { 2092} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HA )) OR { 2092} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 15 and name HA )) ASSI { 2094} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 134 and name HE% ) 3.700 1.700 1.700 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.71414E-03 ppm1 0.623 ppm2 7.111 CV 1 OR { 2094} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 88 and name HD% ) ASSI { 2096} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 134 and name HD% ) 3.600 1.600 1.600 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 0.615 ppm2 6.624 CV 1 OR { 2096} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 88 and name HE% ) ASSI { 2115} (( segid " " and resid 120 and name HG2 )) ( segid " " and resid 32 and name HG2%) 2.400 2.400 3.600 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.75549E-02 ppm1 1.468 ppm2 1.185 CV 1 OR { 2115} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 123 and name HB2 )) OR { 2115} (( segid " " and resid 120 and name HG2 )) ( segid " " and resid 141 and name HB% ) OR { 2115} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 109 and name HB )) ASSI { 2122} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HE2 )) 2.100 0.600 0.600 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.11758E-01 ppm1 1.718 ppm2 3.029 CV 1 OR { 2122} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HE1 )) OR { 2122} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HE2 )) OR { 2122} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HE1 )) OR { 2122} (( segid " " and resid 99 and name HD1 )) (( segid " " and resid 99 and name HE1 )) OR { 2122} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HE1 )) OR { 2122} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HE2 )) OR { 2122} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HE1 )) OR { 2122} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HE1 )) OR { 2122} (( segid " " and resid 99 and name HD1 )) (( segid " " and resid 99 and name HE2 )) OR { 2122} (( segid " " and resid 66 and name HD1 )) (( segid " " and resid 66 and name HE2 )) OR { 2122} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HE2 )) OR { 2122} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HE2 )) OR { 2122} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HE2 )) OR { 2122} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HE1 )) ASSI { 2123} (( segid " " and resid 99 and name HD1 )) (( segid " " and resid 99 and name HA )) 3.600 1.600 1.600 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.30436E-02 ppm1 1.723 ppm2 4.270 CV 1 OR { 2123} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HA )) OR { 2123} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 26 and name HA )) OR { 2123} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 26 and name HA )) ASSI { 2127} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HN )) 2.600 0.900 0.900 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.34545E-02 ppm1 2.119 ppm2 8.168 CV 1 OR { 2127} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) OR { 2127} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) ASSI { 2128} (( segid " " and resid 99 and name HD1 )) (( segid " " and resid 99 and name HN )) 3.900 1.900 1.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 1.716 ppm2 8.237 CV 1 OR { 2128} (( segid " " and resid 99 and name HD2 )) (( segid " " and resid 99 and name HN )) OR { 2128} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 27 and name HN )) OR { 2128} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 27 and name HN )) OR { 2128} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 46 and name HN )) ASSI { 2129} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 3.537 ppm2 8.280 CV 1 OR { 2129} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) ASSI { 2130} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.400 1.500 1.500 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.13454E-02 ppm1 2.887 ppm2 8.284 CV 1 OR { 2130} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 2160} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HB2 )) 2.200 0.600 0.600 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 3.352 ppm2 2.952 CV 1 OR { 2160} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 111 and name HE1 )) OR { 2160} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 111 and name HE2 )) ASSI { 2177} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HN )) 3.500 1.500 1.200 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.31525E-02 ppm1 1.928 ppm2 8.581 CV 1 OR { 2177} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HN )) OR { 2177} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HN )) ASSI { 2178} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HA )) 2.400 0.700 0.700 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.69680E-02 ppm1 1.930 ppm2 4.264 CV 1 OR { 2178} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HA )) OR { 2178} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HA )) OR { 2178} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 47 and name HA )) ASSI { 2186} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 3.300 1.300 1.300 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 1.880 ppm2 7.581 CV 1 OR { 2186} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 44 and name HD21)) OR { 2186} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 4 and name HD21)) ASSI { 2198} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 2.400 0.700 0.700 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.65294E-02 ppm1 1.881 ppm2 4.275 CV 1 OR { 2198} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HA )) OR { 2198} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HA )) ASSI { 2199} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HA )) 2.100 0.500 0.500 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.11011E-01 ppm1 2.387 ppm2 4.266 CV 1 OR { 2199} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 95 and name HA )) ASSI { 2213} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HN )) 2.600 0.900 0.900 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.37295E-02 ppm1 1.876 ppm2 8.231 CV 1 OR { 2213} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HN )) OR { 2213} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 27 and name HN )) ASSI { 2231} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HG2 )) 2.300 0.600 0.600 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.85975E-02 ppm1 1.868 ppm2 1.483 CV 1 OR { 2231} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HG1 )) OR { 2231} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG2 )) OR { 2231} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG1 )) OR { 2231} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HG2 )) ASSI { 2232} (( segid " " and resid 45 and name HB )) ( segid " " and resid 45 and name HG2%) 2.500 0.800 0.800 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.27798E-02 ppm1 1.557 ppm2 0.649 CV 1 OR { 2232} (( segid " " and resid 45 and name HB )) ( segid " " and resid 25 and name HD2%) ASSI { 2241} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HE21)) 3.100 1.200 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.23515E-02 ppm1 2.430 ppm2 6.839 CV 1 OR { 2241} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HE21)) OR { 2241} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HE22)) ASSI { 2242} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 4 and name HD21)) 3.300 1.400 1.400 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.28857E-02 ppm1 2.432 ppm2 7.570 CV 1 OR { 2242} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 26 and name HN )) OR { 2242} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 44 and name HD21)) ASSI { 2273} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 63 and name HB1 )) 2.900 1.000 1.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.13440E-02 ppm1 1.843 ppm2 2.782 CV 1 OR { 2273} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 4 and name HB2 )) OR { 2273} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 63 and name HB1 )) OR { 2273} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 31 and name HB2 )) OR { 2273} (( segid " " and resid 87 and name HB )) (( segid " " and resid 85 and name HE2 )) ASSI { 2279} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 29 and name HN )) 3.400 1.400 1.400 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.11900E-02 ppm1 1.371 ppm2 8.222 CV 1 OR { 2279} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) ASSI { 2283} (( segid " " and resid 83 and name HB )) (( segid " " and resid 83 and name HN )) 2.600 0.900 0.900 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.37412E-02 ppm1 1.990 ppm2 7.519 CV 1 OR { 2283} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 57 and name HN )) OR { 2283} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 57 and name HN )) ASSI { 2290} (( segid " " and resid 83 and name HB )) (( segid " " and resid 83 and name HA )) 2.900 1.100 1.100 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 1.989 ppm2 4.429 CV 1 OR { 2290} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) OR { 2290} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HA )) ASSI { 2316} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HA )) 3.300 1.400 1.400 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 2.414 ppm2 3.616 CV 1 OR { 2316} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HA )) OR { 2316} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 130 and name HA )) ASSI { 2321} (( segid " " and resid 109 and name HB )) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.15042E-02 ppm1 1.189 ppm2 5.515 CV 1 OR { 2321} (( segid " " and resid 109 and name HB )) (( segid " " and resid 108 and name HA )) ASSI { 2330} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HN )) 2.900 1.000 1.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.23054E-02 ppm1 1.987 ppm2 8.736 CV 1 OR { 2330} (( segid " " and resid 121 and name HB )) (( segid " " and resid 122 and name HN )) ASSI { 2331} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG2%) 2.000 0.500 0.500 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.20087E-01 ppm1 1.985 ppm2 0.880 CV 1 OR { 2331} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG1%) OR { 2331} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HG1%) OR { 2331} (( segid " " and resid 83 and name HB )) ( segid " " and resid 83 and name HG2%) ASSI { 2335} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 19 and name HD1%) 4.000 2.200 2.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 1.792 ppm2 0.683 CV 1 OR { 2335} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 11 and name HG1%) ASSI { 4582} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 19 and name HD1%) 4.000 2.200 2.000 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 1.524 ppm2 0.683 CV 1 OR { 2335} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 11 and name HG1%) ASSI { 2355} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HB1 )) 1.800 0.200 0.900 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.24898E-01 ppm1 2.839 ppm2 3.137 CV 1 ASSI { 2359} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 57 and name HB% ) 4.900 3.000 1.100 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.96492E-03 ppm1 2.832 ppm2 1.209 CV 1 OR { 2359} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 73 and name HB2 )) ASSI { 2371} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.200 1.200 1.200 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.27645E-02 ppm1 2.885 ppm2 8.411 CV 1 OR { 2371} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 2372} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.23767E-02 ppm1 2.798 ppm2 8.412 CV 1 OR { 2372} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 2374} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 2.839 ppm2 8.314 CV 1 OR { 2374} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) OR { 2374} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 2394} (( segid " " and resid 41 and name HB )) ( segid " " and resid 41 and name HG2%) 2.400 0.700 0.700 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.27940E-02 ppm1 1.861 ppm2 0.891 CV 1 OR { 2394} (( segid " " and resid 41 and name HB )) ( segid " " and resid 33 and name HD1%) ASSI { 2395} (( segid " " and resid 41 and name HB )) ( segid " " and resid 41 and name HD1%) 3.000 1.100 1.100 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.13686E-02 ppm1 1.865 ppm2 0.617 CV 1 OR { 2395} (( segid " " and resid 41 and name HB )) ( segid " " and resid 43 and name HD2%) ASSI { 2399} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.25135E-02 ppm1 2.932 ppm2 8.387 CV 1 OR { 2399} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HN )) ASSI { 2405} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HN )) 3.400 1.400 1.400 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.76888E-03 ppm1 2.952 ppm2 8.795 CV 1 OR { 2405} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 72 and name HN )) OR { 2405} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 136 and name HN )) OR { 2405} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 121 and name HN )) ASSI { 2414} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD22)) 3.800 1.800 1.800 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.22995E-02 ppm1 2.744 ppm2 6.947 CV 1 OR { 2414} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HD22)) OR { 2414} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HN )) ASSI { 2416} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 2.800 1.000 1.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.31278E-02 ppm1 2.749 ppm2 4.801 CV 1 OR { 2416} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) ASSI { 2418} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.900 1.100 1.100 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.28692E-02 ppm1 2.932 ppm2 4.805 CV 1 OR { 2418} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 87 and name HA )) ASSI { 2435} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 89 and name HB1 )) 4.500 2.500 1.500 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.82445E-03 ppm1 3.102 ppm2 2.133 CV 1 OR { 2435} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 72 and name HE1 )) OR { 2435} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 89 and name HB2 )) OR { 2435} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 72 and name HE2 )) ASSI { 2456} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 77 and name HD1%) 3.300 1.400 1.400 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 1.246 ppm2 0.526 CV 1 OR { 2456} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 2456} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 77 and name HD2%) OR { 2456} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 77 and name HD2%) OR { 2456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 77 and name HD1%) OR { 2456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 77 and name HD1%) OR { 2456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 45 and name HG1%) OR { 2456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 45 and name HG1%) OR { 2456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 2456} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 77 and name HD2%) ASSI { 2461} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.48413E-02 ppm1 2.632 ppm2 4.564 CV 1 OR { 2461} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) OR { 2461} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 111 and name HA )) ASSI { 2476} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HN )) 3.000 1.100 1.100 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.31511E-02 ppm1 2.726 ppm2 8.567 CV 1 OR { 2476} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 123 and name HN )) ASSI { 2487} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 11 and name HG1%) 3.000 1.200 1.200 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 2.634 ppm2 0.692 CV 1 OR { 2487} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 123 and name HD2%) OR { 2487} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 123 and name HD1%) OR { 2487} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 19 and name HD1%) ASSI { 2506} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HB1 )) 2.900 1.100 1.100 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.71635E-02 ppm1 2.971 ppm2 1.315 CV 1 OR { 2506} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 26 and name HB1 )) OR { 2506} (( segid " " and resid 26 and name HE2 )) ( segid " " and resid 47 and name HB% ) OR { 2506} (( segid " " and resid 26 and name HE1 )) ( segid " " and resid 47 and name HB% ) OR { 2506} (( segid " " and resid 26 and name HE1 )) ( segid " " and resid 23 and name HG2%) OR { 2506} (( segid " " and resid 26 and name HE2 )) ( segid " " and resid 23 and name HG2%) ASSI { 2510} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.13162E-02 ppm1 2.966 ppm2 7.578 CV 1 OR { 2510} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 26 and name HN )) OR { 2510} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 44 and name HD21)) ASSI { 2513} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 25 and name HD2%) 3.400 1.400 1.400 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 1.625 ppm2 0.662 CV 1 OR { 2513} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 45 and name HG2%) ASSI { 2517} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HB2 )) 3.300 1.300 1.300 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.15119E-02 ppm1 2.906 ppm2 2.100 CV 1 OR { 2517} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HB2 )) OR { 2517} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 48 and name HG1 )) ASSI { 2521} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HA )) 2.900 1.000 1.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 1.487 ppm2 4.248 CV 1 OR { 2521} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HA )) OR { 2521} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HA )) OR { 2521} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 58 and name HA )) OR { 2521} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 138 and name HB )) ASSI { 2526} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 126 and name HN )) 3.200 1.300 1.300 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.17412E-02 ppm1 2.698 ppm2 8.866 CV 1 OR { 2526} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 126 and name HN )) OR { 2526} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HN )) OR { 2526} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HN )) OR { 2526} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 127 and name HN )) OR { 2526} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 127 and name HN )) OR { 2526} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 127 and name HN )) OR { 2526} (( segid " " and resid 126 and name HB1 )) (( segid " " and resid 127 and name HN )) ASSI { 2536} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HD22)) 3.900 1.900 1.900 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 3.044 ppm2 7.099 CV 1 OR { 2536} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 134 and name HE% ) OR { 2536} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 134 and name HE% ) ASSI { 2543} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 2.200 0.600 0.600 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.21374E-02 ppm1 3.757 ppm2 2.679 CV 1 ASSI { 2547} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HA )) 3.300 1.300 1.300 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 2.175 ppm2 5.036 CV 1 OR { 2547} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 105 and name HA )) ASSI { 2549} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.19008E-02 ppm1 1.163 ppm2 7.767 CV 1 OR { 2549} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) ASSI { 2550} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HN )) 3.600 1.600 1.600 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 2.175 ppm2 8.576 CV 1 OR { 2550} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 2556} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HB2 )) 2.100 0.600 0.600 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.20727E-02 ppm1 3.092 ppm2 3.992 CV 1 OR { 2556} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HB1 )) ASSI { 2565} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 3.027 ppm2 4.899 CV 1 OR { 2565} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 61 and name HA )) OR { 2565} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 61 and name HA )) ASSI { 2570} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.400 1.400 1.400 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.10280E-02 ppm1 2.200 ppm2 8.167 CV 1 OR { 2570} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 22 and name HN )) OR { 2570} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HN )) OR { 2570} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HN )) ASSI { 2580} (( segid " " and resid 10 and name HD1 )) ( segid " " and resid 19 and name HD2%) 4.000 2.000 2.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.19155E-02 ppm1 3.067 ppm2 0.721 CV 1 ASSI { 2581} (( segid " " and resid 10 and name HD2 )) ( segid " " and resid 19 and name HD1%) 3.800 1.800 1.100 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.22089E-02 ppm1 2.954 ppm2 0.703 CV 1 OR { 2581} (( segid " " and resid 10 and name HD2 )) ( segid " " and resid 19 and name HD2%) ASSI { 2582} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 64 and name HA1 )) 1.800 0.400 0.400 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.57523E-02 ppm1 3.565 ppm2 4.256 CV 1 OR { 2582} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 26 and name HA )) ASSI { 2589} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 30 and name HA1 )) 2.200 0.400 0.500 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.22603E-02 ppm1 3.574 ppm2 4.563 CV 1 ASSI { 2590} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 116 and name HN )) 2.300 0.600 0.600 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.92582E-02 ppm1 4.204 ppm2 8.574 CV 1 OR { 2590} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 115 and name HN )) ASSI { 2591} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 115 and name HN )) 2.200 0.600 0.600 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.96922E-02 ppm1 4.027 ppm2 8.574 CV 1 OR { 2591} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 116 and name HN )) ASSI { 2592} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 44 and name HD21)) 4.700 2.800 1.300 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.84621E-03 ppm1 3.569 ppm2 7.592 CV 1 OR { 2592} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 66 and name HN )) ASSI { 2624} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 27 and name HB1 )) 4.900 3.000 1.100 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.97032E-03 ppm1 3.567 ppm2 1.886 CV 1 OR { 2624} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HG2 )) OR { 2624} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 26 and name HB2 )) OR { 2624} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 66 and name HB1 )) OR { 2624} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 66 and name HB2 )) ASSI { 2677} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 86 and name HD2%) 2.800 1.000 1.000 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.24134E-02 ppm1 1.621 ppm2 0.656 CV 1 OR { 2677} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 45 and name HG2%) ASSI { 2678} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD2%) 3.200 1.300 1.300 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.27266E-02 ppm1 1.294 ppm2 0.652 CV 1 OR { 2678} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 45 and name HG2%) ASSI { 2679} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 86 and name HD1%) 3.400 1.500 1.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 1.632 ppm2 0.519 CV 1 OR { 2679} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 45 and name HG1%) ASSI { 2682} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD1%) 3.000 1.100 1.100 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.16294E-02 ppm1 1.293 ppm2 0.520 CV 1 OR { 2682} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 45 and name HG1%) ASSI { 2703} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 4.408 ppm2 4.230 CV 1 OR { 2703} (( segid " " and resid 13 and name HA )) (( segid " " and resid 17 and name HA1 )) ASSI { 2726} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.93145E-03 ppm1 4.265 ppm2 8.195 CV 1 ASSI { 2738} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HG1 )) 2.300 0.700 0.700 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.60384E-02 ppm1 3.646 ppm2 2.018 CV 1 OR { 2738} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HG2 )) OR { 2738} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 146 and name HB )) ASSI { 2740} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HG2 )) 2.800 1.000 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.21965E-02 ppm1 4.075 ppm2 2.248 CV 1 OR { 2740} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 94 and name HB2 )) ASSI { 2743} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 146 and name HA )) 2.100 0.500 0.500 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.79322E-02 ppm1 3.647 ppm2 4.387 CV 1 OR { 2743} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HA )) ASSI { 2772} (( segid " " and resid 58 and name HA )) (( segid " " and resid 48 and name HB1 )) 4.400 2.400 1.600 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 4.271 ppm2 1.989 CV 1 OR { 2772} (( segid " " and resid 58 and name HA )) (( segid " " and resid 72 and name HB1 )) OR { 2772} (( segid " " and resid 58 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 2789} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 3.300 1.400 1.400 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.99698E-03 ppm1 5.867 ppm2 1.846 CV 1 OR { 2789} (( segid " " and resid 43 and name HA )) (( segid " " and resid 59 and name HB )) ASSI { 2790} (( segid " " and resid 43 and name HA )) ( segid " " and resid 59 and name HG2%) 4.600 2.700 1.400 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.62126E-03 ppm1 5.865 ppm2 1.154 CV 1 OR { 2790} (( segid " " and resid 43 and name HA )) (( segid " " and resid 73 and name HB2 )) ASSI { 2803} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HN )) 2.400 0.700 0.700 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.56584E-02 ppm1 4.676 ppm2 8.459 CV 1 OR { 2803} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 2816} (( segid " " and resid 10 and name HA )) ( segid " " and resid 19 and name HD1%) 3.700 1.700 1.700 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.16729E-02 ppm1 5.354 ppm2 0.692 CV 1 OR { 2816} (( segid " " and resid 10 and name HA )) ( segid " " and resid 11 and name HG1%) OR { 2816} (( segid " " and resid 10 and name HA )) ( segid " " and resid 19 and name HD2%) ASSI { 2818} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG2 )) 3.300 1.400 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 5.365 ppm2 1.446 CV 1 ASSI { 2836} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HG1 )) 2.800 1.000 1.000 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.18442E-02 ppm1 5.628 ppm2 1.267 CV 1 OR { 2836} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HG2 )) OR { 2836} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HB2 )) ASSI { 2852} (( segid " " and resid 80 and name HA )) (( segid " " and resid 82 and name HN )) 3.300 1.500 1.300 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.20832E-02 ppm1 4.340 ppm2 6.821 CV 1 OR { 2852} (( segid " " and resid 80 and name HA )) ( segid " " and resid 79 and name HD% ) ASSI { 2870} (( segid " " and resid 137 and name HA )) (( segid " " and resid 109 and name HB )) 3.700 1.700 1.700 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.16834E-02 ppm1 5.521 ppm2 1.186 CV 1 OR { 2870} (( segid " " and resid 137 and name HA )) ( segid " " and resid 141 and name HB% ) ASSI { 2882} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) 2.800 1.000 1.000 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.49551E-02 ppm1 4.484 ppm2 1.676 CV 1 OR { 2882} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HD1 )) OR { 2882} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HD1 )) OR { 2882} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HD2 )) OR { 2882} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HD2 )) ASSI { 2891} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.20257E-02 ppm1 4.572 ppm2 6.961 CV 1 OR { 2891} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HN )) ASSI { 2895} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) 2.800 1.000 1.000 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 3.781 ppm2 8.462 CV 1 ASSI { 2916} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) 2.800 1.000 0.700 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.78942E-02 ppm1 4.365 ppm2 1.705 CV 1 OR { 2916} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) OR { 2916} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) OR { 2916} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HD1 )) OR { 2916} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HD2 )) ASSI { 2926} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.700 0.900 0.900 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.98706E-03 ppm1 3.290 ppm2 1.175 CV 1 OR { 2926} (( segid " " and resid 73 and name HA )) ( segid " " and resid 59 and name HG2%) ASSI { 2927} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HD1%) 3.500 1.500 1.500 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.16862E-02 ppm1 3.289 ppm2 0.639 CV 1 OR { 2927} (( segid " " and resid 73 and name HA )) ( segid " " and resid 45 and name HG2%) OR { 2927} (( segid " " and resid 73 and name HA )) ( segid " " and resid 86 and name HD2%) ASSI { 2931} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG1 )) 3.200 1.200 1.200 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 4.379 ppm2 1.278 CV 1 OR { 2931} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG2 )) OR { 2931} (( segid " " and resid 2 and name HA )) ( segid " " and resid 23 and name HG2%) ASSI { 2947} (( segid " " and resid 122 and name HA )) ( segid " " and resid 134 and name HD% ) 2.400 0.700 0.700 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.23978E-02 ppm1 4.023 ppm2 6.638 CV 1 OR { 2947} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HN )) OR { 2947} (( segid " " and resid 122 and name HA )) ( segid " " and resid 122 and name HD% ) ASSI { 2954} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) 3.000 1.100 1.100 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.36334E-02 ppm1 4.014 ppm2 2.251 CV 1 OR { 2954} (( segid " " and resid 122 and name HA )) (( segid " " and resid 134 and name HB1 )) ASSI { 2956} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG1 )) 3.300 1.400 1.400 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.42871E-02 ppm1 3.619 ppm2 2.405 CV 1 OR { 2956} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG2 )) OR { 2956} (( segid " " and resid 127 and name HA )) (( segid " " and resid 130 and name HB2 )) ASSI { 2957} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 3.000 1.100 1.100 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.48451E-02 ppm1 3.580 ppm2 2.377 CV 1 OR { 2957} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG1 )) OR { 2957} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG1 )) OR { 2957} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG2 )) ASSI { 2962} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.900 1.000 1.000 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.18088E-02 ppm1 4.309 ppm2 7.578 CV 1 OR { 2962} (( segid " " and resid 26 and name HA )) (( segid " " and resid 44 and name HD21)) ASSI { 2969} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 3.998 ppm2 8.589 CV 1 OR { 2969} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) OR { 2969} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 4 and name HN )) ASSI { 2982} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 2.600 0.900 0.900 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.21977E-02 ppm1 4.540 ppm2 4.220 CV 1 OR { 2982} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HA )) ASSI { 2991} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HG2%) 2.900 1.000 1.000 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.46104E-02 ppm1 4.508 ppm2 1.229 CV 1 OR { 2991} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2992} (( segid " " and resid 59 and name HA )) ( segid " " and resid 59 and name HG2%) 2.800 1.000 1.000 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.15212E-02 ppm1 4.590 ppm2 1.155 CV 1 OR { 2992} (( segid " " and resid 139 and name HA )) ( segid " " and resid 141 and name HB% ) ASSI { 2994} (( segid " " and resid 59 and name HA )) ( segid " " and resid 43 and name HD1%) 3.300 1.500 1.200 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.33765E-02 ppm1 4.561 ppm2 0.690 CV 1 OR { 2994} (( segid " " and resid 11 and name HA )) ( segid " " and resid 11 and name HG1%) OR { 2994} (( segid " " and resid 59 and name HA )) ( segid " " and resid 61 and name HD1%) ASSI { 2995} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HG2%) 2.700 0.900 0.900 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.27388E-02 ppm1 3.731 ppm2 0.651 CV 1 OR { 2995} (( segid " " and resid 45 and name HA )) ( segid " " and resid 86 and name HD2%) OR { 2995} (( segid " " and resid 45 and name HA )) ( segid " " and resid 25 and name HD2%) ASSI { 2996} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HG1%) 2.900 1.100 1.100 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.19284E-02 ppm1 3.731 ppm2 0.540 CV 1 OR { 2996} (( segid " " and resid 45 and name HA )) ( segid " " and resid 86 and name HD1%) ASSI { 3000} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 3.300 1.400 1.400 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 4.231 ppm2 1.429 CV 1 OR { 3000} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HG2 )) OR { 3000} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HG2 )) ASSI { 3010} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HA )) 2.800 1.000 1.000 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.24987E-02 ppm1 3.769 ppm2 5.382 CV 1 OR { 3010} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 88 and name HA )) ASSI { 3016} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HN )) 3.900 1.900 1.900 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.15701E-02 ppm1 3.767 ppm2 8.824 CV 1 OR { 3016} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 72 and name HN )) ASSI { 3026} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 121 and name HG2%) 3.200 1.300 1.300 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.18968E-02 ppm1 3.769 ppm2 0.887 CV 1 OR { 3026} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 109 and name HG2%) OR { 3026} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 86 and name HG )) OR { 3026} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 121 and name HG1%) OR { 3026} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 86 and name HG )) ASSI { 3027} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 121 and name HG2%) 3.300 1.400 1.400 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.19365E-02 ppm1 3.658 ppm2 0.889 CV 1 OR { 3027} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 109 and name HG2%) ASSI { 3028} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 109 and name HG1%) 4.500 2.500 1.500 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.93654E-03 ppm1 3.774 ppm2 0.580 CV 1 OR { 3028} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 45 and name HG1%) OR { 3028} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 45 and name HG1%) ASSI { 3039} (( segid " " and resid 9 and name HA )) (( segid " " and resid 77 and name HG )) 4.000 2.000 2.000 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 3.662 ppm2 1.322 CV 1 OR { 3039} (( segid " " and resid 9 and name HA )) (( segid " " and resid 77 and name HB1 )) OR { 3039} (( segid " " and resid 9 and name HA )) ( segid " " and resid 23 and name HG2%) OR { 3039} (( segid " " and resid 9 and name HA )) (( segid " " and resid 22 and name HB2 )) OR { 3039} (( segid " " and resid 9 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 3040} (( segid " " and resid 9 and name HA )) ( segid " " and resid 77 and name HD2%) 3.500 1.3500 1.300 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.13037E-02 ppm1 3.665 ppm2 0.513 CV 1 OR { 3040} (( segid " " and resid 9 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 3040} (( segid " " and resid 9 and name HA )) ( segid " " and resid 45 and name HG1%) ASSI { 3045} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.400 0.600 0.500 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.61186E-02 ppm1 5.492 ppm2 8.220 CV 1 OR { 3045} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) ASSI { 3075} (( segid " " and resid 122 and name HA )) ( segid " " and resid 121 and name HG2%) 3.900 1.900 1.900 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.90014E-03 ppm1 4.027 ppm2 0.895 CV 1 OR { 3075} (( segid " " and resid 122 and name HA )) ( segid " " and resid 33 and name HD1%) OR { 3075} (( segid " " and resid 122 and name HA )) ( segid " " and resid 121 and name HG1%) ASSI { 3090} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 2.300 0.700 0.700 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.53586E-02 ppm1 4.014 ppm2 2.108 CV 1 ASSI { 3092} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.700 0.900 0.900 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.11869E-02 ppm1 4.301 ppm2 1.372 CV 1 OR { 3092} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB2 )) ASSI { 3093} (( segid " " and resid 29 and name HA )) (( segid " " and resid 50 and name HG1 )) 4.000 2.000 2.000 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.15333E-02 ppm1 4.426 ppm2 1.453 CV 1 OR { 3093} (( segid " " and resid 29 and name HA )) (( segid " " and resid 50 and name HG2 )) OR { 3093} (( segid " " and resid 29 and name HA )) (( segid " " and resid 27 and name HG2 )) ASSI { 3110} (( segid " " and resid 26 and name HA )) (( segid " " and resid 25 and name HB1 )) 4.000 2.000 2.000 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.80874E-03 ppm1 4.296 ppm2 1.606 CV 1 OR { 3110} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HG1 )) ASSI { 3118} (( segid " " and resid 24 and name HA )) (( segid " " and resid 26 and name HN )) 3.600 1.700 1.700 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.97838E-03 ppm1 4.232 ppm2 7.576 CV 1 OR { 3118} (( segid " " and resid 24 and name HA )) (( segid " " and resid 4 and name HD21)) ASSI { 3119} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 3.000 1.200 1.500 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.25341E-02 ppm1 4.290 ppm2 8.297 CV 1 OR { 3119} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) OR { 3119} (( segid " " and resid 109 and name HA )) (( segid " " and resid 84 and name HN )) OR { 3119} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 3123} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.200 0.600 0.600 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.99641E-02 ppm1 4.228 ppm2 3.995 CV 1 OR { 3123} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB1 )) OR { 3123} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI { 3129} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.20506E-02 ppm1 4.227 ppm2 8.590 CV 1 OR { 3129} (( segid " " and resid 24 and name HA )) (( segid " " and resid 4 and name HN )) ASSI { 3146} (( segid " " and resid 53 and name HA )) ( segid " " and resid 49 and name HB% ) 4.000 2.200 1.500 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.14351E-02 ppm1 4.384 ppm2 1.074 CV 1 OR { 3146} (( segid " " and resid 53 and name HA )) ( segid " " and resid 67 and name HG2%) ASSI { 3148} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB )) 3.500 1.500 1.500 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.72209E-03 ppm1 3.729 ppm2 1.558 CV 1 OR { 3148} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HB1 )) OR { 3148} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HB2 )) ASSI { 3150} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HN )) 3.100 1.200 1.200 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.18866E-02 ppm1 3.891 ppm2 9.185 CV 1 OR { 3150} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 28 and name HN )) OR { 3150} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HN )) ASSI { 3153} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.17304E-02 ppm1 3.980 ppm2 8.288 CV 1 OR { 3153} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 113 and name HN )) OR { 3153} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) OR { 3153} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 38 and name HN )) OR { 3153} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 3155} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HN )) 2.800 1.000 1.000 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.28132E-02 ppm1 3.947 ppm2 8.185 CV 1 OR { 3155} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HN )) OR { 3155} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) ASSI { 3166} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG2 )) 4.100 2.100 1.900 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.21757E-02 ppm1 4.556 ppm2 1.889 CV 1 ASSI { 3172} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 125 and name HN )) 3.300 1.400 1.400 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.38897E-02 ppm1 3.678 ppm2 8.530 CV 1 OR { 3172} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 125 and name HN )) OR { 3172} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 123 and name HN )) ASSI { 3191} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.86397E-02 ppm1 3.938 ppm2 4.436 CV 1 OR { 3191} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) ASSI { 3194} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 109 and name HG2%) 3.400 1.400 1.500 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.28200E-02 ppm1 3.601 ppm2 0.863 CV 1 OR { 3194} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 83 and name HG1%) OR { 3194} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 83 and name HG2%) OR { 3194} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 121 and name HG2%) ASSI { 3204} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 83 and name HG1%) 3.000 1.100 1.100 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 3.713 ppm2 0.864 CV 1 OR { 3204} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 109 and name HG2%) OR { 3204} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 83 and name HG2%) OR { 3204} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 121 and name HG2%) ASSI { 3216} (( segid " " and resid 76 and name HB )) ( segid " " and resid 76 and name HG2%) 2.400 0.700 0.700 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.68645E-02 ppm1 4.038 ppm2 1.217 CV 1 OR { 3216} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) ASSI { 3219} (( segid " " and resid 12 and name HB )) (( segid " " and resid 17 and name HA1 )) 4.300 2.300 1.700 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.11266E-02 ppm1 3.706 ppm2 4.270 CV 1 OR { 3219} (( segid " " and resid 12 and name HB )) (( segid " " and resid 14 and name HA )) OR { 3219} (( segid " " and resid 12 and name HB )) (( segid " " and resid 19 and name HA )) ASSI { 3251} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 44 and name HA )) 3.900 1.900 1.900 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.12277E-02 ppm1 0.679 ppm2 5.210 CV 1 OR { 3251} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 134 and name HA )) ASSI { 3252} (( segid " " and resid 22 and name HG )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 0.873 ppm2 4.361 CV 1 OR { 3252} (( segid " " and resid 22 and name HG )) (( segid " " and resid 25 and name HA )) ASSI { 3253} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 30 and name HN )) 2.800 1.000 0.700 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 1.624 ppm2 7.344 CV 1 OR { 3253} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HN )) ASSI { 3256} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HA )) 3.300 1.400 1.400 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.17858E-02 ppm1 1.584 ppm2 4.217 CV 1 OR { 3256} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HA )) OR { 3256} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 120 and name HA )) ASSI { 3260} (( segid " " and resid 84 and name HG )) ( segid " " and resid 84 and name HD1%) 2.700 0.900 0.900 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.18492E-02 ppm1 1.342 ppm2 0.170 CV 1 OR { 3260} (( segid " " and resid 77 and name HG )) ( segid " " and resid 84 and name HD1%) ASSI { 3273} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 88 and name HB2 )) 5.400 3.600 0.600 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.31882E-03 ppm1 1.730 ppm2 2.981 CV 1 OR { 3273} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 122 and name HB1 )) ASSI { 3275} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 73 and name HD1%) 3.600 1.600 2.400 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.40718E-02 ppm1 1.257 ppm2 0.647 CV 1 OR { 3275} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 45 and name HG2%) ASSI { 3278} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB2 )) 2.400 0.700 0.700 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.41555E-02 ppm1 0.678 ppm2 1.820 CV 1 OR { 3278} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB2 )) OR { 3278} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 134 and name HB2 )) OR { 3278} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 87 and name HB )) OR { 3278} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 87 and name HB )) ASSI { 3279} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 59 and name HG1%) 3.300 1.500 1.500 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.98112E-02 ppm1 0.681 ppm2 0.930 CV 1 OR { 3279} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 121 and name HG1%) ASSI { 3281} (( segid " " and resid 68 and name HG )) (( segid " " and resid 68 and name HB2 )) 2.800 1.000 1.000 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.33846E-02 ppm1 1.064 ppm2 1.280 CV 1 OR { 3281} (( segid " " and resid 68 and name HG )) ( segid " " and resid 70 and name HB% ) ASSI { 3284} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HB1 )) 3.000 1.100 1.100 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.18581E-02 ppm1 0.476 ppm2 1.572 CV 1 OR { 3284} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB1 )) OR { 3284} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 61 and name HG12)) OR { 3284} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 45 and name HB )) ASSI { 3286} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HB1 )) 2.800 1.000 1.000 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.17431E-02 ppm1 0.471 ppm2 1.700 CV 1 OR { 3286} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 61 and name HB )) OR { 3286} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 84 and name HB1 )) ASSI { 3290} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HB2 )) 2.400 0.700 0.700 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.64484E-02 ppm1 0.510 ppm2 1.205 CV 1 OR { 3290} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB2 )) OR { 3290} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 22 and name HB2 )) OR { 3290} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 22 and name HB2 )) OR { 3290} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 141 and name HB% ) OR { 3290} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 141 and name HB% ) OR { 3290} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 78 and name HG2%) ASSI { 3296} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD1%) 2.800 1.000 1.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 1.328 ppm2 0.521 CV 1 OR { 3296} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD2%) OR { 3296} (( segid " " and resid 84 and name HG )) ( segid " " and resid 77 and name HD1%) OR { 3296} (( segid " " and resid 84 and name HG )) ( segid " " and resid 77 and name HD2%) ASSI { 3307} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 31 and name HB1 )) 4.200 2.200 1.800 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.70562E-03 ppm1 0.624 ppm2 2.682 CV 1 OR { 3307} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 122 and name HB2 )) ASSI { 3314} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 86 and name HB1 )) 3.100 1.200 1.200 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.40030E-02 ppm1 0.545 ppm2 1.629 CV 1 OR { 3314} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 25 and name HB1 )) OR { 3314} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 75 and name HB1 )) OR { 3314} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 75 and name HD1 )) OR { 3314} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 26 and name HD1 )) OR { 3314} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 75 and name HD2 )) ASSI { 3316} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HB )) 2.000 0.500 0.500 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.22575E-01 ppm1 0.867 ppm2 1.187 CV 1 OR { 3316} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 85 and name HB1 )) OR { 3316} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 85 and name HB2 )) OR { 3316} ( segid " " and resid 12 and name HG2%) ( segid " " and resid 19 and name HD1%) ASSI { 3321} ( segid " " and resid 12 and name HG2%) ( segid " " and resid 20 and name HE% ) 3.800 1.800 1.600 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.19489E-02 ppm1 0.852 ppm2 6.824 CV 1 OR { 3321} ( segid " " and resid 83 and name HG1%) ( segid " " and resid 108 and name HE% ) OR { 3321} ( segid " " and resid 83 and name HG2%) ( segid " " and resid 108 and name HE% ) OR { 3321} ( segid " " and resid 83 and name HG2%) ( segid " " and resid 82 and name HN ) OR { 3321} ( segid " " and resid 83 and name HG1%) ( segid " " and resid 82 and name HN ) ASSI { 3324} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 59 and name HB )) 2.200 0.600 0.600 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.63776E-02 ppm1 0.951 ppm2 1.873 CV 1 OR { 3324} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 43 and name HB2 )) ASSI { 3326} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 109 and name HG1%) 2.200 0.600 0.600 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.20980E-01 ppm1 0.865 ppm2 0.575 CV 1 ASSI { 3344} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.63175E-03 ppm1 3.632 ppm2 7.580 CV 1 OR { 3344} (( segid " " and resid 23 and name HA )) (( segid " " and resid 4 and name HD21)) ASSI { 3361} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HA )) 2.900 2.900 3.100 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.64982E-03 ppm1 1.686 ppm2 4.567 CV 1 OR { 3361} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) ASSI { 3368} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 29 and name HN )) 2.900 1.100 1.100 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.10163E-02 ppm1 1.620 ppm2 8.210 CV 1 OR { 3368} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HN )) ASSI { 3377} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.41441E-02 ppm1 4.304 ppm2 1.908 CV 1 OR { 3377} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB1 )) ASSI { 3380} (( segid " " and resid 60 and name HA )) ( segid " " and resid 57 and name HB% ) 4.500 2.500 1.500 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.63830E-03 ppm1 5.651 ppm2 1.186 CV 1 OR { 3380} (( segid " " and resid 60 and name HA )) ( segid " " and resid 59 and name HG2%) OR { 3380} (( segid " " and resid 60 and name HA )) ( segid " " and resid 62 and name HG2%) ASSI { 3390} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 42 and name HG2 )) 4.100 2.100 1.900 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.16965E-02 ppm1 3.025 ppm2 2.100 CV 1 OR { 3390} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 127 and name HB1 )) OR { 3390} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 42 and name HG1 )) OR { 3390} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 48 and name HG2 )) OR { 3390} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 48 and name HG1 )) OR { 3390} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 127 and name HB2 )) OR { 3390} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 106 and name HB2 )) ASSI { 3406} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 20 and name HN )) 4.900 3.000 1.100 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.39250E-03 ppm1 1.495 ppm2 9.298 CV 1 OR { 3406} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 139 and name HN )) OR { 3406} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 139 and name HN )) ASSI { 3421} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 50 and name HB1 )) 4.600 2.600 1.400 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.87568E-03 ppm1 3.938 ppm2 1.769 CV 1 ASSI { 3423} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 27 and name HG1 )) 4.000 2.000 2.000 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.15067E-02 ppm1 3.936 ppm2 1.662 CV 1 OR { 3423} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 50 and name HB2 )) OR { 3423} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 50 and name HD1 )) OR { 3423} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 50 and name HD2 )) ASSI { 3427} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 136 and name HZ2 )) 4.500 2.500 1.500 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.51205E-03 ppm1 -0.013 ppm2 7.244 CV 1 OR { 3427} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 47 and name HN )) ASSI { 3429} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 26 and name HA )) 4.000 2.000 2.000 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.53168E-03 ppm1 -0.011 ppm2 4.256 CV 1 OR { 3429} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 138 and name HB )) OR { 3429} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 24 and name HA )) OR { 3429} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 46 and name HA )) OR { 3429} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 47 and name HA )) OR { 3429} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 3430} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 27 and name HG2 )) 4.700 2.800 1.300 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.41753E-03 ppm1 -0.017 ppm2 1.449 CV 1 OR { 3430} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 26 and name HG2 )) OR { 3430} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 140 and name HB2 )) OR { 3430} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 140 and name HB1 )) OR { 3430} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 120 and name HB2 )) ASSI { 3431} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 85 and name HN )) 4.900 2.900 1.100 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.55150E-03 ppm1 0.507 ppm2 9.065 CV 1 OR { 3431} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 85 and name HN )) OR { 3431} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 85 and name HN )) OR { 3431} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 138 and name HN )) OR { 3431} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 134 and name HN )) OR { 3431} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 138 and name HN )) ASSI { 3432} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 0.509 ppm2 9.636 CV 1 OR { 3432} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 108 and name HN )) OR { 3432} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 108 and name HN )) OR { 3432} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 108 and name HN )) ASSI { 3437} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 59 and name HA )) 4.800 2.800 1.200 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.39726E-03 ppm1 0.699 ppm2 4.567 CV 1 OR { 3437} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 70 and name HA )) ASSI { 3440} (( segid " " and resid 12 and name HA )) (( segid " " and resid 19 and name HN )) 4.900 3.000 1.100 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.41377E-03 ppm1 5.499 ppm2 7.848 CV 1 OR { 3440} (( segid " " and resid 12 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 3443} (( segid " " and resid 13 and name HA )) ( segid " " and resid 79 and name HD% ) 3.900 1.900 1.900 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.97363E-03 ppm1 4.391 ppm2 6.823 CV 1 OR { 3443} (( segid " " and resid 13 and name HA )) ( segid " " and resid 20 and name HE% ) ASSI { 3444} (( segid " " and resid 13 and name HA )) ( segid " " and resid 79 and name HD% ) 4.100 2.100 1.900 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.83696E-03 ppm1 4.396 ppm2 6.775 CV 1 OR { 3444} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) OR { 3444} (( segid " " and resid 13 and name HA )) ( segid " " and resid 20 and name HE% ) ASSI { 3455} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 2.900 1.100 1.100 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.49737E-02 ppm1 4.372 ppm2 8.178 CV 1 OR { 3455} (( segid " " and resid 6 and name HA )) (( segid " " and resid 8 and name HN )) OR { 3455} (( segid " " and resid 39 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 3461} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name HA )) 3.000 3.000 3.000 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.46603E-03 ppm1 0.617 ppm2 5.473 CV 1 OR { 3461} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 32 and name HA )) ASSI { 3463} (( segid " " and resid 48 and name HA )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.26680E-02 ppm1 3.786 ppm2 4.255 CV 1 OR { 3463} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HA )) OR { 3463} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HA )) ASSI { 3469} (( segid " " and resid 58 and name HA )) (( segid " " and resid 73 and name HB1 )) 3.700 1.700 1.700 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.41871E-02 ppm1 4.260 ppm2 1.435 CV 1 OR { 3469} (( segid " " and resid 58 and name HA )) (( segid " " and resid 72 and name HG1 )) ASSI { 3483} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HA )) 5.000 3.200 1.000 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.33597E-03 ppm1 2.592 ppm2 4.504 CV 1 OR { 3483} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HA )) OR { 3483} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 72 and name HA )) ASSI { 3492} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 18 and name HA )) 3.900 1.900 1.900 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.29025E-03 ppm1 0.675 ppm2 3.951 CV 1 OR { 3492} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 14 and name HD2 )) OR { 3492} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 46 and name HB2 )) ASSI { 3494} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 46 and name HN )) 4.100 2.100 1.900 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.74088E-03 ppm1 0.636 ppm2 8.286 CV 1 OR { 3494} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 46 and name HN )) ASSI { 3496} (( segid " " and resid 78 and name HB )) (( segid " " and resid 85 and name HN )) 4.700 2.800 1.300 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.48417E-03 ppm1 4.090 ppm2 9.085 CV 1 OR { 3496} (( segid " " and resid 34 and name HB )) (( segid " " and resid 41 and name HN )) ASSI { 3505} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 11 and name HG2%) 4.200 2.200 1.800 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.71003E-03 ppm1 3.058 ppm2 1.275 CV 1 OR { 3505} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 84 and name HG )) OR { 3505} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 84 and name HB2 )) OR { 3505} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 11 and name HG2%) OR { 3505} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 84 and name HG )) ASSI { 3506} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 11 and name HG2%) 4.500 2.500 1.500 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 2.578 ppm2 1.275 CV 1 OR { 3506} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 84 and name HB2 )) OR { 3506} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 84 and name HG )) ASSI { 3507} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 11 and name HG1%) 3.500 1.500 1.500 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.87561E-03 ppm1 3.042 ppm2 0.695 CV 1 OR { 3507} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 11 and name HG1%) OR { 3507} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 19 and name HD1%) ASSI { 3509} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 123 and name HD2%) 3.900 1.900 1.900 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 2.584 ppm2 0.689 CV 1 OR { 3509} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 123 and name HD1%) OR { 3509} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 11 and name HG1%) ASSI { 3511} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 84 and name HD1%) 3.200 1.300 1.300 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.73955E-03 ppm1 3.043 ppm2 0.172 CV 1 OR { 3511} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 84 and name HD1%) ASSI { 3525} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 80 and name HG2 )) 4.800 2.800 1.200 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.70391E-03 ppm1 2.825 ppm2 2.084 CV 1 OR { 3525} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 80 and name HG1 )) OR { 3525} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HB )) OR { 3525} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 6 and name HB2 )) OR { 3525} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HB )) OR { 3525} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 6 and name HB2 )) ASSI { 3535} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 3.000 1.100 1.100 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.10733E-02 ppm1 5.624 ppm2 9.070 CV 1 OR { 3535} (( segid " " and resid 125 and name HA )) (( segid " " and resid 134 and name HN )) ASSI { 3540} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD1%) 3.600 1.600 1.600 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.17975E-02 ppm1 4.664 ppm2 0.500 CV 1 OR { 3540} (( segid " " and resid 86 and name HA )) ( segid " " and resid 87 and name HG1%) ASSI { 3549} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 108 and name HD% ) 4.400 2.400 1.600 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.50193E-03 ppm1 1.616 ppm2 6.735 CV 1 OR { 3549} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 106 and name HD% ) ASSI { 3550} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 108 and name HD% ) 3.800 1.800 1.800 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.49954E-03 ppm1 1.284 ppm2 6.737 CV 1 OR { 3550} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 106 and name HD% ) ASSI { 3558} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 20 and name HB1 )) 4.000 2.000 2.000 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.63324E-03 ppm1 0.492 ppm2 2.984 CV 1 OR { 3558} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 20 and name HB1 )) OR { 3558} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 108 and name HB1 )) OR { 3558} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 108 and name HB1 )) OR { 3558} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 108 and name HB1 )) ASSI { 3562} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 86 and name HD1%) 2.600 0.800 0.800 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.58508E-02 ppm1 0.640 ppm2 0.541 CV 1 OR { 3562} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 45 and name HG1%) ASSI { 3564} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 106 and name HB1 )) 4.800 2.800 1.200 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.52632E-03 ppm1 0.645 ppm2 3.089 CV 1 OR { 3564} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 44 and name HB1 )) OR { 3564} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 46 and name HB1 )) ASSI { 3573} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 103 and name HB2 )) 3.200 1.300 1.300 peak 3573 spectrum 1 weight 0.10000E+01 volume 0.21154E-02 ppm1 0.490 ppm2 1.623 CV 1 OR { 3573} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 85 and name HB1 )) OR { 3573} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 103 and name HB1 )) OR { 3573} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 86 and name HB1 )) ASSI { 3576} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 89 and name HB2 )) 4.600 2.700 1.400 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.80239E-03 ppm1 0.486 ppm2 2.105 CV 1 OR { 3576} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 106 and name HB2 )) ASSI { 3577} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 106 and name HB1 )) 4.500 2.600 1.500 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.91981E-03 ppm1 0.490 ppm2 3.084 CV 1 OR { 3577} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 105 and name HB1 )) ASSI { 3584} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 88 and name HD% ) 3.300 1.400 1.400 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.55363E-03 ppm1 2.991 ppm2 7.118 CV 1 OR { 3584} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 134 and name HE% ) OR { 3584} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 141 and name HN )) ASSI { 3591} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 90 and name HN )) 4.500 2.500 1.500 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.87648E-03 ppm1 2.221 ppm2 9.232 CV 1 OR { 3591} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 88 and name HN )) ASSI { 3601} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 72 and name HB2 )) 3.300 1.300 1.300 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.65538E-03 ppm1 3.104 ppm2 1.968 CV 1 OR { 3601} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 72 and name HB1 )) ASSI { 3610} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 23 and name HB )) 4.400 2.400 1.600 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.79657E-03 ppm1 2.826 ppm2 3.680 CV 1 OR { 3610} (( segid " " and resid 92 and name HB1 )) (( segid " " and resid 93 and name HD1 )) OR { 3610} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 23 and name HB )) OR { 3610} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 93 and name HD1 )) OR { 3610} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 23 and name HA )) ASSI { 3611} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 96 and name HN )) 3.700 1.700 1.700 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.41536E-03 ppm1 2.281 ppm2 7.083 CV 1 OR { 3611} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 97 and name HN )) ASSI { 3628} (( segid " " and resid 96 and name HB )) (( segid " " and resid 128 and name HG1 )) 4.700 2.800 1.300 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.33921E-03 ppm1 4.102 ppm2 2.398 CV 1 OR { 3628} (( segid " " and resid 96 and name HB )) (( segid " " and resid 128 and name HG2 )) OR { 3628} (( segid " " and resid 96 and name HB )) (( segid " " and resid 130 and name HB2 )) OR { 3628} (( segid " " and resid 96 and name HB )) (( segid " " and resid 127 and name HG2 )) OR { 3628} (( segid " " and resid 96 and name HB )) (( segid " " and resid 127 and name HG1 )) OR { 3628} (( segid " " and resid 96 and name HB )) (( segid " " and resid 95 and name HB1 )) ASSI { 3652} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 12 and name HG2%) 4.800 2.900 1.200 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.61916E-03 ppm1 3.172 ppm2 0.866 CV 1 OR { 3652} (( segid " " and resid 110 and name HB1 )) ( segid " " and resid 109 and name HG2%) ASSI { 3653} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 109 and name HG2%) 4.500 2.500 1.500 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.72966E-03 ppm1 2.759 ppm2 0.869 CV 1 OR { 3653} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 140 and name HD1%) ASSI { 3654} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 143 and name HN )) 4.500 2.500 1.500 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.49817E-03 ppm1 3.174 ppm2 8.978 CV 1 ASSI { 3657} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HN )) 4.500 2.500 1.500 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 3.188 ppm2 8.218 CV 1 OR { 3657} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 144 and name HN )) OR { 3657} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 146 and name HN )) OR { 3657} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HN )) OR { 3657} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 52 and name HN )) ASSI { 3661} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 142 and name HA )) 4.500 2.500 1.500 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.92045E-03 ppm1 3.155 ppm2 4.863 CV 1 OR { 3661} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 69 and name HA )) OR { 3661} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 79 and name HA )) OR { 3661} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 142 and name HA )) ASSI { 3665} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 111 and name HD2 )) 4.100 2.100 1.900 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.90528E-03 ppm1 2.631 ppm2 1.690 CV 1 OR { 3665} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 75 and name HB1 )) OR { 3665} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 111 and name HD1 )) OR { 3665} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 75 and name HB1 )) OR { 3665} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 84 and name HB1 )) ASSI { 3666} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 75 and name HD2 )) 4.000 2.000 2.000 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.89858E-03 ppm1 2.623 ppm2 1.618 CV 1 OR { 3666} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 75 and name HD1 )) OR { 3666} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 75 and name HB1 )) OR { 3666} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 75 and name HD2 )) OR { 3666} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 114 and name HB% ) OR { 3666} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 75 and name HB1 )) OR { 3666} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 75 and name HD1 )) ASSI { 3667} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 137 and name HB1 )) 4.600 2.700 1.400 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.71403E-03 ppm1 1.559 ppm2 3.346 CV 1 OR { 3667} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 142 and name HB1 )) ASSI { 3671} (( segid " " and resid 119 and name HA )) (( segid " " and resid 136 and name HE1 )) 4.100 2.100 1.900 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.41460E-03 ppm1 4.372 ppm2 9.805 CV 1 OR { 3671} (( segid " " and resid 114 and name HA )) (( segid " " and resid 136 and name HE1 )) ASSI { 3682} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 33 and name HD1%) 4.400 2.500 1.600 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 1.591 ppm2 0.921 CV 1 OR { 3682} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 33 and name HG2%) OR { 3682} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 121 and name HG1%) OR { 3682} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 121 and name HG2%) ASSI { 3684} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 41 and name HD1%) 4.600 2.700 1.400 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.43415E-03 ppm1 1.433 ppm2 0.614 CV 1 OR { 3684} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 43 and name HD2%) OR { 3684} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 109 and name HG1%) ASSI { 3685} (( segid " " and resid 121 and name HA )) ( segid " " and resid 122 and name HD% ) 4.800 2.800 1.200 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.58044E-03 ppm1 4.301 ppm2 6.631 CV 1 OR { 3685} (( segid " " and resid 121 and name HA )) ( segid " " and resid 134 and name HD% ) ASSI { 3689} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 137 and name HN )) 4.700 2.800 1.300 peak 3689 spectrum 1 weight 0.10000E+01 volume 0.54248E-03 ppm1 0.895 ppm2 9.783 CV 1 OR { 3689} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 137 and name HN )) ASSI { 3690} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.97587E-02 ppm1 0.893 ppm2 4.237 CV 1 OR { 3690} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 148 and name HA )) OR { 3690} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 120 and name HA )) OR { 3690} ( segid " " and resid 146 and name HG1%) (( segid " " and resid 148 and name HA )) OR { 3690} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 123 and name HA )) ASSI { 3698} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HA )) 5.900 4.400 0.100 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.22990E-03 ppm1 2.963 ppm2 4.437 CV 1 OR { 3698} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 83 and name HA )) ASSI { 3700} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HN )) 4.400 2.500 1.600 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.31815E-03 ppm1 2.958 ppm2 9.660 CV 1 ASSI { 3701} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 33 and name HD1%) 3.700 1.700 1.700 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.84758E-03 ppm1 2.956 ppm2 0.898 CV 1 OR { 3701} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 22 and name HG )) OR { 3701} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 83 and name HG1%) OR { 3701} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 41 and name HG2%) OR { 3701} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 83 and name HG2%) ASSI { 3703} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 41 and name HD1%) 4.500 2.500 1.500 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.45663E-03 ppm1 2.958 ppm2 0.621 CV 1 OR { 3703} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 109 and name HG1%) OR { 3703} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 25 and name HD2%) OR { 3703} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 45 and name HG2%) OR { 3703} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 43 and name HD2%) OR { 3703} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 86 and name HD2%) OR { 3703} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 45 and name HG2%) OR { 3703} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 43 and name HD2%) ASSI { 3704} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 41 and name HD1%) 4.200 2.200 1.800 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.54199E-03 ppm1 2.670 ppm2 0.612 CV 1 OR { 3704} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 3705} (( segid " " and resid 108 and name HB1 )) ( segid " " and resid 108 and name HD% ) 3.200 1.300 1.300 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.64119E-03 ppm1 2.969 ppm2 6.727 CV 1 OR { 3705} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 106 and name HD% ) ASSI { 3729} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 123 and name HB2 )) 4.700 2.800 1.300 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.44975E-03 ppm1 3.769 ppm2 1.167 CV 1 OR { 3729} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HG2 )) OR { 3729} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HG2 )) OR { 3729} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 109 and name HB )) OR { 3729} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 59 and name HG2%) OR { 3729} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 59 and name HG2%) OR { 3729} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 141 and name HB% ) ASSI { 3736} (( segid " " and resid 100 and name HG1 )) (( segid " " and resid 97 and name HN )) 4.600 2.600 1.400 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.45348E-03 ppm1 2.512 ppm2 7.068 CV 1 OR { 3736} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HE3 )) ASSI { 3739} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 120 and name HB1 )) 4.800 2.900 1.200 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.25575E-03 ppm1 3.189 ppm2 1.589 CV 1 OR { 3739} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 114 and name HB% ) ASSI { 3742} (( segid " " and resid 137 and name HA )) (( segid " " and resid 141 and name HN )) 5.500 3.800 0.500 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.54214E-03 ppm1 5.524 ppm2 7.089 CV 1 OR { 3742} (( segid " " and resid 108 and name HA )) (( segid " " and resid 141 and name HN )) ASSI { 3760} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 21 and name HB1 )) 4.600 2.700 1.400 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.59585E-03 ppm1 1.451 ppm2 2.899 CV 1 OR { 3760} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 75 and name HE1 )) OR { 3760} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 75 and name HE2 )) ASSI { 3765} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 139 and name HA )) 4.000 2.200 2.000 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.20170E-02 ppm1 0.858 ppm2 4.547 CV 1 OR { 3765} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 11 and name HA )) ASSI { 3776} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 110 and name HB2 )) 4.600 2.600 1.400 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.53556E-03 ppm1 3.351 ppm2 2.750 CV 1 OR { 3776} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 133 and name HB1 )) ASSI { 3780} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 20 and name HE% ) 3.900 1.900 1.900 peak 3780 spectrum 1 weight 0.10000E+01 volume 0.92741E-03 ppm1 1.667 ppm2 6.810 CV 1 OR { 3780} (( segid " " and resid 143 and name HB1 )) ( segid " " and resid 20 and name HE% ) OR { 3780} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 119 and name HE21) ASSI { 3789} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 13 and name HD21)) 4.400 2.400 1.600 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.62795E-03 ppm1 1.882 ppm2 7.275 CV 1 OR { 3789} (( segid " " and resid 59 and name HB )) ( segid " " and resid 125 and name HE% ) OR { 3789} (( segid " " and resid 59 and name HB )) (( segid " " and resid 69 and name HD21)) OR { 3789} (( segid " " and resid 59 and name HB )) (( segid " " and resid 69 and name HD22)) ASSI { 3797} (( segid " " and resid 12 and name HA )) ( segid " " and resid 20 and name HE% ) 5.000 3.100 1.000 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.38063E-03 ppm1 5.488 ppm2 6.820 CV 1 OR { 3797} (( segid " " and resid 12 and name HA )) ( segid " " and resid 79 and name HD% ) ASSI { 3806} (( segid " " and resid 19 and name HA )) (( segid " " and resid 18 and name HA )) 4.500 2.500 1.500 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.54693E-03 ppm1 4.282 ppm2 3.957 CV 1 OR { 3806} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HD2 )) ASSI { 3826} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 20 and name HB2 )) 3.700 1.700 1.700 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.21970E-02 ppm1 1.281 ppm2 2.665 CV 1 OR { 3826} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 9 and name HB1 )) OR { 3826} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 97 and name HB1 )) OR { 3826} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 79 and name HB1 )) ASSI { 3827} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 10 and name HE )) 4.500 2.500 1.500 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.61426E-03 ppm1 1.279 ppm2 6.927 CV 1 OR { 3827} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 10 and name HE )) ASSI { 3840} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HG11)) 3.200 1.200 1.200 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.77211E-03 ppm1 2.209 ppm2 1.411 CV 1 OR { 3840} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HG12)) OR { 3840} (( segid " " and resid 33 and name HB )) (( segid " " and resid 120 and name HG2 )) OR { 3840} (( segid " " and resid 33 and name HB )) (( segid " " and resid 41 and name HG11)) ASSI { 3842} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 41 and name HD1%) 4.400 2.400 1.600 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.91281E-03 ppm1 2.190 ppm2 0.617 CV 1 OR { 3842} (( segid " " and resid 33 and name HB )) ( segid " " and resid 41 and name HD1%) OR { 3842} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 43 and name HD2%) ASSI { 3844} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 86 and name HB1 )) 2.900 1.000 1.000 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.85591E-03 ppm1 2.166 ppm2 1.622 CV 1 OR { 3844} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 85 and name HB1 )) OR { 3844} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 61 and name HG12)) ASSI { 3851} (( segid " " and resid 44 and name HA )) ( segid " " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.31752E-02 ppm1 5.197 ppm2 7.293 CV 1 OR { 3851} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 3855} (( segid " " and resid 44 and name HA )) ( segid " " and resid 45 and name HG2%) 3.800 1.800 1.800 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.13370E-02 ppm1 5.186 ppm2 0.622 CV 1 OR { 3855} (( segid " " and resid 44 and name HA )) ( segid " " and resid 43 and name HD2%) OR { 3855} (( segid " " and resid 44 and name HA )) ( segid " " and resid 25 and name HD2%) ASSI { 3862} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 47 and name HN )) 4.500 2.500 1.500 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.51346E-03 ppm1 3.066 ppm2 7.279 CV 1 OR { 3862} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 47 and name HN )) OR { 3862} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 125 and name HE% ) OR { 3862} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 31 and name HD% ) ASSI { 3884} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.47569E-03 ppm1 4.362 ppm2 8.867 CV 1 OR { 3884} (( segid " " and resid 25 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 3901} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 73 and name HD1%) 4.200 2.200 1.800 peak 3901 spectrum 1 weight 0.10000E+01 volume 0.19130E-02 ppm1 0.261 ppm2 0.640 CV 1 OR { 3901} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 45 and name HG2%) OR { 3901} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 43 and name HD2%) OR { 3901} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 43 and name HD1%) ASSI { 3902} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 72 and name HB1 )) 5.300 3.400 0.700 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.45907E-03 ppm1 0.260 ppm2 1.937 CV 1 OR { 3902} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 72 and name HB2 )) OR { 3902} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 48 and name HB1 )) ASSI { 3903} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 59 and name HG2%) 2.400 0.700 0.700 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.22451E-02 ppm1 0.265 ppm2 1.171 CV 1 OR { 3903} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 73 and name HB2 )) OR { 3903} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 57 and name HB% ) ASSI { 3904} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 88 and name HH )) 4.700 2.800 1.300 peak 3904 spectrum 1 weight 0.10000E+01 volume 0.48858E-03 ppm1 0.270 ppm2 9.230 CV 1 OR { 3904} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 90 and name HN )) OR { 3904} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 88 and name HN )) ASSI { 3908} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 57 and name HB% ) 4.600 2.700 1.400 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.61585E-03 ppm1 2.625 ppm2 1.188 CV 1 OR { 3908} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 59 and name HG2%) OR { 3908} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 62 and name HG2%) ASSI { 3918} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.22137E-02 ppm1 1.174 ppm2 8.993 CV 1 OR { 3918} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 68 and name HN )) ASSI { 3923} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 2.770 ppm2 4.804 CV 1 OR { 3923} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 67 and name HA )) ASSI { 3941} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 76 and name HA )) 4.600 2.700 1.400 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.68246E-03 ppm1 1.203 ppm2 4.518 CV 1 OR { 3941} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 11 and name HA )) ASSI { 3942} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 76 and name HA )) 5.100 3.300 0.900 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.94544E-03 ppm1 1.331 ppm2 4.528 CV 1 OR { 3942} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 11 and name HA )) ASSI { 3953} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 105 and name HN )) 4.300 2.300 1.700 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.42054E-03 ppm1 3.040 ppm2 9.360 CV 1 OR { 3953} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 3954} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 105 and name HA )) 4.100 2.100 1.900 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.23246E-03 ppm1 3.058 ppm2 5.063 CV 1 OR { 3954} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 133 and name HA )) OR { 3954} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 105 and name HA )) OR { 3954} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 104 and name HB1 )) ASSI { 3955} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HA )) 3.800 1.800 1.800 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.31407E-03 ppm1 2.647 ppm2 5.063 CV 1 OR { 3955} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 133 and name HA )) OR { 3955} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 104 and name HB1 )) ASSI { 3960} (( segid " " and resid 107 and name HA )) ( segid " " and resid 108 and name HD% ) 3.000 1.100 1.100 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 5.171 ppm2 6.751 CV 1 OR { 3960} (( segid " " and resid 107 and name HA )) ( segid " " and resid 106 and name HD% ) ASSI { 3969} (( segid " " and resid 110 and name HA )) ( segid " " and resid 141 and name HB% ) 2.800 1.000 1.000 peak 3969 spectrum 1 weight 0.10000E+01 volume 0.24783E-02 ppm1 4.440 ppm2 1.171 CV 1 OR { 3969} (( segid " " and resid 110 and name HA )) (( segid " " and resid 109 and name HB )) ASSI { 3972} (( segid " " and resid 111 and name HA )) (( segid " " and resid 139 and name HB2 )) 3.900 1.900 1.900 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.20032E-02 ppm1 4.567 ppm2 4.238 CV 1 OR { 3972} (( segid " " and resid 74 and name HA )) (( segid " " and resid 46 and name HA )) OR { 3972} (( segid " " and resid 74 and name HA )) (( segid " " and resid 47 and name HA )) OR { 3972} (( segid " " and resid 111 and name HA )) (( segid " " and resid 115 and name HA1 )) ASSI { 3975} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 3975 spectrum 1 weight 0.10000E+01 volume 0.32338E-02 ppm1 4.575 ppm2 1.705 CV 1 OR { 3975} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) OR { 3975} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HD1 )) OR { 3975} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HD2 )) ASSI { 3976} (( segid " " and resid 111 and name HA )) ( segid " " and resid 109 and name HG1%) 5.400 3.700 0.600 peak 3976 spectrum 1 weight 0.10000E+01 volume 0.59303E-03 ppm1 4.576 ppm2 0.662 CV 1 OR { 3976} (( segid " " and resid 72 and name HA )) ( segid " " and resid 73 and name HD1%) ASSI { 3979} (( segid " " and resid 24 and name HA )) (( segid " " and resid 140 and name HG )) 5.000 3.200 1.000 peak 3979 spectrum 1 weight 0.10000E+01 volume 0.56804E-03 ppm1 4.240 ppm2 1.288 CV 1 OR { 3979} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HB2 )) OR { 3979} (( segid " " and resid 24 and name HA )) ( segid " " and resid 23 and name HG2%) ASSI { 3983} (( segid " " and resid 85 and name HA )) ( segid " " and resid 108 and name HD% ) 3.400 1.500 1.500 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.50505E-03 ppm1 5.621 ppm2 6.729 CV 1 OR { 3983} (( segid " " and resid 85 and name HA )) ( segid " " and resid 105 and name HE% ) OR { 3983} (( segid " " and resid 85 and name HA )) ( segid " " and resid 106 and name HD% ) ASSI { 3991} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name HN )) 2.300 0.600 0.600 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.40015E-02 ppm1 4.721 ppm2 8.870 CV 1 OR { 3991} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HN )) ASSI { 4001} (( segid " " and resid 132 and name HA )) (( segid " " and resid 125 and name HN )) 4.000 2.200 2.000 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 5.225 ppm2 8.522 CV 1 ASSI { 4020} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 29 and name HN )) 5.200 3.400 0.800 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.51392E-03 ppm1 2.490 ppm2 8.224 CV 1 OR { 4020} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HN )) ASSI { 4026} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 41 and name HD1%) 1.900 0.400 0.400 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.13961E-01 ppm1 0.867 ppm2 0.615 CV 1 OR { 4026} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 43 and name HD2%) ASSI { 4029} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 59 and name HA )) 4.800 2.900 1.200 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.85556E-03 ppm1 0.869 ppm2 4.601 CV 1 OR { 4029} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 40 and name HA )) ASSI { 4046} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HN )) 4.700 2.800 1.300 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.69760E-03 ppm1 0.435 ppm2 8.311 CV 1 OR { 4046} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 109 and name HN )) ASSI { 4051} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 114 and name HN )) 2.700 2.700 3.300 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.91281E-03 ppm1 2.436 ppm2 7.679 CV 1 OR { 4051} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 114 and name HN )) OR { 4051} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 107 and name HN )) ASSI { 4075} (( segid " " and resid 2 and name HE2 )) (( segid " " and resid 2 and name HD1 )) 1.800 0.400 0.400 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.29585E-01 ppm1 2.971 ppm2 1.678 CV 1 OR { 4075} (( segid " " and resid 2 and name HE1 )) (( segid " " and resid 2 and name HD2 )) OR { 4075} (( segid " " and resid 50 and name HE2 )) (( segid " " and resid 50 and name HD2 )) OR { 4075} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HD1 )) OR { 4075} (( segid " " and resid 99 and name HE1 )) (( segid " " and resid 99 and name HD1 )) OR { 4075} (( segid " " and resid 99 and name HE1 )) (( segid " " and resid 99 and name HD2 )) OR { 4075} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HD2 )) OR { 4075} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HD1 )) OR { 4075} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HD2 )) OR { 4075} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HD1 )) OR { 4075} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 26 and name HD1 )) OR { 4075} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HD2 )) OR { 4075} (( segid " " and resid 50 and name HE2 )) (( segid " " and resid 50 and name HD1 )) OR { 4075} (( segid " " and resid 2 and name HE2 )) (( segid " " and resid 2 and name HD2 )) OR { 4075} (( segid " " and resid 2 and name HE1 )) (( segid " " and resid 2 and name HD1 )) ASSI { 4077} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HG2 )) 2.300 2.300 3.700 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.24461E-02 ppm1 2.891 ppm2 1.394 CV 1 OR { 4077} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HG2 )) OR { 4077} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HG1 )) OR { 4077} (( segid " " and resid 50 and name HE2 )) (( segid " " and resid 50 and name HG2 )) OR { 4077} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 26 and name HG2 )) OR { 4077} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 26 and name HG1 )) OR { 4077} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HG2 )) OR { 4077} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HG1 )) ASSI { 4090} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HN )) 4.700 2.800 1.300 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.53849E-03 ppm1 1.323 ppm2 9.073 CV 1 OR { 4090} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 138 and name HN )) ASSI { 4101} (( segid " " and resid 49 and name HA )) (( segid " " and resid 44 and name HD22)) 4.500 2.600 1.500 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.71125E-03 ppm1 4.248 ppm2 7.072 CV 1 OR { 4101} (( segid " " and resid 47 and name HA )) (( segid " " and resid 44 and name HD22)) ASSI { 4106} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HG2 )) 3.600 1.600 1.600 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.12223E-02 ppm1 4.381 ppm2 2.260 CV 1 ASSI { 4123} (( segid " " and resid 131 and name HB )) (( segid " " and resid 126 and name HB2 )) 4.200 2.200 1.800 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.91943E-03 ppm1 3.501 ppm2 2.701 CV 1 OR { 4123} (( segid " " and resid 131 and name HB )) (( segid " " and resid 126 and name HB1 )) OR { 4123} (( segid " " and resid 131 and name HB )) (( segid " " and resid 133 and name HB1 )) ASSI { 4159} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HB1 )) 2.600 0.800 0.800 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.23430E-02 ppm1 0.434 ppm2 1.729 CV 1 OR { 4159} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 61 and name HB )) ASSI { 4161} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 20 and name HB2 )) 3.800 1.800 1.400 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.18255E-02 ppm1 0.433 ppm2 2.640 CV 1 OR { 4161} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 69 and name HB1 )) ASSI { 4162} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 83 and name HA )) 5.300 3.500 0.700 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.48672E-03 ppm1 0.434 ppm2 4.428 CV 1 ASSI { 4167} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 79 and name HA )) 4.300 2.300 1.700 peak 4167 spectrum 1 weight 0.10000E+01 volume 0.41285E-03 ppm1 0.437 ppm2 4.912 CV 1 OR { 4167} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 142 and name HA )) OR { 4167} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 92 and name HA )) ASSI { 4168} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 20 and name HA )) 3.700 1.700 1.700 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.46702E-03 ppm1 0.436 ppm2 4.744 CV 1 OR { 4168} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 78 and name HA )) OR { 4168} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 126 and name HA )) ASSI { 4171} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 20 and name HN )) 3.700 3.700 2.300 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.44058E-03 ppm1 0.434 ppm2 9.304 CV 1 OR { 4171} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 139 and name HN )) OR { 4171} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 105 and name HN )) ASSI { 4172} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 85 and name HN )) 4.400 2.400 1.600 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.66690E-03 ppm1 0.435 ppm2 9.067 CV 1 OR { 4172} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 138 and name HN )) ASSI { 4173} (( segid " " and resid 84 and name HG )) (( segid " " and resid 84 and name HN )) 3.800 1.800 1.800 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 1.335 ppm2 8.306 CV 1 OR { 4173} (( segid " " and resid 84 and name HG )) (( segid " " and resid 109 and name HN )) OR { 4173} (( segid " " and resid 77 and name HG )) (( segid " " and resid 84 and name HN )) ASSI { 4174} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HN )) 3.800 1.800 1.800 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.84274E-03 ppm1 1.338 ppm2 8.889 CV 1 OR { 4174} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 42 and name HN )) OR { 4174} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 42 and name HN )) ASSI { 4175} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.73076E-03 ppm1 1.337 ppm2 5.038 CV 1 OR { 4175} (( segid " " and resid 84 and name HG )) (( segid " " and resid 77 and name HA )) ASSI { 4179} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HB2 )) 3.000 1.100 1.100 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.38938E-02 ppm1 0.643 ppm2 1.300 CV 1 OR { 4179} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 47 and name HB% ) ASSI { 4180} (( segid " " and resid 39 and name HG1 )) (( segid " " and resid 40 and name HA )) 4.400 2.400 1.600 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.57375E-03 ppm1 1.274 ppm2 4.569 CV 1 OR { 4180} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 40 and name HA )) ASSI { 4555} (( segid " " and resid 39 and name HG1 )) (( segid " " and resid 36 and name HB1 )) 4.400 2.400 1.600 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.57375E-03 ppm1 1.274 ppm2 4.569 CV 1 OR { 4555} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 4189} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 3.102 ppm2 4.303 CV 1 OR { 4189} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 26 and name HA )) OR { 4189} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 6 and name HA )) ASSI { 4191} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) 3.600 1.600 1.600 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.58999E-03 ppm1 3.994 ppm2 4.298 CV 1 OR { 4191} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 26 and name HA )) ASSI { 4193} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 47 and name HB% ) 3.700 1.700 1.700 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.74503E-03 ppm1 3.989 ppm2 1.230 CV 1 OR { 4193} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 22 and name HB2 )) OR { 4193} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 75 and name HG1 )) OR { 4193} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 22 and name HB1 )) ASSI { 4210} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 25 and name HD1%) 3.200 1.300 1.300 peak 4210 spectrum 1 weight 0.10000E+01 volume 0.14102E-02 ppm1 1.624 ppm2 -0.008 CV 1 OR { 4210} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 22 and name HD1%) ASSI { 4213} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 21 and name HN )) 4.400 2.500 1.600 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.90121E-03 ppm1 -0.015 ppm2 8.571 CV 1 OR { 4213} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 24 and name HN )) ASSI { 4214} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 86 and name HN )) 4.300 2.300 1.700 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.10300E-02 ppm1 -0.019 ppm2 8.505 CV 1 OR { 4214} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 45 and name HN )) OR { 4214} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 6 and name HN )) OR { 4214} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 3 and name HN )) ASSI { 4215} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 23 and name HN )) 5.800 4.200 0.200 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.33091E-03 ppm1 -0.016 ppm2 8.864 CV 1 OR { 4215} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 77 and name HN )) OR { 4215} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 136 and name HN )) ASSI { 4217} (( segid " " and resid 41 and name HG12)) ( segid " " and resid 41 and name HD1%) 2.500 0.800 0.800 peak 4217 spectrum 1 weight 0.10000E+01 volume 0.26188E-02 ppm1 1.407 ppm2 0.619 CV 1 OR { 4217} (( segid " " and resid 41 and name HG11)) ( segid " " and resid 41 and name HD1%) OR { 4217} (( segid " " and resid 33 and name HG11)) ( segid " " and resid 41 and name HD1%) OR { 4217} (( segid " " and resid 33 and name HG12)) ( segid " " and resid 41 and name HD1%) OR { 4217} (( segid " " and resid 41 and name HG12)) ( segid " " and resid 43 and name HD2%) OR { 4217} (( segid " " and resid 41 and name HG11)) ( segid " " and resid 43 and name HD2%) ASSI { 4223} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.43514E-03 ppm1 1.395 ppm2 9.349 CV 1 OR { 4223} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 33 and name HN )) OR { 4223} (( segid " " and resid 41 and name HG11)) (( segid " " and resid 33 and name HN )) OR { 4223} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 33 and name HN )) OR { 4223} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 43 and name HN )) ASSI { 4227} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 32 and name HA )) 4.500 2.600 1.500 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.44899E-03 ppm1 1.398 ppm2 5.485 CV 1 OR { 4227} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 34 and name HA )) OR { 4227} (( segid " " and resid 41 and name HG11)) (( segid " " and resid 34 and name HA )) OR { 4227} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 32 and name HA )) OR { 4227} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 34 and name HA )) OR { 4227} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 42 and name HA )) OR { 4227} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 42 and name HA )) OR { 4227} (( segid " " and resid 41 and name HG11)) (( segid " " and resid 32 and name HA )) OR { 4227} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 32 and name HA )) ASSI { 4229} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HN )) 3.400 1.500 1.500 peak 4229 spectrum 1 weight 0.10000E+01 volume 0.90608E-03 ppm1 0.962 ppm2 8.721 CV 1 OR { 4229} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 121 and name HN )) ASSI { 4232} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HN )) 4.000 2.200 1.600 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.82825E-03 ppm1 3.043 ppm2 8.155 CV 1 OR { 4232} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) OR { 4232} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 27 and name HN )) ASSI { 4235} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HA )) 4.200 2.400 1.600 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.18011E-02 ppm1 3.957 ppm2 4.780 CV 1 OR { 4235} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HA )) OR { 4235} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 31 and name HA )) OR { 4235} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 67 and name HA )) ASSI { 4237} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) 3.300 1.500 1.000 peak 4237 spectrum 1 weight 0.10000E+01 volume 0.25161E-02 ppm1 3.963 ppm2 8.156 CV 1 OR { 4237} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HN )) OR { 4237} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) ASSI { 4238} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HA )) 2.800 1.000 1.000 peak 4238 spectrum 1 weight 0.10000E+01 volume 0.28392E-02 ppm1 1.763 ppm2 4.475 CV 1 ASSI { 4239} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 4239 spectrum 1 weight 0.10000E+01 volume 0.25011E-02 ppm1 1.686 ppm2 4.469 CV 1 ASSI { 4241} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 59 and name HG2%) 3.900 1.900 1.900 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.35160E-02 ppm1 0.866 ppm2 1.162 CV 1 OR { 4241} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 62 and name HG2%) ASSI { 4242} (( segid " " and resid 41 and name HG11)) (( segid " " and resid 41 and name HN )) 3.300 1.300 1.300 peak 4242 spectrum 1 weight 0.10000E+01 volume 0.78569E-03 ppm1 1.396 ppm2 9.091 CV 1 OR { 4242} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 41 and name HN )) OR { 4242} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 41 and name HN )) OR { 4242} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 89 and name HN )) OR { 4242} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 41 and name HN )) ASSI { 4255} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.68033E-03 ppm1 2.348 ppm2 4.251 CV 1 OR { 4255} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 4260} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 45 and name HN )) 4.600 2.700 1.400 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.51068E-03 ppm1 2.329 ppm2 8.477 CV 1 OR { 4260} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 50 and name HN )) OR { 4260} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 48 and name HN )) ASSI { 4267} (( segid " " and resid 45 and name HA )) ( segid " " and resid 106 and name HD% ) 4.800 2.900 1.200 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.62415E-03 ppm1 3.740 ppm2 6.703 CV 1 OR { 4267} (( segid " " and resid 45 and name HA )) ( segid " " and resid 88 and name HE% ) ASSI { 4271} (( segid " " and resid 45 and name HB )) (( segid " " and resid 26 and name HA )) 4.300 2.300 1.700 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.78550E-03 ppm1 1.548 ppm2 4.302 CV 1 OR { 4271} (( segid " " and resid 45 and name HB )) (( segid " " and resid 46 and name HA )) OR { 4271} (( segid " " and resid 45 and name HB )) (( segid " " and resid 49 and name HA )) ASSI { 4272} (( segid " " and resid 45 and name HB )) (( segid " " and resid 26 and name HN )) 4.600 2.700 1.400 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.41867E-03 ppm1 1.558 ppm2 7.587 CV 1 OR { 4272} (( segid " " and resid 45 and name HB )) (( segid " " and resid 44 and name HD21)) ASSI { 4275} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 46 and name HN )) 4.800 2.800 1.200 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 0.639 ppm2 8.265 CV 1 OR { 4275} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 13 and name HN )) OR { 4275} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 13 and name HN )) OR { 4275} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 22 and name HN )) OR { 4275} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 27 and name HN )) ASSI { 4276} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 31 and name HN )) 3.000 3.000 3.000 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 0.636 ppm2 9.222 CV 1 OR { 4276} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 88 and name HN )) ASSI { 4278} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 45 and name HB )) 2.100 0.600 0.600 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.62867E-02 ppm1 0.644 ppm2 1.555 CV 1 OR { 4278} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HB2 )) ASSI { 4279} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 45 and name HG1%) 2.800 1.000 0.600 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.11580E-01 ppm1 0.644 ppm2 0.543 CV 1 OR { 4279} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 86 and name HD1%) OR { 4279} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 86 and name HB1 ) ASSI { 4286} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HA )) 3.700 1.700 1.700 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.42807E-03 ppm1 1.683 ppm2 4.949 CV 1 OR { 4286} (( segid " " and resid 61 and name HB )) (( segid " " and resid 62 and name HA )) ASSI { 4294} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 130 and name HN )) 5.000 3.200 1.000 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.56972E-03 ppm1 0.323 ppm2 7.770 CV 1 OR { 4294} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 132 and name HN )) OR { 4294} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 102 and name HE1 )) OR { 4294} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 130 and name HN )) ASSI { 4295} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 61 and name HN )) 4.700 2.700 1.300 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.37041E-03 ppm1 0.470 ppm2 9.771 CV 1 OR { 4295} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 60 and name HN )) ASSI { 4316} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HN )) 4.000 2.200 2.000 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.98044E-03 ppm1 2.003 ppm2 8.440 CV 1 OR { 4316} (( segid " " and resid 83 and name HB )) (( segid " " and resid 80 and name HN )) OR { 4316} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 71 and name HN )) OR { 4316} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 98 and name HN )) OR { 4316} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 71 and name HN )) ASSI { 4317} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HB1 )) 4.500 2.500 1.500 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.94537E-03 ppm1 0.861 ppm2 3.178 CV 1 OR { 4317} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name HB1 )) ASSI { 4318} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 85 and name HE2 )) 2.800 1.000 1.000 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.40159E-02 ppm1 0.861 ppm2 2.766 CV 1 OR { 4318} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 85 and name HE2 )) OR { 4318} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name HB2 )) ASSI { 4321} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 20 and name HA )) 3.700 1.700 1.700 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.52187E-03 ppm1 0.170 ppm2 4.741 CV 1 OR { 4321} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 78 and name HA )) ASSI { 4325} (( segid " " and resid 98 and name HD1%)) (( segid " " and resid 96 and name HA )) 4.000 2.200 1.000 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.50041E-03 ppm1 0.872 ppm2 4.076 CV 1 ASSI { 4328} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) 3.600 1.600 1.600 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.49353E-03 ppm1 2.419 ppm2 5.484 CV 1 OR { 4328} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 137 and name HA )) ASSI { 4337} (( segid " " and resid 132 and name HA )) ( segid " " and resid 133 and name HD% ) 4.000 2.200 2.000 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.90973E-03 ppm1 5.221 ppm2 6.917 CV 1 OR { 4337} (( segid " " and resid 138 and name HA )) (( segid " " and resid 136 and name HD1 )) ASSI { 4343} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 141 and name HA )) 3.900 1.900 1.900 peak 4343 spectrum 1 weight 0.10000E+01 volume 0.13648E-02 ppm1 1.103 ppm2 4.547 CV 1 OR { 4343} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HA )) ASSI { 4346} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 4 and name HA )) 3.900 1.900 1.900 peak 4346 spectrum 1 weight 0.10000E+01 volume 0.14589E-02 ppm1 0.924 ppm2 4.796 CV 1 ASSI { 4347} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 136 and name HD1 )) 4.500 2.600 1.500 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.70958E-03 ppm1 0.924 ppm2 6.929 CV 1 OR { 4347} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 4 and name HD22)) OR { 4347} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 136 and name HD1 )) OR { 4347} ( segid " " and resid 121 and name HG1%) ( segid " " and resid 133 and name HD% ) ASSI { 4351} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB1 )) 2.900 1.000 1.000 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.45001E-02 ppm1 0.862 ppm2 1.475 CV 1 OR { 4351} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) OR { 4351} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 85 and name HD1 )) OR { 4351} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 85 and name HD2 )) OR { 4351} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 85 and name HD1 )) OR { 4351} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 85 and name HD2 )) ASSI { 4353} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 43 and name HA )) 5.000 3.200 1.000 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.48391E-03 ppm1 0.954 ppm2 5.864 CV 1 OR { 4353} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 104 and name HA )) ASSI { 4354} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 20 and name HB2 )) 3.300 1.500 2.700 peak 4354 spectrum 1 weight 0.11000E+01 volume 0.72494E-03 ppm1 0.682 ppm2 2.721 CV 1 OR { 4354} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 133 and name HB2 )) ASSI { 4364} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.38710E-02 ppm1 2.123 ppm2 4.339 CV 1 OR { 4364} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 26 and name HA )) ASSI { 4380} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HD1 )) 3.300 1.500 1.000 peak 4380 spectrum 1 weight 0.10000E+01 volume 0.21664E-02 ppm1 2.147 ppm2 4.395 CV 1 OR { 4380} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 13 and name HA )) OR { 4380} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 13 and name HA )) ASSI { 4381} (( segid " " and resid 128 and name HB1 )) ( segid " " and resid 96 and name HG2%) 5.200 3.300 0.800 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.51669E-03 ppm1 2.249 ppm2 1.261 CV 1 OR { 4381} (( segid " " and resid 95 and name HG2 )) ( segid " " and resid 96 and name HG2%) ASSI { 4393} (( segid " " and resid 14 and name HG1 )) ( segid " " and resid 79 and name HD% ) 4.500 2.600 1.500 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.57306E-03 ppm1 2.149 ppm2 6.785 CV 1 OR { 4393} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 79 and name HD% ) OR { 4393} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 16 and name HN )) OR { 4393} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 16 and name HN )) OR { 4393} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 20 and name HE% ) ASSI { 4396} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HB1 )) 2.200 0.600 0.600 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.81547E-02 ppm1 2.158 ppm2 2.382 CV 1 OR { 4396} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HB1 )) OR { 4396} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HB1 )) ASSI { 4422} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 6 and name HB2 )) 2.800 1.000 1.000 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.47961E-02 ppm1 1.698 ppm2 2.100 CV 1 OR { 4422} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 6 and name HB2 )) OR { 4422} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 75 and name HB2 )) OR { 4422} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 75 and name HB2 )) OR { 4422} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 48 and name HG1 )) ASSI { 4433} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 119 and name HE21)) 4.000 2.200 1.000 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.58562E-03 ppm1 1.619 ppm2 6.840 CV 1 OR { 4433} (( segid " " and resid 10 and name HG1 )) ( segid " " and resid 10 and name HE ) ASSI { 4435} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HA )) 4.000 2.200 1.000 peak 4435 spectrum 1 weight 0.10000E+01 volume 0.36790E-03 ppm1 1.623 ppm2 5.356 CV 1 OR { 4435} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 88 and name HA )) ASSI { 4456} (( segid " " and resid 85 and name HD1 )) ( segid " " and resid 105 and name HD% ) 4.200 2.200 1.800 peak 4456 spectrum 1 weight 0.10000E+01 volume 0.34142E-03 ppm1 1.465 ppm2 6.958 CV 1 OR { 4456} (( segid " " and resid 85 and name HD2 )) ( segid " " and resid 105 and name HD% ) OR { 4456} (( segid " " and resid 85 and name HD1 )) ( segid " " and resid 133 and name HD% ) ASSI { 4458} (( segid " " and resid 85 and name HD2 )) ( segid " " and resid 105 and name HE% ) 4.100 2.100 1.900 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.46747E-03 ppm1 1.462 ppm2 6.737 CV 1 OR { 4458} (( segid " " and resid 85 and name HD1 )) ( segid " " and resid 105 and name HE% ) OR { 4458} (( segid " " and resid 85 and name HD1 )) ( segid " " and resid 108 and name HD% ) OR { 4458} (( segid " " and resid 85 and name HD2 )) ( segid " " and resid 108 and name HD% ) ASSI { 4462} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 55 and name HD21)) 5.300 3.500 0.700 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.42655E-03 ppm1 1.800 ppm2 6.961 CV 1 OR { 4462} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 74 and name HN )) ASSI { 4465} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 143 and name HA )) 4.400 2.400 1.600 peak 4465 spectrum 1 weight 0.10000E+01 volume 0.77903E-03 ppm1 2.004 ppm2 3.642 CV 1 OR { 4465} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 147 and name HD2 )) OR { 4465} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 147 and name HD2 )) ASSI { 4466} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 56 and name HA1 )) 4.500 2.500 1.500 peak 4466 spectrum 1 weight 0.10000E+01 volume 0.70916E-03 ppm1 1.892 ppm2 3.644 CV 1 ASSI { 4468} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HG2 )) 3.200 1.300 1.300 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.20949E-02 ppm1 1.082 ppm2 2.408 CV 1 OR { 4468} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 130 and name HB2 )) ASSI { 4471} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 126 and name HB2 )) 3.900 1.900 1.700 peak 4471 spectrum 1 weight 0.10000E+01 volume 0.80212E-03 ppm1 1.088 ppm2 2.711 CV 1 OR { 4471} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 126 and name HB1 )) OR { 4471} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 130 and name HB1 )) ASSI { 4475} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 86 and name HN )) 3.900 1.900 1.900 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.81562E-03 ppm1 0.490 ppm2 8.496 CV 1 OR { 4475} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 103 and name HN )) ASSI { 4477} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 33 and name HN )) 5.600 3.900 0.400 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.31752E-03 ppm1 0.611 ppm2 9.345 CV 1 OR { 4477} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 43 and name HN )) ASSI { 4481} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 52 and name HN )) 4.000 2.200 2.000 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.73240E-03 ppm1 1.080 ppm2 9.108 CV 1 ASSI { 4484} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 108 and name HZ ) 5.000 3.200 1.000 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.68113E-03 ppm1 0.677 ppm2 6.805 CV 1 OR { 4484} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 10 and name HE ) OR { 4484} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 88 and name HE% ) ASSI { 4485} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HD1 )) 2.800 2.300 3.700 peak 4485 spectrum 1 weight 0.10000E+01 volume 0.34219E-02 ppm1 0.676 ppm2 3.069 CV 1 OR { 4485} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 20 and name HB1 )) OR { 4485} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 21 and name HB1 )) ASSI { 4495} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 34 and name HG2%) 4.300 2.300 1.700 peak 4495 spectrum 1 weight 0.10000E+01 volume 0.81893E-03 ppm1 0.604 ppm2 1.181 CV 1 OR { 4495} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG1%)) ASSI { 4496} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 122 and name HN )) 4.400 2.400 1.600 peak 4496 spectrum 1 weight 0.10000E+01 volume 0.69045E-03 ppm1 0.609 ppm2 8.797 CV 1 OR { 4496} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 133 and name HN )) ASSI { 4499} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 106 and name HE% ) 3.200 1.300 1.300 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.11382E-02 ppm1 0.673 ppm2 6.290 CV 1 OR { 4499} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 133 and name HE% ) ASSI { 4507} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 40 and name HE2 )) 3.500 1.500 1.500 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 1.169 ppm2 2.869 CV 1 OR { 4507} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 40 and name HE1 )) OR { 4507} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 122 and name HB2 )) ASSI { 4520} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 14 and name HD2 )) 3.800 1.800 1.800 peak 4520 spectrum 1 weight 0.10000E+01 volume 0.97667E-03 ppm1 1.534 ppm2 3.951 CV 1 OR { 4520} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 18 and name HA )) ASSI { 4525} (( segid " " and resid 96 and name HB )) (( segid " " and resid 97 and name HB1 )) 5.000 3.5200 1.000 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.47687E-03 ppm1 4.106 ppm2 2.703 CV 1 OR { 4525} (( segid " " and resid 96 and name HB )) (( segid " " and resid 130 and name HB1 )) ASSI { 571} (( segid " " and resid 41 and name HN )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.52449E-03 ppm1 9.110 ppm2 9.350 CV 1 OR { 571} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 573} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB )) 2.900 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.87698E-03 ppm1 9.101 ppm2 1.884 CV 1 OR { 573} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 574} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB )) 3.100 1.200 1.200 peak 574 spectrum 1 weight 0.10000E+01 volume 0.71699E-03 ppm1 9.093 ppm2 1.828 CV 1 OR { 574} (( segid " " and resid 137 and name HN )) (( segid " " and resid 111 and name HB2 )) OR { 574} (( segid " " and resid 137 and name HN )) (( segid " " and resid 111 and name HB1 )) ASSI { 585} (( segid " " and resid 60 and name HN )) (( segid " " and resid 43 and name HB2 )) 4.600 2.600 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.51787E-03 ppm1 9.771 ppm2 1.867 CV 1 OR { 585} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB )) OR { 585} (( segid " " and resid 60 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 587} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HG2%) 4.300 2.300 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 9.762 ppm2 1.166 CV 1 OR { 587} (( segid " " and resid 60 and name HN )) ( segid " " and resid 57 and name HB% ) ASSI { 588} (( segid " " and resid 60 and name HN )) ( segid " " and resid 49 and name HB% ) 4.300 2.300 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.60695E-03 ppm1 9.759 ppm2 1.046 CV 1 OR { 588} (( segid " " and resid 60 and name HN )) ( segid " " and resid 67 and name HG2%) OR { 588} (( segid " " and resid 60 and name HN )) (( segid " " and resid 68 and name HG )) ASSI { 850} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB )) 2.900 1.000 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.20644E-02 ppm1 6.744 ppm2 4.287 CV 1 OR { 850} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) OR { 850} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 852} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HD2 )) 4.800 2.900 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.35957E-03 ppm1 6.742 ppm2 3.961 CV 1 OR { 852} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 864} (( segid " " and resid 91 and name HN )) (( segid " " and resid 72 and name HG2 )) 3.900 1.900 2.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.96640E-03 ppm1 8.534 ppm2 1.693 CV 1 OR { 864} (( segid " " and resid 91 and name HN )) (( segid " " and resid 43 and name HB1 )) OR { 864} (( segid " " and resid 91 and name HN )) (( segid " " and resid 101 and name HB1 )) OR { 864} (( segid " " and resid 91 and name HN )) (( segid " " and resid 101 and name HB2 )) ASSI { 881} (( segid " " and resid 30 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.600 2.700 1.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.38079E-03 ppm1 7.360 ppm2 2.330 CV 1 OR { 881} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HG1 )) ASSI { 882} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.100 3.100 2.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.62384E-03 ppm1 7.365 ppm2 2.057 CV 1 OR { 882} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HB2 )) OR { 882} (( segid " " and resid 30 and name HN )) (( segid " " and resid 42 and name HG1 )) OR { 882} (( segid " " and resid 30 and name HN )) (( segid " " and resid 42 and name HG2 )) ASSI { 883} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB1 )) 4.000 2.000 2.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.20834E-02 ppm1 7.364 ppm2 1.898 CV 1 OR { 883} (( segid " " and resid 30 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 894} (( segid " " and resid 56 and name HN )) (( segid " " and resid 48 and name HG1 )) 3.800 1.800 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.57451E-03 ppm1 8.418 ppm2 2.127 CV 1 OR { 894} (( segid " " and resid 56 and name HN )) (( segid " " and resid 48 and name HG2 )) OR { 894} (( segid " " and resid 56 and name HN )) (( segid " " and resid 72 and name HE2 )) OR { 894} (( segid " " and resid 56 and name HN )) (( segid " " and resid 72 and name HE1 )) ASSI { 895} (( segid " " and resid 56 and name HN )) ( segid " " and resid 54 and name HB% ) 3.800 1.800 1.400 peak 895 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 8.421 ppm2 1.436 CV 1 ASSI { 904} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.300 1.500 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.19292E-02 ppm1 7.092 ppm2 2.251 CV 1 OR { 904} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) ASSI { 913} (( segid " " and resid 124 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.100 1.200 1.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.11976E-02 ppm1 6.537 ppm2 2.625 CV 1 OR { 913} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HB2 )) ASSI { 918} (( segid " " and resid 124 and name HN )) (( segid " " and resid 134 and name HN )) 5.700 4.000 0.300 peak 918 spectrum 1 weight 0.10000E+01 volume 0.32877E-03 ppm1 6.540 ppm2 9.092 CV 1 OR { 918} (( segid " " and resid 124 and name HN )) (( segid " " and resid 135 and name HN )) ASSI { 922} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HA )) 4.500 2.500 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.56021E-03 ppm1 8.574 ppm2 4.717 CV 1 OR { 922} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HA )) ASSI { 924} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HE2 )) 5.000 3.100 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.38668E-03 ppm1 8.573 ppm2 2.934 CV 1 OR { 924} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HE1 )) OR { 924} (( segid " " and resid 115 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 933} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HG2 )) 5.300 3.600 0.700 peak 933 spectrum 1 weight 0.10000E+01 volume 0.29535E-03 ppm1 8.578 ppm2 1.457 CV 1 OR { 933} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HG1 )) OR { 933} (( segid " " and resid 115 and name HN )) (( segid " " and resid 140 and name HB2 )) ASSI { 938} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 26 and name HA )) 3.600 1.700 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.53758E-03 ppm1 7.085 ppm2 4.305 CV 1 OR { 938} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 58 and name HA )) ASSI { 939} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 49 and name HA )) 3.800 1.800 1.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.82015E-03 ppm1 7.598 ppm2 4.253 CV 1 OR { 939} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 47 and name HA )) OR { 939} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 58 and name HA )) ASSI { 940} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 49 and name HA )) 4.400 2.400 1.600 peak 940 spectrum 1 weight 0.10000E+01 volume 0.94240E-03 ppm1 7.072 ppm2 4.255 CV 1 OR { 940} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 47 and name HA )) OR { 940} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 58 and name HA )) ASSI { 946} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 45 and name HN )) 4.200 2.200 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.72799E-03 ppm1 7.081 ppm2 8.472 CV 1 OR { 946} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 45 and name HN )) OR { 946} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 48 and name HN )) ASSI { 949} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 45 and name HN )) 4.300 2.400 1.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.44077E-03 ppm1 7.604 ppm2 8.482 CV 1 OR { 949} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 45 and name HN )) OR { 949} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 48 and name HN )) OR { 949} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 50 and name HN )) ASSI { 956} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG1 )) 2.900 1.100 1.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.84552E-03 ppm1 8.215 ppm2 1.648 CV 1 OR { 956} (( segid " " and resid 29 and name HN )) (( segid " " and resid 50 and name HB2 )) ASSI { 985} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 4.300 2.300 1.700 peak 985 spectrum 1 weight 0.10000E+01 volume 0.80665E-03 ppm1 7.348 ppm2 2.643 CV 1 OR { 985} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 985} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 986} (( segid " " and resid 10 and name HN )) (( segid " " and resid 77 and name HG )) 4.300 2.300 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.10520E-02 ppm1 7.348 ppm2 1.324 CV 1 OR { 986} (( segid " " and resid 10 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 986} (( segid " " and resid 10 and name HN )) ( segid " " and resid 23 and name HG2%) ASSI { 987} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HG2%) 4.700 2.700 1.300 peak 987 spectrum 1 weight 0.10000E+01 volume 0.59748E-03 ppm1 7.342 ppm2 1.246 CV 1 OR { 987} (( segid " " and resid 10 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 987} (( segid " " and resid 10 and name HN )) ( segid " " and resid 77 and name HB2 ) ASSI { 995} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 47 and name HA )) 3.800 1.800 1.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.58436E-03 ppm1 7.627 ppm2 4.227 CV 1 OR { 995} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 81 and name HA )) OR { 995} (( segid " " and resid 119 and name HE22)) (( segid " " and resid 121 and name HA )) ASSI { 998} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HD1 )) 5.000 3.200 1.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.49094E-03 ppm1 7.351 ppm2 3.063 CV 1 OR { 998} (( segid " " and resid 10 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 999} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HD2 )) 4.800 2.900 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.82167E-03 ppm1 7.347 ppm2 2.949 CV 1 OR { 999} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HE1 )) OR { 999} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HE2 )) ASSI { 1007} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG1 )) 3.800 1.800 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 7.349 ppm2 1.626 CV 1 OR { 1007} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HB1 )) OR { 1007} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HD1 )) OR { 1007} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HD2 )) ASSI { 1008} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG1 )) 4.000 2.000 2.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 7.342 ppm2 1.595 CV 1 OR { 1008} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HD1 )) OR { 1008} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HD2 )) ASSI { 1009} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 7.349 ppm2 1.542 CV 1 OR { 1009} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HD1 )) ASSI { 1010} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG2 )) 3.800 1.800 1.800 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.15343E-02 ppm1 7.351 ppm2 1.449 CV 1 ASSI { 1012} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HG1%) 4.500 2.600 1.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.91433E-03 ppm1 7.351 ppm2 0.684 CV 1 OR { 1012} (( segid " " and resid 10 and name HN )) ( segid " " and resid 19 and name HD1%) ASSI { 1018} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HB1 )) 5.000 3.100 1.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.42388E-03 ppm1 7.618 ppm2 3.135 CV 1 OR { 1018} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 46 and name HB1 )) ASSI { 1020} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HA )) 4.900 3.000 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.57873E-03 ppm1 7.593 ppm2 4.366 CV 1 OR { 1020} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 6 and name HA )) OR { 1020} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 39 and name HA )) ASSI { 1022} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HA )) 4.400 2.500 1.600 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.73788E-03 ppm1 6.837 ppm2 4.357 CV 1 OR { 1022} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 6 and name HA )) OR { 1022} (( segid " " and resid 119 and name HE21)) (( segid " " and resid 119 and name HA )) ASSI { 1029} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 4 and name HA )) 4.400 2.500 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.69086E-03 ppm1 7.623 ppm2 4.793 CV 1 OR { 1029} (( segid " " and resid 7 and name HD21)) (( segid " " and resid 7 and name HA )) OR { 1029} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 63 and name HA )) OR { 1029} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 37 and name HA )) ASSI { 1036} (( segid " " and resid 4 and name HD22)) ( segid " " and resid 47 and name HB% ) 4.400 2.400 1.600 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.89330E-03 ppm1 6.942 ppm2 1.240 CV 1 OR { 1036} (( segid " " and resid 4 and name HD22)) ( segid " " and resid 23 and name HG2%) OR { 1036} (( segid " " and resid 4 and name HD22)) (( segid " " and resid 25 and name HB2 )) ASSI { 1042} (( segid " " and resid 6 and name HE21)) ( segid " " and resid 47 and name HB% ) 3.400 1.500 1.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.95404E-03 ppm1 7.676 ppm2 1.259 CV 1 OR { 1042} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 75 and name HG1 )) ASSI { 1044} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 6 and name HB2 )) 4.000 2.000 2.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.13688E-02 ppm1 7.672 ppm2 2.115 CV 1 OR { 1044} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 75 and name HB2 )) OR { 1044} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 48 and name HG1 )) ASSI { 1046} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 4 and name HB1 )) 2.500 0.800 0.800 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.60247E-02 ppm1 7.599 ppm2 2.845 CV 1 OR { 1046} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HB2 )) ASSI { 1048} (( segid " " and resid 6 and name HE21)) ( segid " " and resid 47 and name HB% ) 3.400 1.500 1.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 7.633 ppm2 1.248 CV 1 OR { 1048} (( segid " " and resid 4 and name HD21)) ( segid " " and resid 47 and name HB% ) OR { 1048} (( segid " " and resid 4 and name HD21)) ( segid " " and resid 23 and name HG2%) OR { 1048} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 75 and name HG1 )) OR { 1048} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 39 and name HG1 )) OR { 1048} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 39 and name HG2 )) ASSI { 1051} (( segid " " and resid 36 and name HN )) ( segid " " and resid 122 and name HD% ) 4.000 2.000 2.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.59893E-03 ppm1 8.150 ppm2 6.637 CV 1 OR { 1051} (( segid " " and resid 36 and name HN )) (( segid " " and resid 122 and name HZ )) OR { 1051} (( segid " " and resid 36 and name HN )) ( segid " " and resid 134 and name HD% ) ASSI { 1056} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB )) 2.800 1.000 1.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.12446E-02 ppm1 6.898 ppm2 1.885 CV 1 OR { 1056} (( segid " " and resid 59 and name HN )) (( segid " " and resid 43 and name HB2 )) ASSI { 1064} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.000 1.200 1.200 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.27790E-02 ppm1 9.108 ppm2 3.976 CV 1 OR { 1064} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 1083} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 3.600 1.700 1.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 9.102 ppm2 8.167 CV 1 OR { 1083} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 1092} (( segid " " and resid 59 and name HN )) ( segid " " and resid 59 and name HG2%) 2.700 0.900 0.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.29625E-02 ppm1 6.899 ppm2 1.190 CV 1 OR { 1092} (( segid " " and resid 59 and name HN )) ( segid " " and resid 57 and name HB% ) OR { 1092} (( segid " " and resid 59 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 1093} (( segid " " and resid 59 and name HN )) (( segid " " and resid 71 and name HA2 )) 3.800 1.800 1.800 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 6.900 ppm2 4.038 CV 1 OR { 1093} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HA )) ASSI { 1097} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD1%) 3.500 1.600 1.600 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.37259E-02 ppm1 8.709 ppm2 0.518 CV 1 OR { 1097} (( segid " " and resid 78 and name HN )) ( segid " " and resid 86 and name HD1%) OR { 1097} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 1098} (( segid " " and resid 78 and name HN )) (( segid " " and resid 85 and name HB2 )) 3.900 1.900 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.10572E-02 ppm1 8.720 ppm2 1.635 CV 1 OR { 1098} (( segid " " and resid 78 and name HN )) (( segid " " and resid 85 and name HB1 )) OR { 1098} (( segid " " and resid 78 and name HN )) (( segid " " and resid 86 and name HB1 )) ASSI { 1099} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.700 0.900 0.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.36087E-02 ppm1 8.710 ppm2 1.334 CV 1 OR { 1099} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG )) OR { 1099} (( segid " " and resid 78 and name HN )) (( segid " " and resid 86 and name HB2 )) OR { 1099} (( segid " " and resid 78 and name HN )) (( segid " " and resid 84 and name HG )) ASSI { 1100} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 2.900 1.100 1.100 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.37843E-02 ppm1 8.709 ppm2 1.178 CV 1 OR { 1100} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 1101} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG11)) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 8.324 ppm2 1.410 CV 1 OR { 1101} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG12)) OR { 1101} (( segid " " and resid 34 and name HN )) (( segid " " and resid 41 and name HG11)) ASSI { 1105} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.600 0.900 0.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.30207E-02 ppm1 8.321 ppm2 2.849 CV 1 ASSI { 1108} (( segid " " and resid 47 and name HN )) ( segid " " and resid 73 and name HD1%) 3.200 1.300 1.300 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.42259E-02 ppm1 7.271 ppm2 0.642 CV 1 OR { 1108} (( segid " " and resid 47 and name HN )) ( segid " " and resid 45 and name HG2%) OR { 1108} (( segid " " and resid 47 and name HN )) ( segid " " and resid 86 and name HD2%) ASSI { 1110} (( segid " " and resid 24 and name HN )) ( segid " " and resid 22 and name HD1%) 5.300 3.500 0.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.67626E-03 ppm1 8.588 ppm2 -0.010 CV 1 OR { 1110} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 1117} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB1 )) 5.000 3.200 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.41932E-03 ppm1 8.591 ppm2 1.645 CV 1 OR { 1117} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HD1 )) OR { 1117} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HD2 )) ASSI { 1123} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.500 0.800 0.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.36552E-02 ppm1 7.272 ppm2 4.226 CV 1 OR { 1123} (( segid " " and resid 47 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 1124} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) 3.300 1.400 1.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 7.276 ppm2 3.738 CV 1 OR { 1124} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 1125} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.600 1.700 1.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.85705E-03 ppm1 7.267 ppm2 3.067 CV 1 OR { 1125} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HB1 )) ASSI { 1133} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG2%) 3.700 1.700 1.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.20848E-02 ppm1 8.288 ppm2 0.650 CV 1 OR { 1133} (( segid " " and resid 46 and name HN )) ( segid " " and resid 86 and name HD2%) OR { 1133} (( segid " " and resid 46 and name HN )) ( segid " " and resid 73 and name HD1%) ASSI { 1134} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG1%) 3.100 1.200 1.200 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.10141E-02 ppm1 8.292 ppm2 0.545 CV 1 OR { 1134} (( segid " " and resid 46 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 1158} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.300 2.300 1.700 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.86678E-03 ppm1 6.918 ppm2 1.182 CV 1 OR { 1158} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HG2 )) OR { 1158} (( segid " " and resid 74 and name HN )) ( segid " " and resid 59 and name HG2%) OR { 1158} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HG1 )) ASSI { 1159} (( segid " " and resid 74 and name HN )) ( segid " " and resid 73 and name HD1%) 3.100 1.200 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.20279E-02 ppm1 6.931 ppm2 0.650 CV 1 OR { 1159} (( segid " " and resid 74 and name HN )) ( segid " " and resid 86 and name HD2%) OR { 1159} (( segid " " and resid 74 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 1173} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HA )) 4.500 2.500 1.500 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.91707E-03 ppm1 8.463 ppm2 4.300 CV 1 OR { 1173} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 1184} (( segid " " and resid 23 and name HN )) (( segid " " and resid 140 and name HB1 )) 4.700 2.800 1.300 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.27972E-03 ppm1 8.860 ppm2 1.466 CV 1 OR { 1184} (( segid " " and resid 23 and name HN )) (( segid " " and resid 140 and name HB2 )) OR { 1184} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HG2 )) ASSI { 1186} (( segid " " and resid 23 and name HN )) (( segid " " and resid 140 and name HG )) 4.200 2.200 1.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.50456E-03 ppm1 8.861 ppm2 1.205 CV 1 OR { 1186} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) OR { 1186} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 1193} (( segid " " and resid 48 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.200 3.200 2.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.77044E-03 ppm1 8.464 ppm2 1.360 CV 1 OR { 1193} (( segid " " and resid 48 and name HN )) (( segid " " and resid 72 and name HG1 )) ASSI { 1195} (( segid " " and resid 48 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.900 3.000 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.55560E-03 ppm1 8.458 ppm2 1.166 CV 1 OR { 1195} (( segid " " and resid 48 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 1199} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HD1%) 5.200 3.400 0.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.65758E-03 ppm1 8.864 ppm2 -0.004 CV 1 OR { 1199} (( segid " " and resid 23 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 1202} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HB2 )) 4.500 2.500 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.51494E-03 ppm1 8.167 ppm2 2.700 CV 1 OR { 1202} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HB1 )) ASSI { 1203} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HG1 )) 2.800 1.000 1.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.57531E-02 ppm1 8.167 ppm2 2.418 CV 1 OR { 1203} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HG2 )) OR { 1203} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG1 )) ASSI { 1222} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 3.300 1.300 1.300 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.83540E-03 ppm1 7.755 ppm2 7.049 CV 1 ASSI { 1236} (( segid " " and resid 107 and name HN )) ( segid " " and resid 83 and name HG1%) 4.800 2.900 1.200 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.63567E-03 ppm1 7.682 ppm2 0.866 CV 1 OR { 1236} (( segid " " and resid 107 and name HN )) ( segid " " and resid 83 and name HG2%) OR { 1236} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HD1%) ASSI { 1242} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.600 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.22524E-02 ppm1 7.750 ppm2 1.180 CV 1 OR { 1242} (( segid " " and resid 73 and name HN )) ( segid " " and resid 59 and name HG2%) ASSI { 1244} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HD1%) 4.700 2.800 1.300 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.55241E-03 ppm1 7.745 ppm2 0.646 CV 1 OR { 1244} (( segid " " and resid 73 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 1268} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 3.000 1.200 1.200 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.21646E-02 ppm1 7.531 ppm2 4.552 CV 1 OR { 1268} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HA )) ASSI { 1270} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HA )) 3.500 1.600 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 7.524 ppm2 4.243 CV 1 OR { 1270} (( segid " " and resid 142 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 1271} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.21493E-02 ppm1 7.115 ppm2 4.552 CV 1 OR { 1271} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HA )) ASSI { 1273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) 2.900 1.000 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.38919E-02 ppm1 7.531 ppm2 3.124 CV 1 OR { 1273} (( segid " " and resid 142 and name HN )) (( segid " " and resid 110 and name HB1 )) ASSI { 1277} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.800 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.22005E-02 ppm1 8.119 ppm2 1.872 CV 1 OR { 1277} (( segid " " and resid 44 and name HN )) (( segid " " and resid 59 and name HB )) ASSI { 1279} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.100 1.200 1.200 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.14025E-02 ppm1 8.117 ppm2 1.739 CV 1 OR { 1279} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 1281} (( segid " " and resid 44 and name HN )) ( segid " " and resid 59 and name HG2%) 4.200 2.200 1.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.77013E-03 ppm1 8.116 ppm2 1.161 CV 1 OR { 1281} (( segid " " and resid 44 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 1283} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD2%) 3.900 1.900 1.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 8.123 ppm2 0.666 CV 1 OR { 1283} (( segid " " and resid 44 and name HN )) ( segid " " and resid 45 and name HG2%) OR { 1283} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 1283} (( segid " " and resid 44 and name HN )) ( segid " " and resid 73 and name HD1%) ASSI { 1304} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 4.300 2.300 1.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.65964E-03 ppm1 6.660 ppm2 2.117 CV 1 OR { 1304} (( segid " " and resid 129 and name HN )) ( segid " " and resid 100 and name HE% ) OR { 1304} (( segid " " and resid 129 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI { 1330} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.800 1.800 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.25267E-02 ppm1 8.238 ppm2 1.729 CV 1 OR { 1330} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB1 )) OR { 1330} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HD1 )) OR { 1330} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HD2 )) ASSI { 1334} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HG1 )) 3.800 1.800 1.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.86515E-03 ppm1 8.239 ppm2 2.538 CV 1 ASSI { 1355} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 4.200 2.200 1.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 7.761 ppm2 2.388 CV 1 OR { 1355} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 1360} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HB2 )) 4.100 2.100 1.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.78405E-03 ppm1 9.455 ppm2 2.315 CV 1 OR { 1360} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 82 and name HG2 )) ASSI { 1367} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.000 1.100 1.100 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.19854E-02 ppm1 8.501 ppm2 4.786 CV 1 OR { 1367} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 1380} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.500 2.500 1.500 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.63077E-03 ppm1 8.052 ppm2 1.650 CV 1 OR { 1380} (( segid " " and resid 76 and name HN )) (( segid " " and resid 86 and name HB1 )) ASSI { 1381} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) 3.200 1.300 1.300 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.27303E-02 ppm1 8.059 ppm2 1.230 CV 1 OR { 1381} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG1 )) ASSI { 1388} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 2.900 1.000 1.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.18232E-02 ppm1 7.069 ppm2 8.459 CV 1 OR { 1388} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HN )) ASSI { 1389} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.800 0.900 0.900 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.30848E-02 ppm1 7.069 ppm2 4.490 CV 1 ASSI { 1408} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.000 1.100 1.100 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 8.396 ppm2 1.727 CV 1 OR { 1408} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 1410} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG1 )) 3.600 1.700 1.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.22369E-02 ppm1 8.401 ppm2 1.280 CV 1 OR { 1410} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG2 )) OR { 1410} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HG2 )) OR { 1410} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HG1 )) ASSI { 1413} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.500 1.500 1.500 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.98884E-03 ppm1 8.399 ppm2 3.130 CV 1 OR { 1413} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HD2 )) ASSI { 1424} (( segid " " and resid 134 and name HN )) ( segid " " and resid 133 and name HD% ) 2.800 2.800 3.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.89794E-03 ppm1 9.080 ppm2 6.939 CV 1 OR { 1424} (( segid " " and resid 134 and name HN )) ( segid " " and resid 105 and name HD% ) ASSI { 1434} (( segid " " and resid 134 and name HN )) (( segid " " and resid 105 and name HB2 )) 4.300 2.400 1.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.76317E-03 ppm1 9.076 ppm2 2.633 CV 1 OR { 1434} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB2 )) ASSI { 1437} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB1 )) 3.600 1.600 1.600 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.88706E-03 ppm1 8.304 ppm2 3.990 CV 1 OR { 1437} (( segid " " and resid 113 and name HN )) (( segid " " and resid 115 and name HA2 )) ASSI { 1440} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB1 )) 3.400 1.500 1.500 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.25160E-02 ppm1 8.297 ppm2 2.930 CV 1 OR { 1440} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HE1 )) OR { 1440} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HE2 )) ASSI { 1445} (( segid " " and resid 92 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.800 1.500 2.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.67869E-03 ppm1 8.746 ppm2 3.092 CV 1 OR { 1445} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HB1 )) ASSI { 1449} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD1%) 4.100 2.100 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.20545E-02 ppm1 7.913 ppm2 -0.003 CV 1 OR { 1449} (( segid " " and resid 25 and name HN )) ( segid " " and resid 22 and name HD1%) ASSI { 1454} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.29541E-02 ppm1 7.910 ppm2 4.350 CV 1 OR { 1454} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA )) OR { 1454} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 1455} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.12640E-02 ppm1 7.911 ppm2 4.243 CV 1 OR { 1455} (( segid " " and resid 25 and name HN )) (( segid " " and resid 138 and name HB )) OR { 1455} (( segid " " and resid 25 and name HN )) (( segid " " and resid 140 and name HA )) ASSI { 1457} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB2 )) 4.900 3.000 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.65686E-03 ppm1 7.913 ppm2 1.887 CV 1 OR { 1457} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 1458} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 2.500 0.800 0.800 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.98101E-02 ppm1 8.665 ppm2 2.842 CV 1 OR { 1458} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) OR { 1458} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB1 )) ASSI { 1462} (( segid " " and resid 117 and name HN )) (( segid " " and resid 114 and name HA )) 4.100 2.100 1.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.61338E-03 ppm1 8.669 ppm2 4.384 CV 1 OR { 1462} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HB1 )) ASSI { 1470} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HG2%) 4.700 2.700 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.39916E-03 ppm1 9.099 ppm2 0.859 CV 1 OR { 1470} (( segid " " and resid 138 and name HN )) (( segid " " and resid 22 and name HG )) OR { 1470} (( segid " " and resid 138 and name HN )) ( segid " " and resid 140 and name HD1%) ASSI { 1474} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.200 0.600 0.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.46945E-02 ppm1 9.100 ppm2 5.531 CV 1 OR { 1474} (( segid " " and resid 138 and name HN )) (( segid " " and resid 108 and name HA )) ASSI { 1477} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB )) 3.800 1.800 1.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.62000E-03 ppm1 9.101 ppm2 4.284 CV 1 OR { 1477} (( segid " " and resid 138 and name HN )) (( segid " " and resid 109 and name HA )) ASSI { 1479} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 4.300 2.300 1.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.81308E-03 ppm1 9.100 ppm2 2.950 CV 1 OR { 1479} (( segid " " and resid 138 and name HN )) (( segid " " and resid 108 and name HB1 )) ASSI { 1488} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD2%) 3.600 1.600 1.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 9.373 ppm2 0.643 CV 1 OR { 1488} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 1488} (( segid " " and resid 43 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 1489} (( segid " " and resid 43 and name HN )) ( segid " " and resid 59 and name HG2%) 4.700 2.800 1.300 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.56245E-03 ppm1 9.368 ppm2 1.159 CV 1 OR { 1489} (( segid " " and resid 43 and name HN )) ( segid " " and resid 57 and name HB% ) OR { 1489} (( segid " " and resid 43 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 1514} (( segid " " and resid 11 and name HN )) (( segid " " and resid 21 and name HA )) 5.000 3.200 1.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.55393E-03 ppm1 8.839 ppm2 5.033 CV 1 OR { 1514} (( segid " " and resid 11 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 1516} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.100 1.200 1.200 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.26050E-02 ppm1 8.394 ppm2 2.933 CV 1 ASSI { 1518} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.600 2.700 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.93270E-03 ppm1 8.389 ppm2 2.635 CV 1 OR { 1518} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 1524} (( segid " " and resid 31 and name HN )) ( segid " " and resid 45 and name HG2%) 4.600 2.600 1.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.64092E-03 ppm1 9.197 ppm2 0.647 CV 1 OR { 1524} (( segid " " and resid 31 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 1524} (( segid " " and resid 31 and name HN )) ( segid " " and resid 25 and name HD2%) OR { 1524} (( segid " " and resid 31 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 1532} (( segid " " and resid 53 and name HN )) ( segid " " and resid 49 and name HB% ) 3.800 1.800 1.800 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.79790E-03 ppm1 8.168 ppm2 1.066 CV 1 OR { 1532} (( segid " " and resid 53 and name HN )) ( segid " " and resid 67 and name HG2%) ASSI { 1533} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG2 )) 3.800 1.800 1.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 8.215 ppm2 1.449 CV 1 OR { 1533} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG1 )) ASSI { 1541} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HG1%) 3.200 1.300 1.300 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.24443E-02 ppm1 7.985 ppm2 0.694 CV 1 OR { 1541} (( segid " " and resid 12 and name HN )) ( segid " " and resid 19 and name HD1%) ASSI { 1542} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB )) 2.600 0.900 0.900 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 7.875 ppm2 4.350 CV 1 OR { 1542} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) OR { 1542} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 1558} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG2 )) 3.500 1.500 1.400 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.68440E-03 ppm1 8.842 ppm2 1.450 CV 1 OR { 1558} (( segid " " and resid 11 and name HN )) (( segid " " and resid 19 and name HG )) ASSI { 1559} (( segid " " and resid 11 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.500 1.500 1.900 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.78322E-03 ppm1 8.838 ppm2 2.978 CV 1 OR { 1559} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HD2 )) ASSI { 1583} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.000 1.200 1.200 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 8.273 ppm2 2.887 CV 1 ASSI { 1606} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.800 1.800 1.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.98812E-03 ppm1 8.176 ppm2 2.119 CV 1 OR { 1606} (( segid " " and resid 8 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 1610} (( segid " " and resid 45 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.700 1.700 2.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.19816E-02 ppm1 8.462 ppm2 1.693 CV 1 ASSI { 1614} (( segid " " and resid 45 and name HN )) (( segid " " and resid 26 and name HB1 )) 4.000 2.000 2.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.53366E-03 ppm1 8.466 ppm2 1.335 CV 1 OR { 1614} (( segid " " and resid 45 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 1616} (( segid " " and resid 45 and name HN )) ( segid " " and resid 47 and name HB% ) 4.400 2.500 1.600 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.57360E-03 ppm1 8.489 ppm2 1.273 CV 1 OR { 1616} (( segid " " and resid 45 and name HN )) (( segid " " and resid 25 and name HB2 )) OR { 1616} (( segid " " and resid 45 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 1619} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HB1 )) 4.000 2.200 1.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.43313E-03 ppm1 7.515 ppm2 2.810 CV 1 OR { 1619} (( segid " " and resid 83 and name HN )) (( segid " " and resid 85 and name HE2 )) ASSI { 1620} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.600 1.600 1.600 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.12616E-02 ppm1 7.515 ppm2 2.502 CV 1 OR { 1620} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HB2 )) OR { 1620} (( segid " " and resid 83 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 1623} (( segid " " and resid 13 and name HN )) ( segid " " and resid 11 and name HG1%) 4.500 2.500 1.500 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.75750E-03 ppm1 8.214 ppm2 0.690 CV 1 OR { 1623} (( segid " " and resid 13 and name HN )) ( segid " " and resid 19 and name HD1%) ASSI { 1625} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG1 )) 3.700 1.700 1.700 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.92144E-03 ppm1 8.373 ppm2 2.021 CV 1 OR { 1625} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG2 )) OR { 1625} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HB )) ASSI { 1630} (( segid " " and resid 13 and name HN )) ( segid " " and resid 20 and name HE% ) 3.700 1.700 1.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 8.219 ppm2 6.814 CV 1 OR { 1630} (( segid " " and resid 13 and name HN )) ( segid " " and resid 79 and name HD% ) ASSI { 1634} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HB2 )) 5.200 3.400 0.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.34337E-03 ppm1 7.527 ppm2 1.731 CV 1 OR { 1634} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HB1 )) ASSI { 1646} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB )) 2.900 1.100 1.100 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.29129E-02 ppm1 8.344 ppm2 1.194 CV 1 OR { 1646} (( segid " " and resid 109 and name HN )) ( segid " " and resid 141 and name HB% ) ASSI { 1651} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB1 )) 3.000 1.100 1.100 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.51601E-02 ppm1 8.571 ppm2 2.828 CV 1 OR { 1651} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HB1 )) OR { 1651} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HB2 )) ASSI { 1675} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HD1%) 4.400 2.400 1.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.95225E-03 ppm1 8.570 ppm2 0.695 CV 1 OR { 1675} (( segid " " and resid 21 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 1688} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB1 )) 4.300 2.300 1.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.52198E-03 ppm1 7.587 ppm2 2.782 CV 1 OR { 1688} (( segid " " and resid 26 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 1698} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HN )) 3.600 1.600 1.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.14355E-02 ppm1 7.588 ppm2 8.547 CV 1 OR { 1698} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HN )) ASSI { 1704} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG1 )) 2.000 0.500 0.500 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.60365E-02 ppm1 7.582 ppm2 1.961 CV 1 OR { 1704} (( segid " " and resid 57 and name HN )) (( segid " " and resid 72 and name HB1 )) OR { 1704} (( segid " " and resid 57 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 1706} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.000 0.500 0.500 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.14069E-01 ppm1 7.586 ppm2 1.865 CV 1 OR { 1706} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) OR { 1706} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 1707} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD1 )) 3.900 1.900 1.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.23678E-02 ppm1 7.584 ppm2 1.682 CV 1 OR { 1707} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD2 )) OR { 1707} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HD2 )) OR { 1707} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HD1 )) ASSI { 1708} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.18519E-02 ppm1 7.581 ppm2 1.612 CV 1 OR { 1708} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HG1 )) ASSI { 1710} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.400 1.500 1.500 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.26217E-02 ppm1 7.579 ppm2 1.276 CV 1 OR { 1710} (( segid " " and resid 26 and name HN )) ( segid " " and resid 47 and name HB% ) OR { 1710} (( segid " " and resid 26 and name HN )) ( segid " " and resid 23 and name HG2%) ASSI { 1712} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD2%) 4.400 2.500 1.600 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.90311E-03 ppm1 7.579 ppm2 0.661 CV 1 OR { 1712} (( segid " " and resid 26 and name HN )) ( segid " " and resid 45 and name HG2%) OR { 1712} (( segid " " and resid 57 and name HN )) ( segid " " and resid 73 and name HD1%) ASSI { 1723} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.000 1.200 1.200 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 8.218 ppm2 2.178 CV 1 OR { 1723} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 1723} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HB )) ASSI { 1728} (( segid " " and resid 35 and name HN )) (( segid " " and resid 39 and name HA )) 4.000 2.200 1.000 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.13190E-02 ppm1 8.223 ppm2 4.357 CV 1 OR { 1728} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 1733} (( segid " " and resid 75 and name HN )) ( segid " " and resid 73 and name HD1%) 3.500 1.500 1.500 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.87892E-03 ppm1 8.717 ppm2 0.649 CV 1 OR { 1733} (( segid " " and resid 75 and name HN )) ( segid " " and resid 86 and name HD2%) ASSI { 1738} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG12)) 2.900 1.000 1.000 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.13156E-02 ppm1 9.344 ppm2 1.403 CV 1 OR { 1738} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG11)) OR { 1738} (( segid " " and resid 33 and name HN )) (( segid " " and resid 41 and name HG11)) ASSI { 1753} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 3.100 1.200 1.200 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.98379E-03 ppm1 8.792 ppm2 2.622 CV 1 OR { 1753} (( segid " " and resid 133 and name HN )) (( segid " " and resid 105 and name HB2 )) ASSI { 1760} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG2 )) 2.700 0.900 0.900 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.26417E-02 ppm1 8.730 ppm2 1.222 CV 1 OR { 1760} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG1 )) OR { 1760} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 1762} (( segid " " and resid 114 and name HN )) (( segid " " and resid 111 and name HA )) 4.900 3.000 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.82688E-03 ppm1 7.715 ppm2 4.563 CV 1 OR { 1762} (( segid " " and resid 114 and name HN )) (( segid " " and resid 118 and name HA )) OR { 1762} (( segid " " and resid 114 and name HN )) (( segid " " and resid 139 and name HA )) ASSI { 1776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.500 1.500 2.500 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 8.583 ppm2 1.675 CV 1 OR { 1776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HB2 )) OR { 1776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HG1 )) OR { 1776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB1 )) OR { 1776} (( segid " " and resid 145 and name HN )) (( segid " " and resid 148 and name HB2 )) ASSI { 1788} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG1 )) 3.600 1.600 1.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 8.166 ppm2 1.293 CV 1 OR { 1788} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG2 )) OR { 1788} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG2 )) OR { 1788} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG1 )) ASSI { 1798} (( segid " " and resid 40 and name HN )) (( segid " " and resid 62 and name HB )) 3.300 1.500 1.300 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.76446E-03 ppm1 8.161 ppm2 4.049 CV 1 OR { 1798} (( segid " " and resid 40 and name HN )) (( segid " " and resid 65 and name HB1 )) ASSI { 1823} (( segid " " and resid 6 and name HN )) (( segid " " and resid 26 and name HB2 )) 4.600 2.700 1.400 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.75518E-03 ppm1 8.459 ppm2 1.865 CV 1 ASSI { 1841} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG1 )) 3.400 1.500 1.500 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 9.184 ppm2 1.524 CV 1 OR { 1841} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG2 )) OR { 1841} (( segid " " and resid 112 and name HN )) ( segid " " and resid 114 and name HB% ) ASSI { 1843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 45 and name HG2%) 4.900 3.100 1.100 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.35075E-03 ppm1 9.411 ppm2 0.669 CV 1 OR { 1843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 123 and name HD1%) OR { 1843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 123 and name HD2%) OR { 1843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 1843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 1843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 1845} (( segid " " and resid 106 and name HN )) (( segid " " and resid 86 and name HB1 )) 4.000 2.000 2.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.43663E-03 ppm1 9.415 ppm2 1.629 CV 1 OR { 1845} (( segid " " and resid 106 and name HN )) (( segid " " and resid 85 and name HB1 )) ASSI { 1849} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB )) 3.000 1.100 1.100 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.28779E-02 ppm1 9.154 ppm2 1.177 CV 1 OR { 1849} (( segid " " and resid 110 and name HN )) ( segid " " and resid 141 and name HB% ) ASSI { 1853} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HG2 )) 5.100 3.300 0.900 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.37731E-03 ppm1 8.977 ppm2 2.237 CV 1 OR { 1853} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HG1 )) ASSI { 1854} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HG2 )) 3.300 1.400 1.400 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 8.980 ppm2 1.895 CV 1 ASSI { 1857} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.200 0.600 0.600 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.76112E-02 ppm1 8.485 ppm2 2.117 CV 1 ASSI { 1858} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 2.900 1.100 1.100 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.80478E-02 ppm1 8.483 ppm2 2.041 CV 1 OR { 1858} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB )) ASSI { 1898} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 3.800 1.800 2.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.15044E-02 ppm1 8.691 ppm2 8.469 CV 1 OR { 1898} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 1899} (( segid " " and resid 27 and name HN )) (( segid " " and resid 44 and name HD21)) 3.700 1.700 1.700 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.21692E-02 ppm1 8.226 ppm2 7.591 CV 1 OR { 1899} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) ASSI { 1914} (( segid " " and resid 79 and name HN )) ( segid " " and resid 11 and name HG2%) 3.300 1.500 1.100 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.40608E-02 ppm1 8.878 ppm2 1.274 CV 1 ASSI { 1917} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 8.226 ppm2 1.892 CV 1 OR { 1917} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 1918} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG1 )) 3.000 1.200 1.200 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.16567E-02 ppm1 8.229 ppm2 1.623 CV 1 OR { 1918} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HB1 )) ASSI { 1919} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG2 )) 2.700 0.900 0.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.20933E-02 ppm1 8.227 ppm2 1.469 CV 1 OR { 1919} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG2 )) ASSI { 1920} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.400 1.400 1.400 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 8.225 ppm2 1.376 CV 1 OR { 1920} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) ASSI { 1932} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.200 1.300 1.300 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.30373E-02 ppm1 9.084 ppm2 2.487 CV 1 OR { 1932} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 1938} (( segid " " and resid 72 and name HN )) (( segid " " and resid 59 and name HB )) 4.500 2.500 1.500 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.99040E-03 ppm1 8.837 ppm2 1.849 CV 1 OR { 1938} (( segid " " and resid 72 and name HN )) (( segid " " and resid 87 and name HB )) ASSI { 1941} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.600 0.900 0.900 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.20512E-02 ppm1 8.833 ppm2 4.505 CV 1 OR { 1941} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) ASSI { 1947} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.600 0.800 0.800 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 8.188 ppm2 1.259 CV 1 OR { 1947} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) OR { 1947} (( segid " " and resid 22 and name HN )) ( segid " " and resid 23 and name HG2%) OR { 1947} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 1949} (( segid " " and resid 108 and name HN )) ( segid " " and resid 83 and name HG1%) 3.100 1.200 1.200 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.22348E-02 ppm1 9.670 ppm2 0.866 CV 1 OR { 1949} (( segid " " and resid 108 and name HN )) ( segid " " and resid 83 and name HG2%) OR { 1949} (( segid " " and resid 108 and name HN )) ( segid " " and resid 109 and name HG2%) ASSI { 1952} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) 3.100 1.200 1.200 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.68231E-03 ppm1 9.663 ppm2 2.415 CV 1 ASSI { 1972} (( segid " " and resid 108 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.300 2.400 1.700 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.81178E-03 ppm1 9.659 ppm2 1.314 CV 1 OR { 1972} (( segid " " and resid 108 and name HN )) (( segid " " and resid 84 and name HG )) OR { 1972} (( segid " " and resid 108 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 1973} (( segid " " and resid 9 and name HN )) (( segid " " and resid 75 and name HG1 )) 3.600 1.600 1.600 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 9.656 ppm2 1.266 CV 1 OR { 1973} (( segid " " and resid 108 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 1973} (( segid " " and resid 108 and name HN )) (( segid " " and resid 84 and name HB2 )) OR { 1973} (( segid " " and resid 108 and name HN )) (( segid " " and resid 85 and name HG2 )) OR { 1973} (( segid " " and resid 108 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 1975} (( segid " " and resid 9 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.700 1.700 1.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.95560E-03 ppm1 9.632 ppm2 1.639 CV 1 OR { 1975} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HG1 )) OR { 1975} (( segid " " and resid 9 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 1982} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HG1%) 3.400 1.400 1.400 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.27442E-02 ppm1 8.773 ppm2 0.500 CV 1 OR { 1982} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 1983} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.300 1.400 1.400 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.17389E-02 ppm1 8.504 ppm2 1.285 CV 1 OR { 1983} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 1983} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HG2 )) ASSI { 1984} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD2%) 4.400 2.400 1.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.10829E-02 ppm1 8.498 ppm2 0.664 CV 1 OR { 1984} (( segid " " and resid 86 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 1985} (( segid " " and resid 86 and name HN )) ( segid " " and resid 87 and name HG1%) 4.100 2.100 1.900 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.96960E-03 ppm1 8.498 ppm2 0.508 CV 1 OR { 1985} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 1987} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB1 )) 4.100 2.100 1.900 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.58208E-03 ppm1 8.773 ppm2 1.644 CV 1 OR { 1987} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HB1 )) ASSI { 1989} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB1 )) 2.600 0.800 0.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.31084E-02 ppm1 8.496 ppm2 1.623 CV 1 OR { 1989} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB1 )) OR { 1989} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI { 1990} (( segid " " and resid 72 and name HN )) (( segid " " and resid 90 and name HB2 )) 4.300 2.300 1.700 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 8.845 ppm2 2.709 CV 1 OR { 1990} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB2 )) OR { 1990} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB1 )) ASSI { 1992} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB1 )) 2.600 0.900 0.900 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.61239E-02 ppm1 8.851 ppm2 2.098 CV 1 OR { 1992} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) OR { 1992} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HB2 )) OR { 1992} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HE1 )) OR { 1992} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HE2 )) ASSI { 1999} (( segid " " and resid 86 and name HN )) ( segid " " and resid 108 and name HD% ) 3.900 1.900 1.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.69155E-03 ppm1 8.493 ppm2 6.745 CV 1 OR { 1999} (( segid " " and resid 86 and name HN )) ( segid " " and resid 106 and name HD% ) OR { 1999} (( segid " " and resid 86 and name HN )) ( segid " " and resid 105 and name HE% ) ASSI { 2002} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.900 1.100 1.100 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.21112E-02 ppm1 8.852 ppm2 3.626 CV 1 OR { 2002} (( segid " " and resid 127 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 2016} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 3.700 1.700 1.700 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.43564E-03 ppm1 9.338 ppm2 5.086 CV 1 OR { 2016} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) ASSI { 2028} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 9.657 ppm2 4.923 CV 1 OR { 2028} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 2041} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 4.100 2.100 1.900 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 9.305 ppm2 1.160 CV 1 OR { 2041} (( segid " " and resid 20 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 2042} (( segid " " and resid 20 and name HN )) ( segid " " and resid 12 and name HG2%) 3.000 3.000 3.000 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.13622E-02 ppm1 9.305 ppm2 0.862 CV 1 OR { 2042} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HG )) ASSI { 2043} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD1%) 3.000 1.200 1.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.45500E-02 ppm1 9.302 ppm2 0.687 CV 1 OR { 2043} (( segid " " and resid 20 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 2063} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.400 1.500 1.500 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.89463E-03 ppm1 8.880 ppm2 1.905 CV 1 OR { 2063} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) OR { 2063} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB )) ASSI { 2069} (( segid " " and resid 63 and name HN )) (( segid " " and resid 67 and name HA )) 3.000 1.100 1.100 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 8.545 ppm2 4.831 CV 1 OR { 2069} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) ASSI { 2070} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HA )) 4.700 2.800 1.300 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.57660E-03 ppm1 8.554 ppm2 4.515 CV 1 OR { 2070} (( segid " " and resid 63 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 2074} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.400 1.400 1.400 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 8.545 ppm2 1.851 CV 1 OR { 2074} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 2075} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB1 )) 4.500 2.600 1.500 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.10960E-02 ppm1 9.097 ppm2 1.745 CV 1 OR { 2075} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB2 )) OR { 2075} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB )) OR { 2075} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 2077} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG11)) 2.700 0.900 0.900 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.22762E-02 ppm1 9.099 ppm2 1.415 CV 1 OR { 2077} (( segid " " and resid 41 and name HN )) (( segid " " and resid 33 and name HG11)) OR { 2077} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG12)) OR { 2077} (( segid " " and resid 41 and name HN )) (( segid " " and resid 33 and name HG12)) ASSI { 2079} (( segid " " and resid 41 and name HN )) ( segid " " and resid 34 and name HG2%) 3.400 1.400 1.400 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.13650E-02 ppm1 9.094 ppm2 1.178 CV 1 OR { 2079} (( segid " " and resid 41 and name HN )) ( segid " " and resid 62 and name HG2%) OR { 2079} (( segid " " and resid 41 and name HN )) ( segid " " and resid 59 and name HG2%) ASSI { 2080} (( segid " " and resid 41 and name HN )) ( segid " " and resid 33 and name HG2%) 3.500 3.500 2.500 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.10322E-02 ppm1 9.099 ppm2 0.953 CV 1 OR { 2080} (( segid " " and resid 41 and name HN )) ( segid " " and resid 59 and name HG1%) ASSI { 2081} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HG2%) 3.800 1.900 1.900 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.11262E-02 ppm1 9.094 ppm2 0.889 CV 1 OR { 2081} (( segid " " and resid 41 and name HN )) ( segid " " and resid 33 and name HD1%) OR { 2081} (( segid " " and resid 137 and name HN )) ( segid " " and resid 121 and name HG2%) ASSI { 2082} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD1%) 4.400 2.400 1.600 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.97888E-03 ppm1 9.100 ppm2 0.616 CV 1 OR { 2082} (( segid " " and resid 137 and name HN )) ( segid " " and resid 109 and name HG1%) OR { 2082} (( segid " " and resid 41 and name HN )) ( segid " " and resid 43 and name HD2%) ASSI { 2088} (( segid " " and resid 41 and name HN )) (( segid " " and resid 34 and name HA )) 3.500 1.500 1.500 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 9.101 ppm2 5.493 CV 1 OR { 2088} (( segid " " and resid 41 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 2092} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HN )) 3.800 1.800 1.800 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 8.545 ppm2 7.592 CV 1 OR { 2092} (( segid " " and resid 63 and name HN )) (( segid " " and resid 38 and name HD22)) ASSI { 2123} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HN )) 3.500 1.500 1.500 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.25137E-02 ppm1 8.414 ppm2 6.820 CV 1 OR { 2123} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HD% ) ASSI { 2130} (( segid " " and resid 80 and name HN )) (( segid " " and resid 85 and name HG2 )) 4.000 2.200 1.600 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 8.415 ppm2 1.270 CV 1 OR { 2130} (( segid " " and resid 80 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 2130} (( segid " " and resid 80 and name HN )) (( segid " " and resid 84 and name HB2 )) ASSI { 2134} (( segid " " and resid 68 and name HN )) ( segid " " and resid 62 and name HG2%) 3.100 3.100 2.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.93133E-03 ppm1 8.996 ppm2 1.177 CV 1 OR { 2134} (( segid " " and resid 68 and name HN )) ( segid " " and resid 57 and name HB% ) OR { 2134} (( segid " " and resid 68 and name HN )) ( segid " " and resid 59 and name HG2%) ASSI { 2136} (( segid " " and resid 136 and name HN )) ( segid " " and resid 123 and name HD1%) 3.800 1.800 1.800 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.53084E-03 ppm1 8.831 ppm2 0.682 CV 1 OR { 2136} (( segid " " and resid 126 and name HN )) ( segid " " and resid 61 and name HD1%) OR { 2136} (( segid " " and resid 136 and name HN )) ( segid " " and resid 25 and name HD2%) OR { 2136} (( segid " " and resid 126 and name HN )) ( segid " " and resid 123 and name HD1%) OR { 2136} (( segid " " and resid 126 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 2137} (( segid " " and resid 136 and name HN )) ( segid " " and resid 109 and name HG1%) 3.800 1.800 1.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.12445E-02 ppm1 8.834 ppm2 0.579 CV 1 OR { 2137} (( segid " " and resid 126 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 2160} (( segid " " and resid 123 and name HN )) ( segid " " and resid 134 and name HD% ) 3.500 1.500 1.500 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.12044E-02 ppm1 8.552 ppm2 6.634 CV 1 OR { 2160} (( segid " " and resid 123 and name HN )) ( segid " " and resid 122 and name HD% ) ASSI { 2173} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.800 1.000 0.600 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.55743E-02 ppm1 8.900 ppm2 1.226 CV 1 OR { 2173} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HG2%) OR { 2173} (( segid " " and resid 77 and name HN )) ( segid " " and resid 11 and name HG2%) ASSI { 2207} (( segid " " and resid 111 and name HN )) ( segid " " and resid 141 and name HB% ) 3.700 1.700 1.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.20366E-02 ppm1 6.966 ppm2 1.168 CV 1 OR { 2207} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HB )) ASSI { 2216} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.700 1.700 1.700 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.40399E-03 ppm1 8.641 ppm2 4.561 CV 1 OR { 2216} (( segid " " and resid 70 and name HN )) (( segid " " and resid 59 and name HA )) ASSI { 2217} (( segid " " and resid 111 and name HN )) (( segid " " and resid 137 and name HA )) 4.500 2.600 1.500 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.42898E-03 ppm1 6.960 ppm2 5.530 CV 1 OR { 2217} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HA )) ASSI { 2239} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) 4.700 2.800 1.300 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.49414E-03 ppm1 7.761 ppm2 2.684 CV 1 OR { 2239} (( segid " " and resid 132 and name HN )) (( segid " " and resid 126 and name HB2 )) OR { 2239} (( segid " " and resid 132 and name HN )) (( segid " " and resid 126 and name HB1 )) OR { 2239} (( segid " " and resid 130 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 2242} (( segid " " and resid 11 and name HN )) (( segid " " and resid 22 and name HN )) 5.500 3.700 0.500 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.34574E-03 ppm1 8.846 ppm2 8.194 CV 1 OR { 2242} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HN )) ASSI { 2251} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HD2%) 4.500 2.500 1.500 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.58706E-03 ppm1 8.873 ppm2 0.618 CV 1 OR { 2251} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 2272} (( segid " " and resid 61 and name HN )) ( segid " " and resid 70 and name HB% ) 4.400 2.400 1.600 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.41841E-03 ppm1 9.769 ppm2 1.313 CV 1 OR { 2272} (( segid " " and resid 61 and name HN )) (( segid " " and resid 68 and name HB2 )) ASSI { 2276} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG12)) 2.800 1.000 1.000 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.81216E-03 ppm1 9.766 ppm2 1.581 CV 1 OR { 2276} (( segid " " and resid 61 and name HN )) (( segid " " and resid 68 and name HB1 )) ASSI { 2277} (( segid " " and resid 61 and name HN )) ( segid " " and resid 59 and name HG2%) 5.600 3.900 0.400 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.33550E-03 ppm1 9.760 ppm2 1.198 CV 1 OR { 2277} (( segid " " and resid 61 and name HN )) ( segid " " and resid 57 and name HB% ) OR { 2277} (( segid " " and resid 61 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 2278} (( segid " " and resid 61 and name HN )) (( segid " " and resid 68 and name HG )) 3.900 1.900 1.900 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.55089E-03 ppm1 9.763 ppm2 1.068 CV 1 OR { 2278} (( segid " " and resid 61 and name HN )) ( segid " " and resid 67 and name HG2%) ASSI { 2302} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 4.000 2.200 1.800 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.10523E-02 ppm1 9.055 ppm2 1.720 CV 1 OR { 2302} (( segid " " and resid 85 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 2305} (( segid " " and resid 85 and name HN )) ( segid " " and resid 78 and name HG2%) 3.600 1.600 1.600 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.10992E-02 ppm1 9.056 ppm2 1.182 CV 1 OR { 2305} (( segid " " and resid 85 and name HN )) ( segid " " and resid 141 and name HB% ) ASSI { 2306} (( segid " " and resid 85 and name HN )) ( segid " " and resid 83 and name HG1%) 4.000 2.000 2.000 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 9.061 ppm2 0.866 CV 1 OR { 2306} (( segid " " and resid 85 and name HN )) ( segid " " and resid 83 and name HG2%) OR { 2306} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HG )) ASSI { 2307} (( segid " " and resid 85 and name HN )) ( segid " " and resid 77 and name HD2%) 3.500 1.600 1.600 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 9.059 ppm2 0.517 CV 1 OR { 2307} (( segid " " and resid 85 and name HN )) ( segid " " and resid 86 and name HD1%) OR { 2307} (( segid " " and resid 85 and name HN )) ( segid " " and resid 87 and name HG1%) OR { 2307} (( segid " " and resid 85 and name HN )) ( segid " " and resid 45 and name HG1%) ASSI { 2310} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG2 )) 3.000 1.100 1.100 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.31847E-02 ppm1 9.060 ppm2 1.270 CV 1 OR { 2310} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 2310} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) ASSI { 2311} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG )) 3.400 1.400 1.400 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.23667E-02 ppm1 9.059 ppm2 1.326 CV 1 OR { 2311} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) OR { 2311} (( segid " " and resid 85 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 2311} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 2339} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) 3.300 1.400 1.400 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 9.422 ppm2 3.066 CV 1 OR { 2339} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 2341} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HD% ) 4.600 2.600 1.400 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.63331E-03 ppm1 7.681 ppm2 6.746 CV 1 OR { 2341} (( segid " " and resid 107 and name HN )) ( segid " " and resid 108 and name HD% ) ASSI { 2342} (( segid " " and resid 111 and name HN )) (( segid " " and resid 137 and name HB2 )) 5.700 4.000 0.300 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.43217E-03 ppm1 6.976 ppm2 2.952 CV 1 OR { 2342} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HE1 )) OR { 2342} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HE2 )) OR { 2342} (( segid " " and resid 111 and name HN )) (( segid " " and resid 113 and name HB1 )) ASSI { 2348} (( segid " " and resid 119 and name HN )) ( segid " " and resid 121 and name HG1%) 4.500 2.500 1.500 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.58276E-03 ppm1 8.247 ppm2 0.932 CV 1 OR { 2348} (( segid " " and resid 119 and name HN )) ( segid " " and resid 33 and name HG2%) OR { 2348} (( segid " " and resid 119 and name HN )) ( segid " " and resid 33 and name HD1%) OR { 2348} (( segid " " and resid 119 and name HN )) ( segid " " and resid 121 and name HG2%) ASSI { 2351} (( segid " " and resid 122 and name HN )) ( segid " " and resid 41 and name HD1%) 4.400 2.400 1.600 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.70657E-03 ppm1 8.793 ppm2 0.616 CV 1 OR { 2351} (( segid " " and resid 122 and name HN )) ( segid " " and resid 43 and name HD2%) ASSI { 2352} (( segid " " and resid 123 and name HN )) ( segid " " and resid 121 and name HG2%) 4.100 2.100 1.900 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.99329E-03 ppm1 8.547 ppm2 0.894 CV 1 OR { 2352} (( segid " " and resid 123 and name HN )) ( segid " " and resid 121 and name HG1%) OR { 2352} (( segid " " and resid 123 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 2354} (( segid " " and resid 136 and name HN )) ( segid " " and resid 109 and name HG2%) 4.000 2.000 2.000 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.99341E-03 ppm1 8.826 ppm2 0.878 CV 1 OR { 2354} (( segid " " and resid 136 and name HN )) ( segid " " and resid 121 and name HG2%) OR { 2354} (( segid " " and resid 126 and name HN )) ( segid " " and resid 41 and name HG2%) OR { 2354} (( segid " " and resid 136 and name HN )) (( segid " " and resid 22 and name HG )) ASSI { 2361} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG2 )) 4.100 2.100 1.900 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.58931E-03 ppm1 6.669 ppm2 2.392 CV 1 OR { 2361} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG1 )) OR { 2361} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HB2 )) ASSI { 2385} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD2%) 3.700 1.700 1.700 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.27694E-02 ppm1 7.913 ppm2 0.665 CV 1 OR { 2385} (( segid " " and resid 25 and name HN )) ( segid " " and resid 140 and name HD2%) ASSI { 2392} (( segid " " and resid 141 and name HN )) (( segid " " and resid 138 and name HN )) 4.700 2.700 1.300 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.33212E-03 ppm1 7.112 ppm2 9.108 CV 1 OR { 2392} (( segid " " and resid 141 and name HN )) (( segid " " and resid 110 and name HN )) ASSI { 2394} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HB2 )) 4.900 3.000 1.100 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.45473E-03 ppm1 7.100 ppm2 3.132 CV 1 OR { 2394} (( segid " " and resid 141 and name HN )) (( segid " " and resid 110 and name HB1 )) ASSI { 2400} (( segid " " and resid 143 and name HN )) (( segid " " and resid 110 and name HA )) 3.300 3.300 2.700 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.40536E-03 ppm1 8.973 ppm2 4.442 CV 1 OR { 2400} (( segid " " and resid 143 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 2406} (( segid " " and resid 9 and name HN )) ( segid " " and resid 77 and name HD2%) 5.500 3.500 0.500 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.39878E-03 ppm1 9.635 ppm2 0.517 CV 1 OR { 2406} (( segid " " and resid 9 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 2406} (( segid " " and resid 9 and name HN )) ( segid " " and resid 45 and name HG1%) OR { 2406} (( segid " " and resid 9 and name HN )) ( segid " " and resid 86 and name HD1%) OR { 2406} (( segid " " and resid 108 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 2411} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HA )) 4.400 2.400 1.600 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.39859E-03 ppm1 8.090 ppm2 4.342 CV 1 OR { 2411} (( segid " " and resid 5 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 2417} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD21)) 4.600 2.700 1.400 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.48189E-03 ppm1 8.378 ppm2 7.641 CV 1 OR { 2417} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HE21)) ASSI { 2423} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.500 1.600 1.600 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.79478E-03 ppm1 8.171 ppm2 2.071 CV 1 OR { 2423} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB2 )) OR { 2423} (( segid " " and resid 8 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 2428} (( segid " " and resid 12 and name HN )) ( segid " " and resid 79 and name HD% ) 5.500 3.800 0.500 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.22521E-03 ppm1 7.982 ppm2 6.803 CV 1 OR { 2428} (( segid " " and resid 12 and name HN )) ( segid " " and resid 20 and name HE% ) OR { 2428} (( segid " " and resid 12 and name HN )) ( segid " " and resid 10 and name HE ) ASSI { 2437} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.300 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 7.312 ppm2 6.766 CV 1 OR { 2437} (( segid " " and resid 13 and name HD21)) ( segid " " and resid 20 and name HE% ) ASSI { 2439} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.300 3.300 2.700 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.40182E-03 ppm1 6.742 ppm2 2.385 CV 1 OR { 2439} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 2452} (( segid " " and resid 20 and name HN )) (( segid " " and resid 11 and name HA )) 4.600 2.600 1.400 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.39482E-03 ppm1 9.296 ppm2 4.566 CV 1 OR { 2452} (( segid " " and resid 20 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 2462} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HN )) 4.500 2.600 1.500 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.29291E-03 ppm1 8.867 ppm2 7.921 CV 1 OR { 2462} (( segid " " and resid 23 and name HN )) (( segid " " and resid 140 and name HN )) ASSI { 2463} (( segid " " and resid 23 and name HN )) ( segid " " and resid 77 and name HD1%) 4.000 2.000 2.000 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.34231E-03 ppm1 8.852 ppm2 0.514 CV 1 OR { 2463} (( segid " " and resid 23 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 2463} (( segid " " and resid 23 and name HN )) ( segid " " and resid 45 and name HG1%) OR { 2463} (( segid " " and resid 23 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 2464} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HB1 )) 5.100 3.300 0.900 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.33482E-03 ppm1 8.864 ppm2 1.628 CV 1 OR { 2464} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HD1 )) OR { 2464} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HD2 )) ASSI { 2468} (( segid " " and resid 25 and name HN )) ( segid " " and resid 45 and name HG1%) 4.300 2.300 1.700 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 7.920 ppm2 0.554 CV 1 OR { 2468} (( segid " " and resid 25 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 2470} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) 3.700 1.700 1.700 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.56641E-03 ppm1 7.913 ppm2 3.636 CV 1 OR { 2470} (( segid " " and resid 25 and name HN )) (( segid " " and resid 30 and name HA2 )) ASSI { 2472} (( segid " " and resid 26 and name HN )) ( segid " " and resid 45 and name HG1%) 4.700 2.800 1.300 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.40840E-03 ppm1 7.583 ppm2 0.546 CV 1 OR { 2472} (( segid " " and resid 26 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 2474} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.93677E-03 ppm1 7.581 ppm2 8.165 CV 1 OR { 2474} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HN )) OR { 2474} (( segid " " and resid 26 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 2476} (( segid " " and resid 26 and name HN )) (( segid " " and resid 46 and name HB1 )) 5.200 3.400 0.800 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.39018E-03 ppm1 7.560 ppm2 3.102 CV 1 OR { 2476} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 2479} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 5.600 3.900 0.400 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.20412E-03 ppm1 8.244 ppm2 9.211 CV 1 OR { 2479} (( segid " " and resid 27 and name HN )) (( segid " " and resid 31 and name HN )) ASSI { 2480} (( segid " " and resid 27 and name HN )) (( segid " " and resid 45 and name HN )) 4.300 2.400 1.700 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.83179E-03 ppm1 8.226 ppm2 8.498 CV 1 ASSI { 2481} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD1 )) 5.300 3.400 0.700 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.33831E-03 ppm1 8.227 ppm2 2.886 CV 1 OR { 2481} (( segid " " and resid 27 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 2483} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HD2%) 5.000 3.100 1.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.54762E-03 ppm1 8.228 ppm2 0.651 CV 1 OR { 2483} (( segid " " and resid 27 and name HN )) ( segid " " and resid 45 and name HG2%) OR { 2483} (( segid " " and resid 27 and name HN )) ( segid " " and resid 73 and name HD1%) OR { 2483} (( segid " " and resid 27 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 2503} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD% ) 3.600 1.600 1.600 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.20668E-02 ppm1 9.200 ppm2 7.344 CV 1 OR { 2503} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) ASSI { 2506} (( segid " " and resid 32 and name HN )) ( segid " " and resid 43 and name HD2%) 5.400 3.700 0.600 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.33207E-03 ppm1 8.720 ppm2 0.666 CV 1 OR { 2506} (( segid " " and resid 32 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 2506} (( segid " " and resid 32 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 2508} (( segid " " and resid 33 and name HN )) ( segid " " and resid 41 and name HD1%) 4.900 3.000 1.100 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.73301E-03 ppm1 9.351 ppm2 0.623 CV 1 OR { 2508} (( segid " " and resid 33 and name HN )) ( segid " " and resid 43 and name HD2%) ASSI { 2517} (( segid " " and resid 35 and name HN )) (( segid " " and resid 41 and name HG11)) 3.700 1.700 1.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.49201E-03 ppm1 8.225 ppm2 1.399 CV 1 OR { 2517} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HG11)) OR { 2517} (( segid " " and resid 35 and name HN )) (( segid " " and resid 41 and name HG12)) OR { 2517} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HG12)) ASSI { 2529} (( segid " " and resid 37 and name HN )) ( segid " " and resid 34 and name HG2%) 4.700 2.700 1.300 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.47592E-03 ppm1 8.274 ppm2 1.219 CV 1 OR { 2529} (( segid " " and resid 37 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 2532} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB2 )) 5.800 4.200 0.200 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.18370E-03 ppm1 8.307 ppm2 1.728 CV 1 OR { 2532} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB1 )) ASSI { 2541} (( segid " " and resid 42 and name HN )) ( segid " " and resid 62 and name HG2%) 5.200 3.300 0.800 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.50201E-03 ppm1 8.872 ppm2 1.181 CV 1 OR { 2541} (( segid " " and resid 42 and name HN )) ( segid " " and resid 59 and name HG2%) ASSI { 2550} (( segid " " and resid 43 and name HN )) (( segid " " and resid 59 and name HA )) 5.400 3.600 0.600 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.25295E-03 ppm1 9.367 ppm2 4.598 CV 1 OR { 2550} (( segid " " and resid 43 and name HN )) (( segid " " and resid 30 and name HA1 )) ASSI { 2552} (( segid " " and resid 44 and name HN )) ( segid " " and resid 31 and name HD% ) 5.000 3.100 1.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.40239E-03 ppm1 8.108 ppm2 7.311 CV 1 OR { 2552} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HN )) OR { 2552} (( segid " " and resid 44 and name HN )) (( segid " " and resid 30 and name HN )) ASSI { 2556} (( segid " " and resid 45 and name HN )) (( segid " " and resid 31 and name HN )) 4.600 2.600 1.400 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.51559E-03 ppm1 8.481 ppm2 9.223 CV 1 OR { 2556} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) ASSI { 2562} (( segid " " and resid 47 and name HN )) ( segid " " and resid 45 and name HG1%) 4.700 2.700 1.300 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.68858E-03 ppm1 7.272 ppm2 0.544 CV 1 OR { 2562} (( segid " " and resid 47 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 2564} (( segid " " and resid 47 and name HN )) (( segid " " and resid 75 and name HG2 )) 5.000 3.200 1.000 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.65001E-03 ppm1 7.273 ppm2 1.170 CV 1 OR { 2564} (( segid " " and resid 47 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 2568} (( segid " " and resid 49 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.300 2.300 1.700 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.53978E-03 ppm1 8.688 ppm2 1.207 CV 1 OR { 2568} (( segid " " and resid 49 and name HN )) ( segid " " and resid 57 and name HB% ) ASSI { 2577} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB2 )) 4.000 2.200 2.000 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.55621E-03 ppm1 8.166 ppm2 3.459 CV 1 ASSI { 2590} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HN )) 4.000 2.200 2.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.24473E-03 ppm1 9.661 ppm2 8.996 CV 1 ASSI { 2602} (( segid " " and resid 68 and name HN )) (( segid " " and resid 63 and name HN )) 4.400 2.500 1.600 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.46584E-03 ppm1 9.008 ppm2 8.507 CV 1 OR { 2602} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 2606} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) 4.500 2.500 1.500 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.49440E-03 ppm1 8.465 ppm2 1.291 CV 1 OR { 2606} (( segid " " and resid 69 and name HN )) ( segid " " and resid 70 and name HB% ) ASSI { 2609} (( segid " " and resid 70 and name HN )) ( segid " " and resid 59 and name HG2%) 4.400 2.400 1.600 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.67839E-03 ppm1 8.617 ppm2 1.190 CV 1 OR { 2609} (( segid " " and resid 70 and name HN )) ( segid " " and resid 57 and name HB% ) ASSI { 2615} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.600 1.600 1.300 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 8.435 ppm2 3.090 CV 1 OR { 2615} (( segid " " and resid 71 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI { 2620} (( segid " " and resid 72 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.300 1.400 1.400 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.41704E-03 ppm1 8.830 ppm2 3.289 CV 1 OR { 2620} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 2655} (( segid " " and resid 84 and name HN )) ( segid " " and resid 141 and name HB% ) 3.900 1.900 1.900 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.94267E-03 ppm1 8.305 ppm2 1.176 CV 1 OR { 2655} (( segid " " and resid 84 and name HN )) (( segid " " and resid 109 and name HB )) OR { 2655} (( segid " " and resid 84 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 2667} (( segid " " and resid 86 and name HN )) (( segid " " and resid 106 and name HB1 )) 4.400 2.400 1.600 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.52164E-03 ppm1 8.504 ppm2 3.076 CV 1 OR { 2667} (( segid " " and resid 86 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 2698} (( segid " " and resid 45 and name HN )) (( segid " " and resid 26 and name HA )) 3.800 1.800 1.500 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.80425E-03 ppm1 8.454 ppm2 4.328 CV 1 ASSI { 2701} (( segid " " and resid 45 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.800 1.800 1.800 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.23664E-02 ppm1 8.486 ppm2 1.713 CV 1 ASSI { 2704} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HD% ) 4.100 2.100 1.900 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.50992E-03 ppm1 9.422 ppm2 6.964 CV 1 OR { 2704} (( segid " " and resid 106 and name HN )) ( segid " " and resid 133 and name HD% ) ASSI { 2707} (( segid " " and resid 106 and name HN )) (( segid " " and resid 86 and name HB2 )) 4.800 2.900 1.200 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.39246E-03 ppm1 9.425 ppm2 1.289 CV 1 OR { 2707} (( segid " " and resid 106 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 2707} (( segid " " and resid 106 and name HN )) (( segid " " and resid 85 and name HG2 )) ASSI { 2713} (( segid " " and resid 107 and name HN )) ( segid " " and resid 123 and name HD1%) 5.300 3.500 0.700 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.28939E-03 ppm1 7.673 ppm2 0.681 CV 1 OR { 2713} (( segid " " and resid 107 and name HN )) ( segid " " and resid 123 and name HD2%) OR { 2713} (( segid " " and resid 107 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 2721} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 3.200 1.300 1.300 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.93514E-03 ppm1 9.146 ppm2 8.326 CV 1 OR { 2721} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) ASSI { 2728} (( segid " " and resid 111 and name HN )) (( segid " " and resid 137 and name HB1 )) 5.100 3.300 0.900 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.28986E-03 ppm1 6.979 ppm2 3.348 CV 1 OR { 2728} (( segid " " and resid 111 and name HN )) (( segid " " and resid 142 and name HB1 )) ASSI { 2731} (( segid " " and resid 110 and name HN )) (( segid " " and resid 141 and name HN )) 5.400 3.600 0.600 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.26396E-03 ppm1 9.174 ppm2 7.090 CV 1 OR { 2731} (( segid " " and resid 112 and name HN )) (( segid " " and resid 141 and name HN )) ASSI { 2733} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HE1 )) 5.500 3.800 0.500 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.43929E-03 ppm1 9.182 ppm2 2.941 CV 1 OR { 2733} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HE2 )) OR { 2733} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HB1 )) OR { 2733} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HB1 )) OR { 2733} (( segid " " and resid 112 and name HN )) (( segid " " and resid 137 and name HB2 )) ASSI { 2743} (( segid " " and resid 115 and name HN )) (( segid " " and resid 117 and name HB1 )) 5.400 3.700 0.600 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.33988E-03 ppm1 8.589 ppm2 2.823 CV 1 OR { 2743} (( segid " " and resid 115 and name HN )) (( segid " " and resid 117 and name HB2 )) OR { 2743} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HB1 )) ASSI { 2757} (( segid " " and resid 119 and name HN )) ( segid " " and resid 114 and name HB% ) 4.400 2.400 1.600 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.39482E-03 ppm1 8.253 ppm2 1.573 CV 1 OR { 2757} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HB1 )) ASSI { 2768} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA2 )) 3.300 1.500 1.000 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.58664E-03 ppm1 8.838 ppm2 4.029 CV 1 OR { 2768} (( segid " " and resid 72 and name HN )) (( segid " " and resid 57 and name HA )) OR { 2768} (( segid " " and resid 72 and name HN )) (( segid " " and resid 91 and name HA1 )) OR { 2768} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HA )) ASSI { 2770} (( segid " " and resid 132 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.500 2.500 1.500 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.48033E-03 ppm1 7.764 ppm2 4.018 CV 1 OR { 2770} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HA )) ASSI { 2772} (( segid " " and resid 134 and name HN )) (( segid " " and resid 105 and name HB1 )) 4.600 2.600 1.400 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.23818E-03 ppm1 9.093 ppm2 3.074 CV 1 OR { 2772} (( segid " " and resid 134 and name HN )) (( segid " " and resid 106 and name HB1 )) ASSI { 2774} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 117 and name HB2 )) 3.200 3.200 2.800 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.35388E-03 ppm1 9.788 ppm2 2.862 CV 1 OR { 2774} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 117 and name HB1 )) OR { 2774} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 27 and name HD1 )) ASSI { 2775} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 25 and name HB2 )) 4.700 2.700 1.300 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.27834E-03 ppm1 9.787 ppm2 1.233 CV 1 OR { 2775} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 22 and name HB1 )) OR { 2775} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 140 and name HG )) ASSI { 2783} (( segid " " and resid 9 and name HN )) (( segid " " and resid 75 and name HB2 )) 4.700 2.800 1.300 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.51338E-03 ppm1 9.638 ppm2 2.098 CV 1 OR { 2783} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB2 )) OR { 2783} (( segid " " and resid 108 and name HN )) (( segid " " and resid 106 and name HB2 )) ASSI { 2784} (( segid " " and resid 108 and name HN )) (( segid " " and resid 85 and name HG1 )) 4.400 2.400 1.600 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.74720E-03 ppm1 9.634 ppm2 1.294 CV 1 OR { 2784} (( segid " " and resid 108 and name HN )) (( segid " " and resid 84 and name HB2 )) OR { 2784} (( segid " " and resid 108 and name HN )) (( segid " " and resid 84 and name HG )) OR { 2784} (( segid " " and resid 108 and name HN )) (( segid " " and resid 86 and name HB2 )) OR { 2784} (( segid " " and resid 9 and name HN )) (( segid " " and resid 77 and name HG )) OR { 2784} (( segid " " and resid 9 and name HN )) ( segid " " and resid 47 and name HB% ) OR { 2784} (( segid " " and resid 9 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 2785} (( segid " " and resid 9 and name HN )) (( segid " " and resid 75 and name HG1 )) 3.800 1.800 1.800 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.79908E-03 ppm1 9.625 ppm2 1.208 CV 1 OR { 2785} (( segid " " and resid 108 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 2785} (( segid " " and resid 9 and name HN )) (( segid " " and resid 75 and name HG2 )) OR { 2785} (( segid " " and resid 108 and name HN )) ( segid " " and resid 141 and name HB% ) OR { 2785} (( segid " " and resid 108 and name HN )) (( segid " " and resid 85 and name HG2 )) OR { 2785} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HB )) ASSI { 2799} (( segid " " and resid 12 and name HN )) (( segid " " and resid 19 and name HA )) 4.800 2.800 1.200 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.52518E-03 ppm1 7.990 ppm2 4.251 CV 1 OR { 2799} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 2803} (( segid " " and resid 30 and name HN )) (( segid " " and resid 45 and name HN )) 5.500 3.500 0.500 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.37778E-03 ppm1 7.371 ppm2 8.467 CV 1 OR { 2803} (( segid " " and resid 30 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 2807} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name HB1 )) 5.500 3.500 0.500 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.23902E-03 ppm1 9.344 ppm2 1.645 CV 1 OR { 2807} (( segid " " and resid 33 and name HN )) (( segid " " and resid 120 and name HG1 )) OR { 2807} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 2809} (( segid " " and resid 33 and name HN )) ( segid " " and resid 41 and name HD1%) 5.000 3.100 1.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.59341E-03 ppm1 9.329 ppm2 0.630 CV 1 OR { 2809} (( segid " " and resid 33 and name HN )) ( segid " " and resid 43 and name HD2%) OR { 2809} (( segid " " and resid 33 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 2817} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG1 )) 5.300 3.500 0.700 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.45659E-03 ppm1 8.323 ppm2 1.313 CV 1 OR { 2817} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG2 )) ASSI { 2821} (( segid " " and resid 40 and name HN )) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.52441E-03 ppm1 8.160 ppm2 8.994 CV 1 OR { 2821} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HE )) OR { 2821} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) ASSI { 2825} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.54206E-03 ppm1 8.124 ppm2 4.598 CV 1 OR { 2825} (( segid " " and resid 44 and name HN )) (( segid " " and resid 59 and name HA )) ASSI { 2826} (( segid " " and resid 45 and name HN )) (( segid " " and resid 47 and name HN )) 3.700 1.800 1.800 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.11761E-02 ppm1 8.498 ppm2 7.296 CV 1 OR { 2826} (( segid " " and resid 45 and name HN )) ( segid " " and resid 31 and name HD% ) OR { 2826} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HE% ) ASSI { 2829} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HD21)) 4.400 2.400 1.600 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.33455E-03 ppm1 8.495 ppm2 7.590 CV 1 OR { 2829} (( segid " " and resid 45 and name HN )) (( segid " " and resid 26 and name HN )) ASSI { 2833} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.700 0.900 0.900 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.22086E-02 ppm1 8.494 ppm2 4.228 CV 1 OR { 2833} (( segid " " and resid 45 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 2836} (( segid " " and resid 145 and name HN )) (( segid " " and resid 110 and name HN )) 2.800 2.800 3.200 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.76317E-03 ppm1 8.583 ppm2 9.152 CV 1 OR { 2836} (( segid " " and resid 145 and name HN )) (( segid " " and resid 112 and name HN )) ASSI { 2846} (( segid " " and resid 56 and name HN )) (( segid " " and resid 72 and name HB1 )) 5.000 3.100 1.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.42537E-03 ppm1 8.421 ppm2 1.945 CV 1 OR { 2846} (( segid " " and resid 56 and name HN )) (( segid " " and resid 48 and name HB1 )) OR { 2846} (( segid " " and resid 56 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 2850} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.500 2.500 1.500 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.65716E-03 ppm1 7.569 ppm2 2.785 CV 1 OR { 2850} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 2850} (( segid " " and resid 26 and name HN )) (( segid " " and resid 4 and name HB2 )) OR { 2850} (( segid " " and resid 26 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI { 2851} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HE2 )) 5.400 3.700 0.600 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.45648E-03 ppm1 7.582 ppm2 2.973 CV 1 OR { 2851} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HE1 )) OR { 2851} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HE2 )) OR { 2851} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HE1 )) ASSI { 2852} (( segid " " and resid 26 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.400 2.400 1.600 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.41970E-03 ppm1 7.572 ppm2 2.878 CV 1 OR { 2852} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HD1 )) OR { 2852} (( segid " " and resid 26 and name HN )) (( segid " " and resid 75 and name HE2 )) OR { 2852} (( segid " " and resid 26 and name HN )) (( segid " " and resid 75 and name HE1 )) ASSI { 2854} (( segid " " and resid 58 and name HN )) (( segid " " and resid 49 and name HN )) 5.600 3.900 0.400 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.21621E-03 ppm1 9.657 ppm2 8.701 CV 1 OR { 2854} (( segid " " and resid 58 and name HN )) (( segid " " and resid 92 and name HN )) OR { 2854} (( segid " " and resid 58 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 2857} (( segid " " and resid 59 and name HN )) (( segid " " and resid 71 and name HN )) 4.300 2.300 1.700 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.28075E-03 ppm1 6.891 ppm2 8.441 CV 1 OR { 2857} (( segid " " and resid 59 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 2863} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 5.700 4.000 0.300 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.31230E-03 ppm1 9.754 ppm2 2.611 CV 1 OR { 2863} (( segid " " and resid 61 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 2875} (( segid " " and resid 70 and name HN )) (( segid " " and resid 59 and name HB )) 3.900 1.900 1.900 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.21220E-03 ppm1 8.641 ppm2 1.902 CV 1 OR { 2875} (( segid " " and resid 70 and name HN )) (( segid " " and resid 43 and name HB2 )) ASSI { 2901} (( segid " " and resid 81 and name HN )) ( segid " " and resid 79 and name HD% ) 3.900 2.900 2.100 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 9.078 ppm2 6.762 CV 1 ASSI { 2905} (( segid " " and resid 85 and name HN )) ( segid " " and resid 108 and name HD% ) 4.800 2.900 1.200 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.25318E-03 ppm1 9.044 ppm2 6.750 CV 1 OR { 2905} (( segid " " and resid 85 and name HN )) ( segid " " and resid 105 and name HE% ) ASSI { 2909} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG )) 4.700 2.700 1.300 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.56443E-03 ppm1 8.502 ppm2 0.866 CV 1 OR { 2909} (( segid " " and resid 86 and name HN )) ( segid " " and resid 83 and name HG1%) OR { 2909} (( segid " " and resid 86 and name HN )) ( segid " " and resid 83 and name HG2%) ASSI { 2911} (( segid " " and resid 87 and name HN )) ( segid " " and resid 106 and name HD% ) 5.400 3.600 0.600 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.28451E-03 ppm1 8.769 ppm2 6.733 CV 1 OR { 2911} (( segid " " and resid 87 and name HN )) ( segid " " and resid 105 and name HE% ) OR { 2911} (( segid " " and resid 87 and name HN )) ( segid " " and resid 108 and name HD% ) ASSI { 2925} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.500 1.500 1.500 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.92780E-03 ppm1 8.484 ppm2 3.043 CV 1 OR { 2925} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) ASSI { 2926} (( segid " " and resid 45 and name HN )) (( segid " " and resid 31 and name HA )) 4.200 2.200 1.800 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.34502E-03 ppm1 8.481 ppm2 4.793 CV 1 OR { 2926} (( segid " " and resid 103 and name HN )) (( segid " " and resid 87 and name HA )) OR { 2926} (( segid " " and resid 45 and name HN )) (( segid " " and resid 106 and name HA )) OR { 2926} (( segid " " and resid 45 and name HN )) (( segid " " and resid 87 and name HA )) ASSI { 2929} (( segid " " and resid 104 and name HN )) ( segid " " and resid 105 and name HD% ) 5.300 3.500 0.700 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.24830E-03 ppm1 9.095 ppm2 6.984 CV 1 OR { 2929} (( segid " " and resid 104 and name HN )) ( segid " " and resid 133 and name HD% ) ASSI { 2931} (( segid " " and resid 105 and name HN )) ( segid " " and resid 134 and name HD% ) 4.900 3.000 1.100 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.21379E-03 ppm1 9.349 ppm2 6.627 CV 1 OR { 2931} (( segid " " and resid 105 and name HN )) (( segid " " and resid 122 and name HD% )) ASSI { 2938} (( segid " " and resid 108 and name HN )) (( segid " " and resid 83 and name HA )) 5.000 3.200 1.000 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.35911E-03 ppm1 9.665 ppm2 4.433 CV 1 OR { 2938} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HA )) ASSI { 2945} (( segid " " and resid 121 and name HN )) ( segid " " and resid 134 and name HD% ) 5.800 4.200 0.200 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.16425E-03 ppm1 8.747 ppm2 6.625 CV 1 OR { 2945} (( segid " " and resid 121 and name HN )) ( segid " " and resid 122 and name HD% ) ASSI { 2964} (( segid " " and resid 130 and name HN )) (( segid " " and resid 127 and name HN )) 5.300 3.500 0.700 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.18017E-03 ppm1 7.753 ppm2 8.869 CV 1 OR { 2964} (( segid " " and resid 130 and name HN )) (( segid " " and resid 126 and name HN )) ASSI { 2967} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HA )) 5.600 3.900 0.400 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.33230E-03 ppm1 7.623 ppm2 3.570 CV 1 OR { 2967} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 37 and name HB1 )) ASSI { 2970} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 37 and name HA )) 5.100 3.300 0.900 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.17920E-03 ppm1 6.827 ppm2 4.778 CV 1 OR { 2970} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 4 and name HA )) ASSI { 2974} (( segid " " and resid 46 and name HN )) ( segid " " and resid 47 and name HB% ) 4.900 3.000 1.100 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.43427E-03 ppm1 8.295 ppm2 1.256 CV 1 OR { 2974} (( segid " " and resid 46 and name HN )) (( segid " " and resid 75 and name HG1 )) OR { 2974} (( segid " " and resid 46 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 2974} (( segid " " and resid 46 and name HN )) (( segid " " and resid 86 and name HB2 )) OR { 2974} (( segid " " and resid 46 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 2976} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 46 and name HB2 )) 5.700 4.100 0.300 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.28839E-03 ppm1 6.854 ppm2 4.024 CV 1 OR { 2976} (( segid " " and resid 128 and name HE21)) (( segid " " and resid 128 and name HA )) ASSI { 2978} (( segid " " and resid 21 and name HN )) (( segid " " and resid 140 and name HB1 )) 4.100 2.100 1.900 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.32863E-03 ppm1 8.573 ppm2 1.442 CV 1 OR { 2978} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HB1 )) OR { 2978} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HG )) OR { 2978} (( segid " " and resid 21 and name HN )) (( segid " " and resid 140 and name HB2 )) ASSI { 2986} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 6 and name HA )) 5.000 3.100 1.000 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.20955E-03 ppm1 7.658 ppm2 4.336 CV 1 OR { 2986} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 26 and name HA )) ASSI { 2987} (( segid " " and resid 4 and name HD22)) (( segid " " and resid 6 and name HA )) 5.800 4.100 0.200 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.13208E-03 ppm1 6.953 ppm2 4.330 CV 1 OR { 2987} (( segid " " and resid 4 and name HD22)) (( segid " " and resid 26 and name HA )) OR { 2987} (( segid " " and resid 4 and name HD22)) (( segid " " and resid 25 and name HA )) ASSI { 2988} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 6 and name HB2 )) 5.400 3.700 0.600 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.46972E-03 ppm1 6.815 ppm2 2.121 CV 1 OR { 2988} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 48 and name HG2 )) OR { 2988} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 48 and name HG1 )) OR { 2988} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 75 and name HB2 )) ASSI { 2989} (( segid " " and resid 119 and name HE21)) (( segid " " and resid 119 and name HB1 )) 4.700 2.800 1.300 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.44416E-03 ppm1 6.826 ppm2 2.043 CV 1 OR { 2989} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 6 and name HB1 )) ASSI { 2996} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HD21)) 4.300 2.300 1.700 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.39189E-03 ppm1 8.173 ppm2 7.630 CV 1 OR { 2996} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HE21)) ASSI { 3001} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HA )) 5.100 3.200 0.900 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.33598E-03 ppm1 9.088 ppm2 4.564 CV 1 OR { 3001} (( segid " " and resid 138 and name HN )) (( segid " " and resid 111 and name HA )) OR { 3001} (( segid " " and resid 138 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 3007} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 26 and name HB2 )) 5.700 4.000 0.300 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.26166E-03 ppm1 7.591 ppm2 1.892 CV 1 OR { 3007} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 48 and name HB1 )) OR { 3007} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 43 and name HB2 )) ASSI { 3013} (( segid " " and resid 111 and name HN )) (( segid " " and resid 139 and name HB2 )) 4.700 2.700 1.300 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.39943E-03 ppm1 6.968 ppm2 4.230 CV 1 OR { 3013} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HA )) ASSI { 3029} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 3.100 1.300 1.000 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.14546E-02 ppm1 8.565 ppm2 4.689 CV 1 OR { 3029} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HA )) ASSI { 3035} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 16 and name HB )) 4.000 2.200 2.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.29463E-03 ppm1 7.306 ppm2 4.354 CV 1 OR { 3035} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HA )) ASSI { 2237} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 98 and name HD1%) 3.800 1.800 2.500 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 2.377 ppm2 0.925 CV 1 OR { 2237} (( segid " " and resid 128 and name HG2 )) ( segid " " and resid 98 and name HD1%) OR { 2237} (( segid " " and resid 128 and name HG2 )) ( segid " " and resid 98 and name HD2%) OR { 2237} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 98 and name HD2%) OR { 2237} (( segid " " and resid 6 and name HG1 )) ( segid " " and resid 5 and name HG2%) OR { 2237} (( segid " " and resid 6 and name HG1 )) ( segid " " and resid 5 and name HG1%) OR { 2237} (( segid " " and resid 6 and name HG2 )) ( segid " " and resid 5 and name HG2%) OR { 2237} (( segid " " and resid 6 and name HG2 )) ( segid " " and resid 5 and name HG1%) ASSI { 2240} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 129 and name HB )) 2.800 1.000 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.58892E-02 ppm1 2.374 ppm2 4.339 CV 1 OR { 2240} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 129 and name HB )) OR { 2240} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HA )) ASSI { 2960} (( segid " " and resid 128 and name HA )) ( segid " " and resid 96 and name HG2%) 3.000 1.200 1.000 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.40095E-02 ppm1 4.013 ppm2 1.254 CV 1 OR { 2960} (( segid " " and resid 122 and name HA )) ( segid " " and resid 123 and name HB1 )
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