NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
532225 | 2l21 | 17110 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HN )) 4.300 2.300 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 -0.447 ppm2 8.196 CV 1 ASSI { 4} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 108 and name HD% ) 3.000 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.18551E-02 ppm1 -0.450 ppm2 6.732 CV 1 ASSI { 5} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 108 and name HE% ) 3.000 1.200 1.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.22868E-02 ppm1 -0.449 ppm2 6.454 CV 1 ASSI { 7} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HA )) 2.800 1.000 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.26005E-02 ppm1 -0.449 ppm2 4.361 CV 1 ASSI { 10} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 140 and name HB1 )) 3.300 1.400 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.70589E-03 ppm1 -0.449 ppm2 1.455 CV 1 OR { 10} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 140 and name HB2 )) ASSI { 12} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HG )) 2.000 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.77995E-02 ppm1 -0.450 ppm2 0.926 CV 1 ASSI { 19} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 22 and name HD1%) 2.800 1.000 0.500 peak 19 spectrum 1 weight 0.11000E+01 volume 0.17454E-01 ppm1 -0.450 ppm2 -0.014 CV 1 ASSI { 35} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HN )) 4.300 2.300 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.12636E-02 ppm1 0.543 ppm2 9.767 CV 1 ASSI { 36} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 62 and name HN )) 3.300 1.500 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.29394E-02 ppm1 0.541 ppm2 9.659 CV 1 ASSI { 38} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 42 and name HN )) 5.000 3.200 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.58527E-03 ppm1 0.545 ppm2 8.884 CV 1 ASSI { 40} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 40 and name HN )) 4.000 2.200 2.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.99431E-03 ppm1 0.542 ppm2 8.165 CV 1 ASSI { 44} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 41 and name HA )) 3.700 1.700 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.72449E-03 ppm1 0.546 ppm2 4.709 CV 1 ASSI { 47} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 63 and name HB1 )) 4.200 2.200 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.73584E-03 ppm1 0.539 ppm2 2.791 CV 1 ASSI { 49} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 63 and name HB2 )) 3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.12209E-02 ppm1 0.540 ppm2 1.999 CV 1 ASSI { 51} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HB )) 2.100 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.73263E-02 ppm1 0.542 ppm2 1.697 CV 1 ASSI { 52} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 41 and name HG12)) 2.600 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.22672E-02 ppm1 0.541 ppm2 1.408 CV 1 OR { 52} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 41 and name HG11)) ASSI { 56} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 41 and name HG2%) 3.300 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.46724E-02 ppm1 0.541 ppm2 0.874 CV 1 ASSI { 57} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 61 and name HD1%) 2.500 0.700 0.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.12220E-01 ppm1 0.543 ppm2 0.694 CV 1 ASSI { 69} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 68 and name HN )) 4.800 2.800 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.59277E-03 ppm1 0.700 ppm2 8.997 CV 1 ASSI { 70} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 134 and name HE% ) 3.300 1.400 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 0.694 ppm2 7.098 CV 1 ASSI { 71} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HA )) 3.000 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 0.695 ppm2 4.918 CV 1 ASSI { 73} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HB )) 3.100 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.42404E-02 ppm1 0.695 ppm2 1.696 CV 1 ASSI { 74} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HG12)) 2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.47801E-02 ppm1 0.695 ppm2 1.607 CV 1 OR { 74} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HG11)) ASSI { 75} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 41 and name HG12)) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11819E-02 ppm1 0.700 ppm2 1.418 CV 1 OR { 75} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 41 and name HG11)) ASSI { 78} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 59 and name HG2%) 4.200 2.200 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.91600E-03 ppm1 0.702 ppm2 1.164 CV 1 ASSI { 85} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 68 and name HD1%) 5.000 3.200 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.67234E-03 ppm1 0.702 ppm2 0.331 CV 1 ASSI { 89} ( segid " " and resid 131 and name HG2%) ( segid " " and resid 105 and name HD% ) 3.300 1.500 2.000 peak 89 spectrum 1 weight 0.11000E+01 volume 0.21161E-02 ppm1 0.336 ppm2 6.963 CV 1 ASSI { 90} ( segid " " and resid 131 and name HG2%) ( segid " " and resid 105 and name HE% ) 4.000 2.200 2.000 peak 90 spectrum 1 weight 0.11000E+01 volume 0.11122E-02 ppm1 0.336 ppm2 6.733 CV 1 ASSI { 91} ( segid " " and resid 131 and name HG2%) ( segid " " and resid 133 and name HE% ) 4.000 2.200 2.000 peak 91 spectrum 1 weight 0.11000E+01 volume 0.86195E-03 ppm1 0.337 ppm2 6.245 CV 1 ASSI { 92} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 131 and name HA )) 3.300 1.500 1.300 peak 92 spectrum 1 weight 0.10000E+01 volume 0.12048E-02 ppm1 0.335 ppm2 4.951 CV 1 ASSI { 93} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 131 and name HB )) 2.900 1.000 1.000 peak 93 spectrum 1 weight 0.11000E+01 volume 0.14149E-02 ppm1 0.336 ppm2 3.513 CV 1 ASSI { 109} (( segid " " and resid 78 and name HB )) (( segid " " and resid 79 and name HN )) 3.300 1.500 1.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.30733E-02 ppm1 4.084 ppm2 8.876 CV 1 ASSI { 110} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HN )) 3.100 1.200 1.200 peak 110 spectrum 1 weight 0.11000E+01 volume 0.12860E-02 ppm1 4.085 ppm2 8.708 CV 1 ASSI { 111} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HN )) 2.600 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.24148E-02 ppm1 4.085 ppm2 8.330 CV 1 ASSI { 113} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.35085E-02 ppm1 4.088 ppm2 5.484 CV 1 ASSI { 115} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.11000E+01 volume 0.25009E-02 ppm1 4.087 ppm2 4.767 CV 1 ASSI { 121} (( segid " " and resid 78 and name HB )) (( segid " " and resid 85 and name HB2 )) 3.800 1.800 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12305E-02 ppm1 4.091 ppm2 1.630 CV 1 OR { 121} (( segid " " and resid 78 and name HB )) (( segid " " and resid 85 and name HB1 )) ASSI { 122} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.11000E+01 volume 0.11834E-01 ppm1 4.085 ppm2 1.190 CV 1 ASSI { 123} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 131 and name HA )) 4.100 2.100 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 3.980 ppm2 4.971 CV 1 ASSI { 124} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB1 )) 1.600 0.300 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.10739E-01 ppm1 3.981 ppm2 3.747 CV 1 ASSI { 128} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 131 and name HA )) 3.800 1.800 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.20246E-02 ppm1 3.746 ppm2 4.972 CV 1 ASSI { 145} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 13 and name HD22)) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.12972E-02 ppm1 1.534 ppm2 9.454 CV 1 ASSI { 146} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 139 and name HN )) 3.000 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.26157E-02 ppm1 1.563 ppm2 9.369 CV 1 ASSI { 148} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 17 and name HN )) 4.500 2.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 1.534 ppm2 8.736 CV 1 ASSI { 149} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 115 and name HN )) 2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.44876E-02 ppm1 1.561 ppm2 8.582 CV 1 ASSI { 151} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 15 and name HN )) 2.000 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.18168E-01 ppm1 1.541 ppm2 7.755 CV 1 ASSI { 152} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 13 and name HD21)) 3.700 1.700 1.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 1.537 ppm2 7.315 CV 1 ASSI { 154} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HN )) 4.400 2.400 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.69866E-03 ppm1 1.556 ppm2 6.960 CV 1 ASSI { 155} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.55473E-02 ppm1 1.537 ppm2 6.744 CV 1 ASSI { 156} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 138 and name HA )) 2.500 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.35471E-02 ppm1 1.560 ppm2 5.196 CV 1 ASSI { 159} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 114 and name HA )) 2.000 0.500 0.500 peak 159 spectrum 1 weight 0.11000E+01 volume 0.15448E-01 ppm1 1.559 ppm2 4.392 CV 1 ASSI { 168} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 13 and name HB2 )) 4.500 2.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.94058E-03 ppm1 1.532 ppm2 2.372 CV 1 OR { 168} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 14 and name HB1 )) ASSI { 169} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 14 and name HG2 )) 2.900 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 1.535 ppm2 2.166 CV 1 ASSI { 171} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HB1 )) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.35831E-02 ppm1 1.562 ppm2 1.825 CV 1 OR { 171} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 111 and name HB2 )) ASSI { 246} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 45 and name HA )) 3.700 1.700 1.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.57896E-03 ppm1 0.859 ppm2 3.707 CV 1 OR { 246} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 48 and name HA )) OR { 246} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 56 and name HA1 )) ASSI { 255} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 136 and name HE1 )) 3.600 1.600 1.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.12155E-02 ppm1 0.668 ppm2 9.791 CV 1 ASSI { 256} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.24070E-02 ppm1 0.668 ppm2 7.913 CV 1 ASSI { 257} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 26 and name HN )) 4.800 2.900 1.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.51635E-03 ppm1 0.666 ppm2 7.574 CV 1 ASSI { 268} ( segid " " and resid 25 and name HD2%) ( segid " " and resid 25 and name HD1%) 2.200 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.14299E-01 ppm1 0.669 ppm2 -0.009 CV 1 ASSI { 276} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 77 and name HN )) 3.300 1.500 1.000 peak 276 spectrum 1 weight 0.11000E+01 volume 0.48405E-02 ppm1 1.228 ppm2 8.897 CV 1 ASSI { 292} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HN )) 4.300 2.300 1.700 peak 292 spectrum 1 weight 0.11000E+01 volume 0.12642E-02 ppm1 1.173 ppm2 9.653 CV 1 ASSI { 300} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 300 spectrum 1 weight 0.10000E+01 volume 0.52982E-02 ppm1 1.158 ppm2 5.498 CV 1 ASSI { 321} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 106 and name HN )) 4.900 3.000 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.68797E-03 ppm1 0.768 ppm2 9.425 CV 1 ASSI { 322} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HN )) 3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.34502E-02 ppm1 0.767 ppm2 9.224 CV 1 ASSI { 323} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HN )) 2.800 1.000 1.000 peak 323 spectrum 1 weight 0.11000E+01 volume 0.22083E-02 ppm1 0.767 ppm2 8.766 CV 1 ASSI { 324} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 105 and name HD% ) 4.000 2.000 2.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.17370E-02 ppm1 0.767 ppm2 6.966 CV 1 ASSI { 327} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 105 and name HA )) 4.300 2.300 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 0.766 ppm2 5.076 CV 1 ASSI { 328} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HA )) 3.000 1.200 1.200 peak 328 spectrum 1 weight 0.11000E+01 volume 0.32591E-02 ppm1 0.766 ppm2 4.844 CV 1 ASSI { 329} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 106 and name HB1 )) 5.100 3.300 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 0.768 ppm2 3.103 CV 1 OR { 329} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 103 and name HE1 )) OR { 329} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 103 and name HE2 )) ASSI { 330} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HG1 )) 3.300 1.500 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.32387E-02 ppm1 0.767 ppm2 2.290 CV 1 ASSI { 331} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HG2 )) 3.600 1.600 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.27265E-02 ppm1 0.766 ppm2 2.216 CV 1 OR { 331} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 89 and name HB1 )) ASSI { 334} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HB )) 2.100 0.600 0.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.11090E-01 ppm1 0.766 ppm2 1.815 CV 1 ASSI { 342} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HB1 )) 5.200 3.300 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.77443E-03 ppm1 1.426 ppm2 3.099 CV 1 ASSI { 367} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 100 and name HN )) 3.700 1.700 1.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.20764E-02 ppm1 2.105 ppm2 8.567 CV 1 ASSI { 2029} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 100 and name HA )) 4.100 2.100 1.900 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 2.105 ppm2 4.675 CV 1 ASSI { 396} ( segid " " and resid 100 and name HE% ) ( segid " " and resid 129 and name HG2%) 3.000 1.200 2.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.83639E-02 ppm1 2.104 ppm2 1.083 CV 1 ASSI { 903} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.800 1.800 1.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.19013E-02 ppm1 7.094 ppm2 2.399 CV 1 ASSI { 905} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG1 )) 4.100 2.100 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.16925E-02 ppm1 7.093 ppm2 2.131 CV 1 ASSI { 4541} ( segid " " and resid 83 and name HB ) ( segid " " and resid 85 and name HE2) 4.000 2.200 2.000 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.83639E-02 ppm1 2.007 ppm2 2.719 CV 1 OR { 4541} ( segid " " and resid 83 and name HB ) ( segid " " and resid 85 and name HE1) ASSI { 405} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 30 and name HN )) 3.900 1.900 1.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.85085E-03 ppm1 2.894 ppm2 7.339 CV 1 ASSI { 406} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HE )) 2.900 1.100 1.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.16818E-02 ppm1 2.885 ppm2 6.838 CV 1 ASSI { 408} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HA )) 3.300 1.300 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.92403E-03 ppm1 2.917 ppm2 5.032 CV 1 ASSI { 409} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HA )) 4.800 2.900 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.10432E-02 ppm1 2.893 ppm2 4.887 CV 1 ASSI { 410} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HD2 )) 1.500 0.300 0.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.10778E-01 ppm1 2.889 ppm2 2.501 CV 1 ASSI { 411} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HB2 )) 2.200 0.600 0.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.28263E-02 ppm1 2.908 ppm2 2.178 CV 1 ASSI { 416} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 99 and name HN )) 3.300 1.500 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.80612E-03 ppm1 1.695 ppm2 8.235 CV 1 ASSI { 420} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 97 and name HA )) 4.400 2.500 1.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 1.691 ppm2 4.484 CV 1 ASSI { 422} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HA )) 2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.40639E-02 ppm1 1.700 ppm2 4.364 CV 1 ASSI { 439} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HB2 )) 2.100 0.600 0.600 peak 439 spectrum 1 weight 0.11000E+01 volume 0.29873E-02 ppm1 2.779 ppm2 1.999 CV 1 ASSI { 443} (( segid " " and resid 85 and name HE2 )) (( segid " " and resid 85 and name HB1 )) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.22509E-02 ppm1 2.781 ppm2 1.574 CV 1 OR { 443} (( segid " " and resid 85 and name HE2 )) (( segid " " and resid 85 and name HB2 )) ASSI { 444} (( segid " " and resid 85 and name HE1 )) (( segid " " and resid 85 and name HG1 )) 2.600 2.600 3.400 peak 444 spectrum 1 weight 0.11000E+01 volume 0.33442E-02 ppm1 2.781 ppm2 1.260 CV 1 ASSI { 445} (( segid " " and resid 85 and name HE2 )) ( segid " " and resid 83 and name HG1%) 3.000 1.200 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.30145E-02 ppm1 2.781 ppm2 0.861 CV 1 OR { 445} (( segid " " and resid 85 and name HE2 )) ( segid " " and resid 83 and name HG2%) ASSI { 447} (( segid " " and resid 126 and name HB1 )) ( segid " " and resid 133 and name HE% ) 3.400 1.400 1.400 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10297E-02 ppm1 2.705 ppm2 6.241 CV 1 OR { 447} (( segid " " and resid 126 and name HB2 )) ( segid " " and resid 133 and name HE% ) ASSI { 449} (( segid " " and resid 85 and name HE1 )) (( segid " " and resid 85 and name HB2 )) 3.800 1.800 1.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.22550E-02 ppm1 2.717 ppm2 1.569 CV 1 OR { 449} (( segid " " and resid 85 and name HE1 )) (( segid " " and resid 85 and name HB1 )) ASSI { 450} (( segid " " and resid 85 and name HE1 )) (( segid " " and resid 85 and name HD2 )) 3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.15324E-02 ppm1 2.710 ppm2 1.461 CV 1 OR { 450} (( segid " " and resid 85 and name HE1 )) (( segid " " and resid 85 and name HD1 )) ASSI { 466} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HA )) 2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.19664E-02 ppm1 2.717 ppm2 4.228 CV 1 ASSI { 471} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) 4.200 2.200 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.77462E-03 ppm1 2.801 ppm2 8.087 CV 1 ASSI { 472} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HD21)) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.23003E-02 ppm1 2.804 ppm2 7.611 CV 1 ASSI { 479} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.27905E-02 ppm1 2.065 ppm2 4.340 CV 1 OR { 479} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 80 and name HA )) ASSI { 486} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.500 2.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.59973E-03 ppm1 2.430 ppm2 7.293 CV 1 ASSI { 489} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HA )) 2.700 2.700 3.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 2.428 ppm2 4.366 CV 1 ASSI { 2242} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HE21)) 2.800 1.000 3.200 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 2.428 ppm2 4.366 CV 1 OR { 2242} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HE21)) ASSI { 2241} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HE22)) 3.000 1.000 3.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 2.428 ppm2 4.366 CV 1 OR { 2241} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HE22)) ASSI { 508} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 48 and name HN )) 3.800 3.800 2.200 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17242E-02 ppm1 2.092 ppm2 8.482 CV 1 ASSI { 511} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) 3.300 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.42277E-02 ppm1 2.097 ppm2 8.090 CV 1 ASSI { 513} (( segid " " and resid 5 and name HB )) (( segid " " and resid 5 and name HA )) 3.500 3.500 2.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.40397E-02 ppm1 2.098 ppm2 4.165 CV 1 ASSI { 514} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD1 )) 4.200 2.200 1.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.13541E-02 ppm1 2.110 ppm2 4.029 CV 1 ASSI { 515} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD2 )) 3.800 1.800 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.13045E-02 ppm1 2.109 ppm2 3.723 CV 1 ASSI { 527} (( segid " " and resid 146 and name HB )) ( segid " " and resid 146 and name HG2%) 2.000 0.500 0.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.21883E-01 ppm1 2.078 ppm2 0.932 CV 1 OR { 527} (( segid " " and resid 146 and name HB )) ( segid " " and resid 146 and name HG1%) ASSI { 529} (( segid " " and resid 146 and name HB )) (( segid " " and resid 146 and name HA )) 2.500 0.800 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.44986E-02 ppm1 2.049 ppm2 4.383 CV 1 ASSI { 532} (( segid " " and resid 146 and name HB )) (( segid " " and resid 147 and name HD1 )) 4.400 2.400 1.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.15961E-02 ppm1 2.053 ppm2 3.875 CV 1 ASSI { 540} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HG2 )) 2.800 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.32646E-02 ppm1 1.753 ppm2 2.432 CV 1 OR { 540} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HG1 )) ASSI { 545} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HN )) 3.300 1.300 1.300 peak 545 spectrum 1 weight 0.11000E+01 volume 0.22663E-02 ppm1 1.652 ppm2 8.975 CV 1 OR { 545} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HN )) ASSI { 3047} (( segid " " and resid 143 and name HN )) (( segid " " and resid 16 and name HG2%)) 4.500 2.500 1.500 peak 3047 spectrum 1 weight 0.11000E+01 volume 0.22663E-02 ppm1 1.652 ppm2 8.975 CV 1 ASSI { 546} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.26042E-02 ppm1 1.692 ppm2 8.476 CV 1 ASSI { 547} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HN )) 2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.43807E-02 ppm1 1.700 ppm2 8.369 CV 1 OR { 547} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 554} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HA )) 2.600 2.600 3.400 peak 554 spectrum 1 weight 0.11000E+01 volume 0.23531E-02 ppm1 1.664 ppm2 3.639 CV 1 ASSI { 555} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 38 and name HB1 )) 3.000 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.34975E-02 ppm1 1.701 ppm2 3.162 CV 1 OR { 555} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 38 and name HB1 )) ASSI { 556} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HG2 )) 2.300 0.700 0.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.90688E-02 ppm1 1.657 ppm2 1.884 CV 1 OR { 556} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HG2 )) ASSI { 564} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HB1 )) 1.600 0.300 0.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.86157E-02 ppm1 1.805 ppm2 1.949 CV 1 ASSI { 578} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) 2.400 0.700 0.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.75305E-02 ppm1 2.062 ppm2 4.013 CV 1 OR { 578} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HA )) ASSI { 592} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.400 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.28456E-02 ppm1 2.038 ppm2 8.481 CV 1 ASSI { 599} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HG1 )) 1.900 1.900 4.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.12510E-01 ppm1 2.039 ppm2 2.366 CV 1 ASSI { 604} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HD1 )) 2.400 2.400 3.600 peak 604 spectrum 1 weight 0.11000E+01 volume 0.46576E-02 ppm1 2.005 ppm2 3.867 CV 1 OR { 604} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HD1 )) ASSI { 607} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HD2 )) 2.400 2.400 3.600 peak 607 spectrum 1 weight 0.11000E+01 volume 0.43586E-02 ppm1 2.003 ppm2 3.645 CV 1 OR { 607} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HD2 )) ASSI { 608} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HB1 )) 2.100 0.600 0.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10669E-01 ppm1 2.004 ppm2 2.254 CV 1 OR { 608} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HB1 )) ASSI { 610} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HB2 )) 2.300 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.65739E-02 ppm1 2.003 ppm2 1.768 CV 1 OR { 610} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HB2 )) ASSI { 614} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HN )) 3.300 1.400 1.400 peak 614 spectrum 1 weight 0.11000E+01 volume 0.13765E-02 ppm1 1.253 ppm2 9.069 CV 1 OR { 614} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HN )) ASSI { 616} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 86 and name HN )) 4.300 2.300 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 1.260 ppm2 8.475 CV 1 OR { 616} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 86 and name HN )) ASSI { 617} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 617 spectrum 1 weight 0.11000E+01 volume 0.12964E-02 ppm1 1.263 ppm2 5.627 CV 1 OR { 617} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HA )) ASSI { 620} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 47 and name HA )) 5.300 3.500 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.31652E-03 ppm1 1.251 ppm2 4.213 CV 1 ASSI { 622} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HE2 )) 3.300 1.300 1.300 peak 622 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 1.256 ppm2 2.782 CV 1 OR { 622} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HE2 )) ASSI { 630} ( segid " " and resid 141 and name HB% ) ( segid " " and resid 142 and name HN ) 4.000 2.200 1.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.59315E-03 ppm1 1.167 ppm2 7.432 CV 1 ASSI { 631} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 141 and name HN )) 2.300 0.600 0.600 peak 631 spectrum 1 weight 0.11000E+01 volume 0.47128E-02 ppm1 1.160 ppm2 7.113 CV 1 ASSI { 633} ( segid " " and resid 141 and name HB% ) ( segid " " and resid 108 and name HD% ) 3.900 1.900 1.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 1.160 ppm2 6.735 CV 1 ASSI { 634} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 108 and name HA )) 3.800 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.92452E-03 ppm1 1.155 ppm2 5.497 CV 1 ASSI { 636} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 141 and name HA )) 2.100 0.500 0.500 peak 636 spectrum 1 weight 0.11000E+01 volume 0.68501E-02 ppm1 1.162 ppm2 4.552 CV 1 ASSI { 637} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.35607E-02 ppm1 1.161 ppm2 4.435 CV 1 ASSI { 642} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 108 and name HB1 )) 2.300 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 1.165 ppm2 2.983 CV 1 ASSI { 643} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 108 and name HB2 )) 3.400 1.400 1.400 peak 643 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 1.159 ppm2 2.413 CV 1 ASSI { 654} ( segid " " and resid 141 and name HB% ) ( segid " " and resid 84 and name HD2%) 3.000 1.100 1.100 peak 654 spectrum 1 weight 0.10000E+01 volume 0.31228E-02 ppm1 1.162 ppm2 0.440 CV 1 ASSI { 655} ( segid " " and resid 141 and name HB% ) ( segid " " and resid 84 and name HD1%) 2.600 2.600 3.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.10493E-02 ppm1 1.163 ppm2 0.175 CV 1 ASSI { 656} ( segid " " and resid 141 and name HB% ) ( segid " " and resid 22 and name HD1%) 3.900 1.900 1.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.74107E-03 ppm1 1.164 ppm2 -0.019 CV 1 ASSI { 680} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HN )) 2.900 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14348E-02 ppm1 3.853 ppm2 8.503 CV 1 OR { 680} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HN )) ASSI { 682} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.500 1.500 1.500 peak 682 spectrum 1 weight 0.10000E+01 volume 0.88025E-03 ppm1 3.873 ppm2 7.361 CV 1 ASSI { 695} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HN )) 2.300 2.300 3.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.15410E-01 ppm1 4.356 ppm2 8.371 CV 1 ASSI { 702} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) 2.100 0.600 0.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.89569E-02 ppm1 4.357 ppm2 2.257 CV 1 ASSI { 703} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.900 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.42966E-02 ppm1 4.356 ppm2 1.768 CV 1 ASSI { 706} (( segid " " and resid 147 and name HA )) ( segid " " and resid 146 and name HG2%) 6.000 4.900 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.86838E-04 ppm1 4.376 ppm2 0.945 CV 1 OR { 706} (( segid " " and resid 147 and name HA )) ( segid " " and resid 146 and name HG1%) ASSI { 713} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.400 0.700 0.700 peak 713 spectrum 1 weight 0.10000E+01 volume 0.55446E-02 ppm1 4.163 ppm2 8.090 CV 1 ASSI { 725} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HG2 )) 4.800 2.900 1.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.85107E-03 ppm1 4.166 ppm2 2.384 CV 1 OR { 725} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HG1 )) ASSI { 729} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HG2%) 2.300 0.700 0.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.15118E-01 ppm1 4.164 ppm2 0.927 CV 1 OR { 729} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HG1%) ASSI { 731} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.700 2.700 3.300 peak 731 spectrum 1 weight 0.11000E+01 volume 0.70402E-02 ppm1 4.486 ppm2 8.639 CV 1 ASSI { 734} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HA )) 3.300 3.300 2.700 peak 734 spectrum 1 weight 0.11000E+01 volume 0.26904E-02 ppm1 4.480 ppm2 4.802 CV 1 ASSI { 736} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB1 )) 2.200 2.200 3.800 peak 736 spectrum 1 weight 0.11000E+01 volume 0.96435E-02 ppm1 4.486 ppm2 3.866 CV 1 OR { 736} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB2 )) ASSI { 742} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12433E-01 ppm1 4.338 ppm2 8.387 CV 1 ASSI { 754} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG1 )) 2.700 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.52266E-02 ppm1 4.339 ppm2 2.372 CV 1 ASSI { 756} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB1 )) 2.200 0.600 0.600 peak 756 spectrum 1 weight 0.10000E+01 volume 0.59501E-02 ppm1 4.338 ppm2 2.029 CV 1 ASSI { 760} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.300 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.24000E-02 ppm1 4.279 ppm2 8.299 CV 1 ASSI { 762} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HN )) 2.600 0.800 0.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.36711E-02 ppm1 4.254 ppm2 7.982 CV 1 ASSI { 788} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.400 0.700 0.700 peak 788 spectrum 1 weight 0.11000E+01 volume 0.57405E-02 ppm1 4.348 ppm2 8.312 CV 1 ASSI { 789} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 3.200 1.300 1.300 peak 789 spectrum 1 weight 0.10000E+01 volume 0.10933E-02 ppm1 4.355 ppm2 7.914 CV 1 ASSI { 793} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) 2.500 0.800 0.800 peak 793 spectrum 1 weight 0.11000E+01 volume 0.32436E-02 ppm1 4.350 ppm2 3.138 CV 1 ASSI { 811} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG1 )) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.23517E-02 ppm1 4.364 ppm2 2.438 CV 1 OR { 811} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG2 )) ASSI { 812} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB1 )) 2.600 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 4.368 ppm2 2.057 CV 1 ASSI { 815} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) 2.800 0.900 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 4.363 ppm2 1.751 CV 1 ASSI { 827} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 4.220 ppm2 7.273 CV 1 ASSI { 834} (( segid " " and resid 49 and name HA )) (( segid " " and resid 44 and name HB1 )) 3.000 1.100 1.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.13651E-02 ppm1 4.249 ppm2 3.048 CV 1 ASSI { 840} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HB% ) 2.500 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.32300E-02 ppm1 4.249 ppm2 1.034 CV 1 ASSI { 846} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.700 0.900 0.900 peak 846 spectrum 1 weight 0.11000E+01 volume 0.16536E-02 ppm1 1.267 ppm2 4.501 CV 1 ASSI { 848} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HB1 )) 1.900 0.400 0.400 peak 848 spectrum 1 weight 0.11000E+01 volume 0.29557E-02 ppm1 1.273 ppm2 1.562 CV 1 ASSI { 854} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HG )) 3.200 1.300 1.300 peak 854 spectrum 1 weight 0.10000E+01 volume 0.15970E-02 ppm1 1.280 ppm2 1.065 CV 1 ASSI { 871} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG2 )) 2.500 0.800 0.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.34793E-02 ppm1 1.625 ppm2 1.262 CV 1 OR { 871} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HG1 )) OR { 871} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HG2 )) OR { 871} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG1 )) ASSI { 890} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HE1 )) 2.900 1.000 1.000 peak 890 spectrum 1 weight 0.11000E+01 volume 0.15485E-02 ppm1 1.469 ppm2 2.763 CV 1 OR { 890} (( segid " " and resid 85 and name HD1 )) (( segid " " and resid 85 and name HE1 )) ASSI { 902} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HD1 )) 2.900 1.100 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.92749E-03 ppm1 1.451 ppm2 2.896 CV 1 ASSI { 910} (( segid " " and resid 72 and name HG1 )) ( segid " " and resid 73 and name HD2%) 2.800 2.800 3.200 peak 910 spectrum 1 weight 0.10000E+01 volume 0.13645E-01 ppm1 1.373 ppm2 0.841 CV 1 ASSI { 920} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HB1 )) 3.500 1.600 1.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.43069E-02 ppm1 3.032 ppm2 1.870 CV 1 OR { 920} (( segid " " and resid 99 and name HE1 )) (( segid " " and resid 99 and name HB1 )) OR { 920} (( segid " " and resid 99 and name HE2 )) (( segid " " and resid 99 and name HB2 )) OR { 920} (( segid " " and resid 99 and name HE1 )) (( segid " " and resid 99 and name HB2 )) ASSI { 924} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.15342E-02 ppm1 0.607 ppm2 3.043 CV 1 ASSI { 925} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 122 and name HB1 )) 3.100 1.200 1.200 peak 925 spectrum 1 weight 0.10000E+01 volume 0.14811E-02 ppm1 0.610 ppm2 2.976 CV 1 ASSI { 928} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.23090E-02 ppm1 0.609 ppm2 2.193 CV 1 ASSI { 934} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG12)) 2.100 0.500 0.500 peak 934 spectrum 1 weight 0.10000E+01 volume 0.67059E-02 ppm1 0.610 ppm2 1.409 CV 1 OR { 934} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG11)) ASSI { 946} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HA )) 4.900 3.000 1.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.48033E-03 ppm1 0.610 ppm2 4.704 CV 1 ASSI { 951} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 134 and name HE% ) 3.000 1.100 1.100 peak 951 spectrum 1 weight 0.10000E+01 volume 0.17559E-02 ppm1 0.608 ppm2 7.094 CV 1 ASSI { 952} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HN )) 4.100 2.100 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.13184E-02 ppm1 0.611 ppm2 9.095 CV 1 ASSI { 957} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HN )) 4.300 2.300 1.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 0.906 ppm2 9.346 CV 1 ASSI { 963} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 125 and name HE% ) 3.800 1.800 1.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.66876E-03 ppm1 0.692 ppm2 7.271 CV 1 ASSI { 964} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 31 and name HD% ) 3.600 1.600 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.24525E-02 ppm1 0.904 ppm2 7.266 CV 1 ASSI { 965} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 134 and name HE% ) 3.900 1.900 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.62533E-03 ppm1 0.905 ppm2 7.094 CV 1 ASSI { 968} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 121 and name HA )) 3.800 1.800 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.20384E-02 ppm1 0.911 ppm2 4.300 CV 1 ASSI { 972} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 122 and name HB1 )) 2.900 1.100 1.100 peak 972 spectrum 1 weight 0.10000E+01 volume 0.11469E-02 ppm1 0.906 ppm2 2.949 CV 1 ASSI { 974} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.37069E-02 ppm1 0.904 ppm2 2.205 CV 1 ASSI { 975} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 41 and name HB )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.27779E-02 ppm1 0.907 ppm2 1.865 CV 1 ASSI { 977} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 41 and name HD1%) 3.000 1.000 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.77911E-02 ppm1 0.904 ppm2 0.620 CV 1 ASSI { 984} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HA )) 2.500 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.45077E-02 ppm1 0.961 ppm2 4.895 CV 1 ASSI { 988} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 121 and name HA )) 4.100 2.100 1.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 0.958 ppm2 4.357 CV 1 ASSI { 992} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 68 and name HG )) 3.800 1.800 1.200 peak 992 spectrum 1 weight 0.10000E+01 volume 0.18650E-02 ppm1 1.311 ppm2 1.068 CV 1 ASSI { 993} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 59 and name HG1%)) 3.000 1.200 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 1.310 ppm2 0.957 CV 1 ASSI { 996} ( segid " " and resid 70 and name HB% ) ( segid " " and resid 68 and name HD2%) 3.600 1.600 1.200 peak 996 spectrum 1 weight 0.10000E+01 volume 0.21610E-02 ppm1 1.310 ppm2 0.482 CV 1 ASSI { 997} ( segid " " and resid 70 and name HB% ) ( segid " " and resid 68 and name HD1%) 3.800 1.800 1.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.15200E-02 ppm1 1.311 ppm2 0.324 CV 1 ASSI { 1001} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 61 and name HG12)) 4.000 2.200 1.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 1.311 ppm2 1.591 CV 1 ASSI { 1003} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HB )) 2.200 0.600 0.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.59512E-02 ppm1 0.961 ppm2 2.209 CV 1 ASSI { 1018} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 41 and name HB )) 4.800 2.800 1.200 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 0.961 ppm2 1.855 CV 1 ASSI { 1022} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 120 and name HB1 )) 4.300 2.300 1.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 0.949 ppm2 1.546 CV 1 ASSI { 1023} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 119 and name HG1 )) 4.200 2.200 1.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 0.960 ppm2 2.432 CV 1 OR { 1023} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 119 and name HG2 )) OR { 1023} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 122 and name HB1 )) ASSI { 1025} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HA )) 4.400 2.400 1.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.14461E-02 ppm1 1.031 ppm2 3.788 CV 1 ASSI { 1026} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB2 )) 4.100 2.100 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.72331E-03 ppm1 1.032 ppm2 3.466 CV 1 ASSI { 1027} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 44 and name HB1 )) 3.600 1.600 1.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.15296E-02 ppm1 1.032 ppm2 3.040 CV 1 ASSI { 1029} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 59 and name HA )) 3.700 1.700 1.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 1.032 ppm2 4.590 CV 1 ASSI { 1030} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.42384E-02 ppm1 1.308 ppm2 4.555 CV 1 ASSI { 1032} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 69 and name HA )) 4.100 2.100 1.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.13809E-02 ppm1 1.313 ppm2 4.815 CV 1 ASSI { 1034} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 43 and name HA )) 3.300 1.500 1.500 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.23776E-02 ppm1 1.030 ppm2 5.864 CV 1 ASSI { 1038} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.40156E-02 ppm1 1.032 ppm2 8.687 CV 1 ASSI { 1039} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 3.500 1.500 1.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.42324E-02 ppm1 1.032 ppm2 8.464 CV 1 ASSI { 1044} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 44 and name HB2 )) 3.400 1.500 1.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.12109E-02 ppm1 1.034 ppm2 2.335 CV 1 ASSI { 1045} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 70 and name HN )) 2.600 0.900 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.29439E-02 ppm1 1.311 ppm2 8.627 CV 1 ASSI { 1046} ( segid " " and resid 70 and name HB% ) (( segid " " and resid 61 and name HN )) 3.600 1.600 1.600 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.94320E-03 ppm1 1.309 ppm2 9.769 CV 1 ASSI { 1050} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 22 and name HD1%) 3.700 1.700 1.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.22242E-02 ppm1 0.167 ppm2 -0.450 CV 1 ASSI { 1105} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HN )) 4.300 2.400 1.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 0.319 ppm2 9.000 CV 1 ASSI { 1106} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 92 and name HN )) 3.800 1.800 1.800 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.15165E-02 ppm1 0.318 ppm2 8.746 CV 1 ASSI { 1107} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 0.325 ppm2 8.589 CV 1 ASSI { 1108} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 69 and name HN )) 2.700 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.41570E-02 ppm1 0.320 ppm2 8.470 CV 1 ASSI { 1110} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 92 and name HA )) 4.000 2.000 2.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 0.317 ppm2 4.906 CV 1 ASSI { 1111} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 69 and name HA )) 3.800 1.800 1.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.10828E-02 ppm1 0.321 ppm2 4.813 CV 1 ASSI { 1112} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HA )) 2.700 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.70741E-02 ppm1 0.321 ppm2 4.500 CV 1 ASSI { 1116} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 92 and name HB1 )) 3.000 1.100 1.100 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.24509E-02 ppm1 0.321 ppm2 2.823 CV 1 ASSI { 1117} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 92 and name HB2 )) 3.700 1.700 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.27341E-02 ppm1 0.321 ppm2 2.372 CV 1 ASSI { 1118} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 61 and name HB )) 3.500 1.500 1.500 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 0.320 ppm2 1.693 CV 1 ASSI { 1119} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HB1 )) 3.600 1.600 1.600 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.24921E-02 ppm1 0.320 ppm2 1.562 CV 1 ASSI { 1120} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HB2 )) 2.400 0.700 0.700 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.55351E-02 ppm1 0.320 ppm2 1.283 CV 1 ASSI { 1122} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HG )) 2.200 0.600 0.600 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.77804E-02 ppm1 0.320 ppm2 1.061 CV 1 ASSI { 1124} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 68 and name HD2%) 2.300 0.700 0.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.12920E-01 ppm1 0.320 ppm2 0.466 CV 1 ASSI { 1135} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 90 and name HB1 )) 4.600 2.600 1.400 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.86412E-03 ppm1 2.287 ppm2 3.095 CV 1 ASSI { 1148} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HB2 )) 2.300 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.10382E-01 ppm1 2.231 ppm2 1.904 CV 1 OR { 1148} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HB2 )) ASSI { 4537} (( segid " " and resid 109 and name HG2%)) (( segid " " and resid 137 and name HB2 )) 4.500 2.500 1.500 peak 4537 spectrum 1 weight 0.10000E+01 volume 0.10382E-01 ppm1 2.770 ppm2 0.574 CV 1 ASSI { 4539} (( segid " " and resid 109 and name HG2%)) (( segid " " and resid 137 and name HN )) 5.000 3.200 1.000 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.10382E-01 ppm1 2.770 ppm2 0.574 CV 1 ASSI { 4536} (( segid " " and resid 109 and name HG2%)) (( segid " " and resid 110 and name HB2 )) 4.500 2.500 1.500 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.10382E-01 ppm1 2.770 ppm2 0.574 CV 1 ASSI { 1164} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 26 and name HE1 )) 1.900 0.400 0.400 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.16130E-01 ppm1 1.674 ppm2 2.975 CV 1 OR { 1164} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 26 and name HE2 )) OR { 1164} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 26 and name HE1 )) OR { 1164} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 26 and name HE2 )) ASSI { 1165} (( segid " " and resid 26 and name HD1 )) (( segid " " and resid 4 and name HB2 )) 3.800 1.800 1.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.76283E-03 ppm1 1.693 ppm2 2.752 CV 1 OR { 1165} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 4 and name HB2 )) ASSI { 1189} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HN )) 3.600 1.600 1.600 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.63899E-03 ppm1 0.799 ppm2 7.916 CV 1 ASSI { 1192} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 74 and name HN )) 4.000 2.200 1.000 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.77802E-03 ppm1 0.833 ppm2 6.917 CV 1 ASSI { 1205} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HB1 )) 2.800 1.000 1.200 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.36922E-02 ppm1 0.799 ppm2 1.633 CV 1 ASSI { 1225} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD1%) 2.800 1.000 1.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.56466E-02 ppm1 0.798 ppm2 -0.011 CV 1 ASSI { 1228} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 100 and name HN )) 4.500 2.500 1.000 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.80657E-03 ppm1 0.953 ppm2 8.549 CV 1 OR { 1228} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 94 and name HN )) ASSI { 1229} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 98 and name HN )) 3.500 1.500 1.500 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.35005E-02 ppm1 0.955 ppm2 8.452 CV 1 ASSI { 1230} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 99 and name HN )) 4.700 2.800 1.300 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.65317E-03 ppm1 0.954 ppm2 8.240 CV 1 ASSI { 1232} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 97 and name HA )) 4.800 2.800 1.200 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 0.954 ppm2 4.482 CV 1 OR { 1232} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 95 and name HA )) ASSI { 1233} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 98 and name HA )) 3.700 1.700 1.700 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.39319E-02 ppm1 0.955 ppm2 4.364 CV 1 ASSI { 1241} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 98 and name HB1 )) 2.400 0.600 0.500 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.17799E-01 ppm1 0.955 ppm2 1.752 CV 1 ASSI { 1242} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 98 and name HB2 )) 2.400 0.600 0.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.17279E-01 ppm1 0.956 ppm2 1.714 CV 1 ASSI { 1266} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HN )) 3.100 1.200 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.26182E-02 ppm1 0.510 ppm2 8.866 CV 1 OR { 1266} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HN )) ASSI { 1268} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 22 and name HN )) 4.000 2.200 1.400 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.92053E-03 ppm1 0.503 ppm2 8.196 CV 1 OR { 1268} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 22 and name HN )) ASSI { 1269} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 10 and name HN )) 4.000 2.200 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 0.502 ppm2 7.345 CV 1 ASSI { 1273} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 84 and name HA )) 5.000 3.100 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.60992E-03 ppm1 0.512 ppm2 5.242 CV 1 OR { 1273} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 84 and name HA )) ASSI { 1276} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HA )) 3.800 1.800 1.800 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.10639E-02 ppm1 0.518 ppm2 4.667 CV 1 ASSI { 1281} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 11 and name HB )) 4.000 2.200 1.500 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.95088E-03 ppm1 0.510 ppm2 2.245 CV 1 OR { 1281} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 11 and name HB )) ASSI { 1822} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 98 and name HN )) 2.800 0.700 0.700 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.59916E-02 ppm1 0.875 ppm2 8.453 CV 1 ASSI { 899} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HD1 )) 4.000 2.000 2.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10879E-02 ppm1 7.091 ppm2 4.386 CV 1 OR { 899} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HA )) ASSI { 1282} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 84 and name HB1 )) 4.100 2.100 1.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.14271E-02 ppm1 0.506 ppm2 1.731 CV 1 OR { 1282} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 84 and name HB1 )) ASSI { 1286} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 22 and name HG )) 3.200 1.400 1.200 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.69303E-02 ppm1 0.509 ppm2 0.922 CV 1 OR { 1286} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 22 and name HG )) ASSI { 1292} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 22 and name HD1%) 3.200 1.300 1.300 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.78668E-02 ppm1 0.509 ppm2 -0.446 CV 1 OR { 1292} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 22 and name HD1%) ASSI { 1307} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 26 and name HE2 )) 2.700 2.700 3.300 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.37401E-02 ppm1 1.435 ppm2 2.975 CV 1 OR { 1307} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 26 and name HE1 )) ASSI { 1318} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 73 and name HN )) 4.200 4.200 1.800 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.93928E-03 ppm1 0.634 ppm2 7.752 CV 1 ASSI { 1319} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 88 and name HD% )) 4.000 2.200 2.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.67940E-03 ppm1 0.633 ppm2 7.135 CV 1 ASSI { 1327} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 73 and name HA )) 2.900 2.900 3.100 peak 1327 spectrum 1 weight 0.11000E+01 volume 0.36356E-02 ppm1 0.634 ppm2 3.290 CV 1 ASSI { 1331} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) 2.800 1.000 1.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.34507E-02 ppm1 0.639 ppm2 1.484 CV 1 OR { 1331} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB1 )) ASSI { 1333} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HG )) 2.100 0.600 0.600 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.93228E-02 ppm1 0.637 ppm2 1.233 CV 1 ASSI { 1334} ( segid " " and resid 140 and name HD2%) ( segid " " and resid 140 and name HD1%) 2.300 0.600 0.600 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.12865E-01 ppm1 0.637 ppm2 0.842 CV 1 ASSI { 1341} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.66336E-02 ppm1 0.676 ppm2 9.301 CV 1 ASSI { 1342} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 11 and name HN )) 3.500 1.500 1.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.44184E-02 ppm1 0.677 ppm2 8.845 CV 1 ASSI { 1344} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.86998E-03 ppm1 0.681 ppm2 7.994 CV 1 ASSI { 1345} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HN )) 4.200 2.200 1.800 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.23878E-02 ppm1 0.676 ppm2 7.821 CV 1 ASSI { 1346} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 20 and name HD% ) 4.700 2.800 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.75941E-03 ppm1 0.675 ppm2 7.446 CV 1 ASSI { 1348} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HE )) 4.000 2.200 2.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 0.675 ppm2 6.906 CV 1 ASSI { 1349} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.300 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.25376E-02 ppm1 0.678 ppm2 5.494 CV 1 ASSI { 1350} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HA )) 3.400 1.500 1.500 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.19017E-02 ppm1 0.677 ppm2 5.361 CV 1 ASSI { 1351} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HA )) 2.800 1.000 0.700 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.73761E-02 ppm1 0.671 ppm2 4.260 CV 1 ASSI { 1353} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 21 and name HB2 )) 3.500 1.500 1.500 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.17660E-02 ppm1 0.672 ppm2 2.174 CV 1 ASSI { 1360} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HN )) 2.200 0.600 0.600 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.82924E-02 ppm1 1.275 ppm2 8.869 CV 1 ASSI { 1363} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 12 and name HN )) 2.500 0.700 0.600 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.10007E-01 ppm1 1.272 ppm2 7.984 CV 1 ASSI { 1365} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HN )) 3.300 1.300 1.300 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.58394E-02 ppm1 1.250 ppm2 7.084 CV 1 ASSI { 1366} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 79 and name HD% ) 3.500 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.15291E-02 ppm1 1.269 ppm2 6.813 CV 1 OR { 1366} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 20 and name HE% ) ASSI { 1368} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HA )) 2.300 0.600 0.600 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.81833E-02 ppm1 1.272 ppm2 4.558 CV 1 ASSI { 1370} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HB )) 2.100 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.13251E-01 ppm1 1.253 ppm2 4.096 CV 1 ASSI { 1378} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 11 and name HG1%) 2.200 0.600 0.600 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.10274E-01 ppm1 1.274 ppm2 0.696 CV 1 ASSI { 1379} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 77 and name HD2%) 4.600 2.600 1.400 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.10202E-02 ppm1 1.276 ppm2 0.508 CV 1 OR { 1379} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 77 and name HD1%) ASSI { 1380} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 84 and name HD1%) 5.000 3.100 1.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.47953E-03 ppm1 1.273 ppm2 0.169 CV 1 ASSI { 1387} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 141 and name HN )) 2.400 2.400 3.600 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.18055E-02 ppm1 0.871 ppm2 7.089 CV 1 ASSI { 1390} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HA )) 2.400 0.700 0.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.13615E-01 ppm1 0.923 ppm2 4.166 CV 1 ASSI { 1405} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HB )) 1.800 0.400 0.400 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.32458E-01 ppm1 0.890 ppm2 1.988 CV 1 OR { 1405} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HB )) ASSI { 1444} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.12241E-02 ppm1 0.694 ppm2 7.989 CV 1 ASSI { 1445} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 20 and name HD% ) 3.500 1.500 1.500 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.29883E-02 ppm1 0.692 ppm2 7.443 CV 1 ASSI { 1453} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 11 and name HB )) 2.200 0.600 0.600 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.46352E-02 ppm1 0.694 ppm2 2.244 CV 1 ASSI { 1456} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 77 and name HD1%) 3.500 1.500 1.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.42658E-02 ppm1 0.695 ppm2 0.512 CV 1 OR { 1456} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 77 and name HD2%) ASSI { 1458} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 41 and name HN )) 4.900 2.900 1.100 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.12534E-02 ppm1 1.208 ppm2 9.101 CV 1 ASSI { 1459} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HN )) 3.200 1.300 1.300 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.72620E-02 ppm1 1.208 ppm2 8.324 CV 1 ASSI { 1460} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.52864E-02 ppm1 1.207 ppm2 8.224 CV 1 ASSI { 1461} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HA )) 2.400 0.700 0.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.60338E-02 ppm1 1.208 ppm2 5.484 CV 1 ASSI { 1463} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 40 and name HA )) 3.600 1.600 1.600 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.17801E-02 ppm1 1.207 ppm2 4.629 CV 1 ASSI { 1464} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 39 and name HA )) 3.000 1.200 3.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.63472E-02 ppm1 1.207 ppm2 4.348 CV 1 OR { 1464} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 36 and name HA )) OR { 1464} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 38 and name HA )) ASSI { 1465} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HB )) 2.200 0.600 0.600 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.11082E-01 ppm1 1.208 ppm2 4.086 CV 1 ASSI { 1470} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 108 and name HN )) 2.800 2.800 3.200 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.70406E-03 ppm1 0.573 ppm2 9.669 CV 1 ASSI { 1471} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 110 and name HN )) 3.400 1.500 1.500 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.34393E-02 ppm1 0.574 ppm2 9.146 CV 1 ASSI { 1472} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 136 and name HN )) 3.500 1.500 1.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.17068E-02 ppm1 0.574 ppm2 8.829 CV 1 ASSI { 1473} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 109 and name HN )) 2.300 0.700 0.700 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.72742E-02 ppm1 0.574 ppm2 8.343 CV 1 ASSI { 1474} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 141 and name HN )) 4.500 2.600 1.500 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.12490E-02 ppm1 0.576 ppm2 7.087 CV 1 OR { 1474} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 137 and name HE2 )) ASSI { 1476} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 135 and name HA )) 3.900 1.900 1.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.92799E-03 ppm1 0.576 ppm2 5.387 CV 1 ASSI { 1478} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.63818E-02 ppm1 0.575 ppm2 4.356 CV 1 ASSI { 1486} ( segid " " and resid 109 and name HG1%) (( segid " " and resid 109 and name HB )) 2.100 0.600 0.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.12352E-01 ppm1 0.575 ppm2 1.189 CV 1 ASSI { 1489} ( segid " " and resid 109 and name HG1%) ( segid " " and resid 109 and name HG2%) 2.800 1.000 0.500 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.33077E-01 ppm1 0.575 ppm2 0.868 CV 1 ASSI { 1519} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HN )) 2.600 0.800 0.800 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.35455E-02 ppm1 2.415 ppm2 8.851 CV 1 OR { 1519} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HN )) ASSI { 1520} (( segid " " and resid 127 and name HG2 )) ( segid " " and resid 125 and name HD% ) 3.900 1.900 1.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.20541E-02 ppm1 2.417 ppm2 7.412 CV 1 OR { 1520} (( segid " " and resid 127 and name HG1 )) ( segid " " and resid 125 and name HD% ) ASSI { 1521} (( segid " " and resid 127 and name HG2 )) ( segid " " and resid 125 and name HE% ) 4.400 2.400 1.600 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.17860E-02 ppm1 2.419 ppm2 7.278 CV 1 OR { 1521} (( segid " " and resid 127 and name HG1 )) ( segid " " and resid 125 and name HE% ) ASSI { 1522} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 126 and name HA )) 5.000 3.100 1.000 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.95005E-03 ppm1 2.417 ppm2 4.717 CV 1 OR { 1522} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 126 and name HA )) ASSI { 1525} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HB1 )) 2.100 0.600 0.600 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.14217E-01 ppm1 2.417 ppm2 2.095 CV 1 OR { 1525} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HB2 )) OR { 1525} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HB2 )) OR { 1525} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HB1 )) ASSI { 1528} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HN )) 2.900 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.38706E-02 ppm1 1.901 ppm2 8.203 CV 1 ASSI { 1561} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HE2 )) 3.000 3.000 3.000 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.25372E-02 ppm1 1.334 ppm2 2.973 CV 1 ASSI { 1567} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 88 and name HH )) 4.000 2.200 2.000 peak 1567 spectrum 1 weight 0.11000E+01 volume 0.16671E-02 ppm1 0.544 ppm2 9.226 CV 1 ASSI { 1568} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.16241E-02 ppm1 0.546 ppm2 8.492 CV 1 ASSI { 1569} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 46 and name HN )) 3.300 1.500 1.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 0.546 ppm2 8.286 CV 1 ASSI { 1574} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 108 and name HE% ) 4.000 2.200 2.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.26377E-02 ppm1 0.545 ppm2 6.448 CV 1 ASSI { 1576} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 46 and name HB2 )) 3.800 1.800 1.400 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.72091E-03 ppm1 0.544 ppm2 3.982 CV 1 ASSI { 1577} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.37211E-02 ppm1 0.544 ppm2 3.731 CV 1 ASSI { 1580} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 45 and name HB )) 2.100 0.500 0.500 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.69132E-02 ppm1 0.544 ppm2 1.559 CV 1 ASSI { 1590} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 22 and name HD2%) 3.500 1.500 1.500 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.22722E-02 ppm1 0.547 ppm2 -0.447 CV 1 ASSI { 1602} (( segid " " and resid 95 and name HA )) (( segid " " and resid 96 and name HN )) 3.300 1.500 1.100 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.19339E-02 ppm1 4.254 ppm2 7.079 CV 1 ASSI { 1610} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.200 1.200 1.200 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.14333E-02 ppm1 4.276 ppm2 7.761 CV 1 ASSI { 1611} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HN )) 4.200 2.200 1.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.65557E-03 ppm1 4.275 ppm2 6.739 CV 1 ASSI { 1614} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.100 0.500 0.500 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.10705E-01 ppm1 4.273 ppm2 2.385 CV 1 ASSI { 1615} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG2 )) 3.400 1.500 1.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.54994E-02 ppm1 4.275 ppm2 2.160 CV 1 OR { 1615} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG1 )) ASSI { 1616} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.600 0.900 0.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.65526E-02 ppm1 4.274 ppm2 2.042 CV 1 ASSI { 1619} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HN )) 3.000 1.100 1.100 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.21598E-02 ppm1 4.214 ppm2 9.184 CV 1 ASSI { 1620} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HN )) 3.100 1.200 1.200 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.19158E-02 ppm1 4.217 ppm2 8.296 CV 1 ASSI { 1621} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 3.200 1.300 1.300 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.10188E-02 ppm1 4.234 ppm2 7.910 CV 1 ASSI { 1627} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) 2.900 2.900 3.100 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.25417E-02 ppm1 4.219 ppm2 4.098 CV 1 ASSI { 1647} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HD1 )) 1.800 0.400 0.400 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.14968E-01 ppm1 4.387 ppm2 3.871 CV 1 ASSI { 1648} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HD2 )) 1.900 0.400 0.400 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.11473E-01 ppm1 4.388 ppm2 3.651 CV 1 ASSI { 1651} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HB1 )) 4.300 2.300 1.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.13399E-02 ppm1 4.381 ppm2 2.253 CV 1 ASSI { 1656} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HG1%) 2.200 0.600 0.600 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.12661E-01 ppm1 4.387 ppm2 0.938 CV 1 OR { 1656} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HG2%) ASSI { 1660} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) 4.600 2.600 1.400 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.88188E-03 ppm1 4.009 ppm2 7.352 CV 1 ASSI { 1670} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG1 )) 2.900 1.100 1.100 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.43868E-02 ppm1 4.012 ppm2 2.312 CV 1 OR { 1670} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG2 )) ASSI { 1681} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.82441E-02 ppm1 4.427 ppm2 3.881 CV 1 ASSI { 1709} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.17682E-02 ppm1 4.286 ppm2 6.746 CV 1 ASSI { 1717} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HB% ) 2.100 0.500 0.500 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.15698E-01 ppm1 4.286 ppm2 1.539 CV 1 ASSI { 1724} (( segid " " and resid 58 and name HA )) (( segid " " and resid 48 and name HA )) 3.200 1.200 1.200 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.22465E-02 ppm1 4.265 ppm2 3.792 CV 1 ASSI { 1736} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HD2 )) 1.400 0.200 0.800 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.19790E-01 ppm1 3.871 ppm2 3.651 CV 1 ASSI { 1738} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HB2 )) 4.300 2.300 1.700 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.14283E-02 ppm1 3.870 ppm2 1.767 CV 1 ASSI { 1740} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 1.489 ppm2 7.816 CV 1 ASSI { 1741} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HN )) 2.300 0.700 0.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.22894E-02 ppm1 1.482 ppm2 7.755 CV 1 ASSI { 1743} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 18 and name HA )) 4.900 3.000 1.100 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.67329E-03 ppm1 1.486 ppm2 3.944 CV 1 ASSI { 1744} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.12612E-02 ppm1 1.477 ppm2 3.286 CV 1 ASSI { 1753} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HB2 )) 1.600 0.300 0.600 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.10575E-01 ppm1 1.485 ppm2 1.173 CV 1 ASSI { 1755} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 19 and name HD2%) 3.100 1.200 1.200 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.32882E-02 ppm1 1.489 ppm2 0.735 CV 1 ASSI { 1761} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HA )) 2.900 1.100 1.100 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.25850E-02 ppm1 1.164 ppm2 4.236 CV 1 ASSI { 1763} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 2.600 0.900 0.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.11447E-02 ppm1 1.170 ppm2 3.287 CV 1 ASSI { 1777} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 73 and name HD2%) 2.700 0.900 0.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.33107E-02 ppm1 1.168 ppm2 0.846 CV 1 ASSI { 1789} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HB1 )) 2.900 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.30011E-02 ppm1 0.168 ppm2 1.737 CV 1 ASSI { 1793} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 20 and name HB1 )) 2.400 0.700 0.700 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.37897E-02 ppm1 0.168 ppm2 3.015 CV 1 ASSI { 1794} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 20 and name HB2 )) 3.400 1.400 1.400 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 0.168 ppm2 2.615 CV 1 ASSI { 1795} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HA )) 2.400 0.700 0.700 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.63008E-02 ppm1 0.168 ppm2 5.245 CV 1 ASSI { 1797} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 141 and name HA )) 3.000 3.000 3.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.20274E-02 ppm1 0.168 ppm2 4.552 CV 1 ASSI { 1798} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 83 and name HA )) 4.600 2.600 1.400 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 0.168 ppm2 4.427 CV 1 ASSI { 1804} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 98 and name HA )) 3.000 1.200 1.100 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.18167E-01 ppm1 0.875 ppm2 4.363 CV 1 ASSI { 1805} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 95 and name HA )) 3.500 1.500 1.300 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.76024E-02 ppm1 0.875 ppm2 4.254 CV 1 OR { 1805} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 99 and name HA )) ASSI { 1807} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 97 and name HA )) 4.000 2.200 2.000 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.14618E-02 ppm1 0.876 ppm2 4.487 CV 1 ASSI { 1810} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 108 and name HE% ) 3.500 1.500 1.200 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.29407E-02 ppm1 0.643 ppm2 6.452 CV 1 ASSI { 1812} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 20 and name HD% ) 3.500 1.700 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.37614E-02 ppm1 0.169 ppm2 7.442 CV 1 ASSI { 1813} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 20 and name HE% ) 2.800 1.000 1.500 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.11027E-01 ppm1 0.168 ppm2 6.810 CV 1 ASSI { 1816} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 85 and name HN )) 3.100 1.200 1.200 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.31583E-02 ppm1 0.169 ppm2 9.063 CV 1 ASSI { 1818} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 80 and name HN )) 4.000 2.200 1.800 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.21291E-02 ppm1 0.168 ppm2 8.408 CV 1 ASSI { 1819} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HN )) 3.900 1.900 1.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.20650E-02 ppm1 0.168 ppm2 8.302 CV 1 ASSI { 1821} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 100 and name HN )) 4.300 2.300 1.700 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.14711E-02 ppm1 0.876 ppm2 8.558 CV 1 OR { 1821} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 94 and name HN )) ASSI { 1828} ( segid " " and resid 98 and name HD1%) ( segid " " and resid 95 and name HB1 ) 3.300 1.500 1.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.27945E-02 ppm1 0.875 ppm2 2.074 CV 1 ASSI { 1831} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 99 and name HB2 )) 3.300 1.500 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.67055E-02 ppm1 0.876 ppm2 1.869 CV 1 OR { 1831} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 99 and name HB1 )) ASSI { 1832} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 98 and name HG )) 2.400 0.600 0.500 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.19652E-01 ppm1 0.875 ppm2 1.771 CV 1 ASSI { 1833} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 98 and name HB2 )) 2.400 0.600 0.500 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.15592E-01 ppm1 0.875 ppm2 1.707 CV 1 ASSI { 1839} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.27336E-02 ppm1 0.639 ppm2 3.735 CV 1 ASSI { 1840} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 84 and name HD2%) 2.800 1.000 0.500 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.15840E-01 ppm1 0.168 ppm2 0.436 CV 1 ASSI { 1841} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 11 and name HG1%) 2.800 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.11557E-01 ppm1 0.168 ppm2 0.693 CV 1 ASSI { 1842} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 77 and name HD1%) 2.800 1.000 1.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.52989E-02 ppm1 0.169 ppm2 0.530 CV 1 OR { 1842} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 77 and name HD2%) ASSI { 1849} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 77 and name HD1%) 2.400 0.700 0.700 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.50962E-02 ppm1 -0.017 ppm2 0.526 CV 1 OR { 1849} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 77 and name HD2%) ASSI { 1850} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 84 and name HD2%) 2.600 0.800 0.800 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.46047E-02 ppm1 -0.018 ppm2 0.437 CV 1 ASSI { 1852} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 52 and name HB2 )) 2.400 2.400 3.600 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.20420E-02 ppm1 1.073 ppm2 3.820 CV 1 ASSI { 1853} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HB )) 2.500 0.800 0.800 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.32883E-02 ppm1 1.280 ppm2 3.748 CV 1 ASSI { 1854} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) 2.400 0.700 0.700 peak 1854 spectrum 1 weight 0.11000E+01 volume 0.71582E-02 ppm1 1.281 ppm2 3.637 CV 1 ASSI { 1857} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HB )) 2.200 0.600 0.600 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.97055E-02 ppm1 1.073 ppm2 3.990 CV 1 ASSI { 1861} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HN )) 3.700 1.700 1.700 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 -0.018 ppm2 8.194 CV 1 ASSI { 1862} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 108 and name HD% ) 3.100 1.200 1.200 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.13702E-02 ppm1 -0.017 ppm2 6.731 CV 1 ASSI { 1863} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 108 and name HE% ) 3.200 3.200 2.800 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.13705E-02 ppm1 -0.012 ppm2 6.462 CV 1 ASSI { 1869} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HN )) 3.100 1.200 1.200 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.33350E-02 ppm1 1.074 ppm2 8.380 CV 1 ASSI { 1876} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HN )) 2.800 1.000 1.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.32970E-02 ppm1 0.686 ppm2 8.538 CV 1 ASSI { 1879} ( segid " " and resid 59 and name HG2%) ( segid " " and resid 106 and name HE% ) 3.900 1.900 1.200 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 1.156 ppm2 6.296 CV 1 ASSI { 1881} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 62 and name HA )) 3.500 1.500 1.200 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.24427E-02 ppm1 1.075 ppm2 4.917 CV 1 ASSI { 1882} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HA )) 2.500 0.800 0.800 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.48748E-02 ppm1 1.072 ppm2 4.820 CV 1 ASSI { 1883} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HB2 )) 3.600 3.600 2.400 peak 1883 spectrum 1 weight 0.11000E+01 volume 0.91973E-02 ppm1 1.278 ppm2 4.069 CV 1 OR { 1883} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HB1 )) ASSI { 1885} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HE2 )) 3.800 1.800 1.500 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 1.272 ppm2 2.974 CV 1 OR { 1885} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HE1 )) ASSI { 1886} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 75 and name HE2 )) 3.800 1.800 1.200 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.15354E-02 ppm1 1.272 ppm2 2.867 CV 1 OR { 1886} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 75 and name HE1 )) ASSI { 1888} ( segid " " and resid 59 and name HG1%) ( segid " " and resid 70 and name HB% ) 2.200 0.600 0.600 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.90227E-02 ppm1 0.950 ppm2 1.302 CV 1 ASSI { 1890} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HB2 )) 2.000 0.500 0.500 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.11788E-01 ppm1 0.684 ppm2 1.177 CV 1 ASSI { 1898} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HN )) 2.600 0.800 0.800 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.40502E-02 ppm1 0.857 ppm2 8.209 CV 1 ASSI { 1901} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 108 and name HN )) 3.300 1.500 1.100 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.25128E-02 ppm1 0.863 ppm2 9.667 CV 1 OR { 1901} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 108 and name HN )) ASSI { 1907} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 48 and name HN )) 2.800 1.000 0.600 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.10894E-01 ppm1 1.255 ppm2 8.462 CV 1 ASSI { 1908} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 44 and name HD21)) 3.300 1.400 1.400 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.34587E-02 ppm1 1.257 ppm2 7.594 CV 1 ASSI { 1909} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.55595E-02 ppm1 1.256 ppm2 7.272 CV 1 ASSI { 1911} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 124 and name HN )) 4.000 2.000 2.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.21014E-02 ppm1 0.685 ppm2 6.527 CV 1 ASSI { 1914} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HA )) 2.100 0.600 0.600 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.14305E-01 ppm1 0.857 ppm2 4.427 CV 1 ASSI { 1916} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HB )) 2.100 0.600 0.600 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.13387E-01 ppm1 0.858 ppm2 3.709 CV 1 ASSI { 1917} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 107 and name HB2 )) 3.300 1.500 1.200 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.56861E-02 ppm1 0.859 ppm2 3.595 CV 1 OR { 1917} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 107 and name HB2 )) ASSI { 1918} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 17 and name HA2 )) 3.600 1.800 1.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.26812E-02 ppm1 0.857 ppm2 3.500 CV 1 ASSI { 1920} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 135 and name HB1 )) 2.500 0.800 0.800 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.41415E-02 ppm1 0.684 ppm2 3.773 CV 1 ASSI { 1923} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 75 and name HD1 )) 3.300 1.400 2.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.44750E-02 ppm1 1.261 ppm2 1.609 CV 1 OR { 1923} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 75 and name HD2 )) OR { 1923} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HD2 )) OR { 1923} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 26 and name HD1 )) OR { 1923} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 61 and name HG11)) OR { 1923} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 61 and name HG12)) ASSI { 1929} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 59 and name HN )) 4.000 2.000 2.000 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.98748E-03 ppm1 0.956 ppm2 6.894 CV 1 ASSI { 1930} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HN )) 2.600 0.800 0.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.10675E-01 ppm1 0.848 ppm2 7.520 CV 1 OR { 1930} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 83 and name HN )) ASSI { 1932} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HN )) 4.000 2.200 2.000 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.15535E-02 ppm1 1.079 ppm2 8.164 CV 1 ASSI { 1936} ( segid " " and resid 146 and name HG1%) (( segid " " and resid 146 and name HN )) 2.500 0.800 0.800 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.12151E-01 ppm1 0.932 ppm2 8.189 CV 1 OR { 1936} ( segid " " and resid 146 and name HG1%) (( segid " " and resid 146 and name HN )) OR { 1936} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 146 and name HN )) OR { 1936} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 146 and name HN )) ASSI { 1937} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HN )) 2.400 0.700 0.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.12940E-01 ppm1 0.925 ppm2 8.091 CV 1 OR { 1937} ( segid " " and resid 5 and name HG1%) (( segid " " and resid 5 and name HN )) ASSI { 1938} ( segid " " and resid 121 and name HG1%) (( segid " " and resid 121 and name HN )) 2.600 0.900 0.900 peak 1938 spectrum 1 weight 0.11000E+01 volume 0.80045E-02 ppm1 0.894 ppm2 8.733 CV 1 OR { 1938} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HN )) ASSI { 1939} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 87 and name HN )) 3.200 1.300 1.300 peak 1939 spectrum 1 weight 0.11000E+01 volume 0.33746E-02 ppm1 0.488 ppm2 8.769 CV 1 ASSI { 1940} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 88 and name HN )) 3.700 1.700 1.700 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.24623E-02 ppm1 0.491 ppm2 9.220 CV 1 ASSI { 1941} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 106 and name HN )) 3.900 1.900 1.900 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 0.489 ppm2 9.424 CV 1 ASSI { 1943} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 129 and name HN )) 2.400 0.700 0.700 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.29164E-02 ppm1 1.079 ppm2 6.666 CV 1 ASSI { 1944} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 105 and name HD% ) 3.100 1.200 1.200 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.24718E-02 ppm1 0.488 ppm2 6.967 CV 1 ASSI { 1945} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 105 and name HE% ) 3.400 1.400 1.500 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.22868E-02 ppm1 0.487 ppm2 6.735 CV 1 ASSI { 1946} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 105 and name HA )) 2.600 0.900 0.900 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.24028E-02 ppm1 0.487 ppm2 5.073 CV 1 ASSI { 1947} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 87 and name HA )) 2.600 0.800 0.800 peak 1947 spectrum 1 weight 0.11000E+01 volume 0.32316E-02 ppm1 0.488 ppm2 4.846 CV 1 ASSI { 1948} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 86 and name HA )) 4.400 2.400 1.600 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.10493E-02 ppm1 0.486 ppm2 4.664 CV 1 ASSI { 1950} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.10548E-01 ppm1 1.107 ppm2 4.504 CV 1 ASSI { 1951} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HB )) 2.800 1.000 0.500 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 4.335 CV 1 ASSI { 4653} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 15 and name HB% )) 3.300 1.500 1.500 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 1.541 CV 1 ASSI { 1942} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HN )) 3.300 1.500 1.500 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 6.750 CV 1 ASSI { 1935} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 13 and name HD21)) 3.300 1.500 1.500 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 7.312 CV 1 ASSI { 4472} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HN )) 3.300 1.500 1.500 peak 4472 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 8.733 CV 1 ASSI { 3323} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 13 and name HD22)) 3.300 1.500 1.500 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 9.455 CV 1 ASSI { 1933} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 18 and name HN )) 4.000 2.200 1.500 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 9.455 CV 1 OR { 1933} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 4637} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 129 and name HB )) 2.800 1.000 0.500 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.12445E-01 ppm1 1.100 ppm2 4.335 CV 1 ASSI { 1952} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 129 and name HA )) 2.800 1.000 1.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.91406E-02 ppm1 1.082 ppm2 4.452 CV 1 ASSI { 1954} ( segid " " and resid 146 and name HG1%) (( segid " " and resid 147 and name HD1 )) 3.800 1.800 1.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.37554E-02 ppm1 0.935 ppm2 3.871 CV 1 OR { 1954} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 147 and name HD1 )) ASSI { 1955} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 87 and name HG1%) 2.200 0.600 0.600 peak 1955 spectrum 1 weight 0.11000E+01 volume 0.14776E-01 ppm1 0.767 ppm2 0.490 CV 1 ASSI { 1957} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 87 and name HB )) 2.100 0.500 0.500 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.11038E-01 ppm1 0.487 ppm2 1.818 CV 1 ASSI { 1959} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HB )) 1.800 0.400 0.400 peak 1959 spectrum 1 weight 0.11000E+01 volume 0.39665E-01 ppm1 0.931 ppm2 2.076 CV 1 OR { 1959} ( segid " " and resid 5 and name HG1%) (( segid " " and resid 5 and name HB )) ASSI { 1963} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 148 and name HN )) 3.300 1.500 1.200 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.26306E-02 ppm1 0.932 ppm2 8.372 CV 1 OR { 1963} ( segid " " and resid 146 and name HG1%) (( segid " " and resid 148 and name HN )) ASSI { 1968} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 55 and name HN )) 2.800 1.000 0.500 peak 1968 spectrum 1 weight 0.11000E+01 volume 0.12894E-01 ppm1 1.429 ppm2 8.405 CV 1 ASSI { 1969} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 54 and name HN )) 2.500 0.800 0.800 peak 1969 spectrum 1 weight 0.11000E+01 volume 0.10149E-01 ppm1 1.427 ppm2 8.352 CV 1 ASSI { 1972} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HE1 )) 4.400 2.400 1.600 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.72183E-03 ppm1 1.091 ppm2 9.787 CV 1 ASSI { 1974} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 58 and name HN )) 3.500 1.500 1.500 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.18090E-02 ppm1 1.195 ppm2 9.649 CV 1 ASSI { 1975} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HN )) 4.500 2.500 1.500 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.61977E-03 ppm1 1.098 ppm2 9.369 CV 1 ASSI { 1976} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 73 and name HN )) 3.900 1.900 1.900 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.75720E-03 ppm1 0.264 ppm2 7.745 CV 1 ASSI { 1977} ( segid " " and resid 58 and name HB% ) ( segid " " and resid 88 and name HD% ) 3.300 1.300 1.300 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.96336E-03 ppm1 0.262 ppm2 7.117 CV 1 ASSI { 1980} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.14450E-02 ppm1 0.266 ppm2 9.648 CV 1 ASSI { 1982} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 141 and name HN )) 2.300 0.700 0.700 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.45271E-02 ppm1 1.096 ppm2 7.112 CV 1 ASSI { 1983} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 136 and name HD1 )) 3.300 1.400 1.400 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 1.097 ppm2 6.905 CV 1 ASSI { 1984} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 108 and name HE% ) 2.200 2.200 3.800 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 1.095 ppm2 6.483 CV 1 ASSI { 1986} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HA )) 3.400 1.400 1.400 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.18733E-02 ppm1 1.096 ppm2 5.197 CV 1 ASSI { 1988} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 142 and name HN )) 4.600 2.600 1.400 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 1.100 ppm2 7.530 CV 1 ASSI { 1990} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 59 and name HN )) 3.300 1.400 1.400 peak 1990 spectrum 1 weight 0.11000E+01 volume 0.25194E-02 ppm1 1.194 ppm2 6.894 CV 1 ASSI { 1992} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 55 and name HD22)) 4.300 2.300 1.700 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.14216E-02 ppm1 1.430 ppm2 7.791 CV 1 ASSI { 1993} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 72 and name HA )) 3.800 1.800 1.800 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.11004E-02 ppm1 0.263 ppm2 4.504 CV 1 ASSI { 1994} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 58 and name HA )) 2.300 0.700 0.700 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.35968E-02 ppm1 0.264 ppm2 4.271 CV 1 ASSI { 1997} ( segid " " and resid 58 and name HB% ) (( segid " " and resid 73 and name HA )) 2.200 0.600 0.600 peak 1997 spectrum 1 weight 0.11000E+01 volume 0.23618E-02 ppm1 0.262 ppm2 3.288 CV 1 ASSI { 1999} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HB )) 2.200 0.600 0.600 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.43362E-02 ppm1 1.095 ppm2 4.270 CV 1 ASSI { 2001} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 22 and name HD2%) 3.300 1.500 1.200 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.39376E-02 ppm1 1.095 ppm2 -0.013 CV 1 ASSI { 2012} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 134 and name HE% ) 3.000 1.200 1.200 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.26318E-02 ppm1 0.868 ppm2 7.095 CV 1 ASSI { 2013} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 108 and name HD% ) 2.500 0.800 0.800 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.31138E-02 ppm1 1.095 ppm2 6.730 CV 1 ASSI { 2014} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HN )) 2.300 0.700 0.700 peak 2014 spectrum 1 weight 0.11000E+01 volume 0.35027E-02 ppm1 1.094 ppm2 9.099 CV 1 ASSI { 2016} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 109 and name HN )) 3.700 1.700 1.700 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.11853E-02 ppm1 1.093 ppm2 8.346 CV 1 ASSI { 2017} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HN )) 3.800 1.800 1.800 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13336E-02 ppm1 0.866 ppm2 9.096 CV 1 ASSI { 2018} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HN )) 2.900 1.100 1.100 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.18893E-02 ppm1 0.868 ppm2 8.877 CV 1 ASSI { 2023} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 100 and name HG2 )) 2.900 1.000 1.300 peak 2023 spectrum 1 weight 0.11000E+01 volume 0.64860E-02 ppm1 2.104 ppm2 2.431 CV 1 OR { 2023} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 128 and name HG2 )) OR { 2023} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 128 and name HG1 )) ASSI { 2024} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 100 and name HG1 )) 2.400 0.700 0.700 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.76313E-02 ppm1 2.104 ppm2 2.527 CV 1 ASSI { 2027} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 129 and name HB )) 3.000 1.200 1.500 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.31383E-02 ppm1 2.104 ppm2 4.333 CV 1 ASSI { 2028} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 96 and name HB )) 4.000 2.200 2.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 2.103 ppm2 4.102 CV 1 ASSI { 2037} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 22 and name HD2%) 3.700 1.700 1.700 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.19152E-02 ppm1 -0.016 ppm2 -0.443 CV 1 ASSI { 2038} ( segid " " and resid 84 and name HD2%) ( segid " " and resid 20 and name HD% ) 3.300 1.500 1.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.27153E-02 ppm1 0.434 ppm2 7.442 CV 1 ASSI { 2040} ( segid " " and resid 84 and name HD2%) ( segid " " and resid 20 and name HE% ) 3.400 1.500 1.500 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.24509E-02 ppm1 0.435 ppm2 6.804 CV 1 ASSI { 2044} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 138 and name HG2%) 3.800 1.800 1.800 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 -0.017 ppm2 1.099 CV 1 ASSI { 2045} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 140 and name HD1%) 3.800 1.800 2.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.28585E-02 ppm1 -0.014 ppm2 0.799 CV 1 ASSI { 2047} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 45 and name HG1%) 3.500 1.500 1.500 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.32628E-02 ppm1 -0.016 ppm2 0.538 CV 1 ASSI { 2053} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 108 and name HE% ) 3.200 1.300 1.300 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.21550E-02 ppm1 -0.011 ppm2 6.465 CV 1 ASSI { 2057} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 10 and name HD1 )) 3.800 1.800 1.500 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.16368E-02 ppm1 0.738 ppm2 3.069 CV 1 ASSI { 2065} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 108 and name HE% ) 3.800 1.800 1.800 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.25615E-02 ppm1 0.640 ppm2 6.454 CV 1 ASSI { 2066} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 133 and name HE% ) 4.500 2.500 1.500 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 0.672 ppm2 6.238 CV 1 ASSI { 2068} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 124 and name HN )) 4.800 2.900 1.200 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 0.689 ppm2 6.535 CV 1 ASSI { 2069} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 123 and name HN )) 4.000 2.000 2.000 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.21944E-02 ppm1 0.688 ppm2 8.540 CV 1 ASSI { 2076} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HN )) 4.500 2.500 1.500 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.14277E-02 ppm1 0.739 ppm2 7.823 CV 1 ASSI { 2079} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 65 and name HD1 )) 2.400 0.800 0.700 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.24765E-02 ppm1 2.063 ppm2 4.018 CV 1 ASSI { 2082} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 65 and name HD2 )) 3.000 1.400 1.200 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.21468E-02 ppm1 2.067 ppm2 3.724 CV 1 ASSI { 2087} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB2 )) 2.400 2.400 3.600 peak 2087 spectrum 1 weight 0.11000E+01 volume 0.51977E-02 ppm1 0.622 ppm2 1.829 CV 1 OR { 2087} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) ASSI { 2088} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 33 and name HD1%) 3.000 1.200 1.200 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.13588E-01 ppm1 0.624 ppm2 0.887 CV 1 ASSI { 2090} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 41 and name HG12)) 3.800 1.800 1.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.25304E-02 ppm1 0.615 ppm2 1.419 CV 1 OR { 2090} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 41 and name HG11)) ASSI { 2093} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 31 and name HD% ) 3.800 1.800 1.400 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 0.620 ppm2 7.272 CV 1 ASSI { 2095} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 106 and name HD% ) 3.700 1.700 1.700 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.23870E-02 ppm1 0.619 ppm2 6.736 CV 1 OR { 2095} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 88 and name HE% ) ASSI { 2097} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 106 and name HE% ) 3.800 1.800 1.200 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.28102E-02 ppm1 0.620 ppm2 6.297 CV 1 ASSI { 2098} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 3.700 1.800 1.800 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.11854E-02 ppm1 0.617 ppm2 5.865 CV 1 ASSI { 2099} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HN )) 3.300 1.300 1.300 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.17711E-02 ppm1 0.620 ppm2 9.364 CV 1 ASSI { 2100} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 44 and name HN )) 4.900 3.000 1.100 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.67801E-03 ppm1 0.617 ppm2 8.117 CV 1 ASSI { 2108} (( segid " " and resid 98 and name HG )) (( segid " " and resid 98 and name HN )) 2.500 0.800 0.800 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.29217E-02 ppm1 1.775 ppm2 8.452 CV 1 ASSI { 2118} (( segid " " and resid 98 and name HG )) ( segid " " and resid 98 and name HD2%) 2.700 0.900 0.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.24512E-02 ppm1 1.772 ppm2 0.964 CV 1 ASSI { 2119} (( segid " " and resid 98 and name HG )) ( segid " " and resid 98 and name HD1%) 2.500 0.800 0.800 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.34307E-02 ppm1 1.774 ppm2 0.874 CV 1 ASSI { 2125} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.38143E-02 ppm1 2.255 ppm2 4.021 CV 1 ASSI { 2131} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.400 1.500 1.500 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.15613E-02 ppm1 3.537 ppm2 4.793 CV 1 ASSI { 2132} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 3.400 1.400 1.400 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 2.886 ppm2 4.789 CV 1 ASSI { 2133} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HB2 )) 2.000 0.500 0.500 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.41570E-02 ppm1 3.536 ppm2 2.887 CV 1 ASSI { 2141} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 125 and name HE% ) 3.400 1.400 1.400 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.98618E-03 ppm1 2.088 ppm2 7.281 CV 1 OR { 2141} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 125 and name HE% ) ASSI { 2157} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HB2 )) 2.300 0.700 0.700 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.10566E-02 ppm1 2.956 ppm2 2.513 CV 1 ASSI { 2158} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HB1 )) 2.200 2.200 3.800 peak 2158 spectrum 1 weight 0.11000E+01 volume 0.12371E-02 ppm1 2.954 ppm2 3.356 CV 1 ASSI { 2161} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HN )) 2.700 0.900 0.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.40220E-02 ppm1 2.093 ppm2 8.851 CV 1 OR { 2161} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HN )) ASSI { 2162} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.200 0.600 0.600 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.35005E-02 ppm1 2.121 ppm2 8.480 CV 1 ASSI { 2183} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 15 and name HN )) 4.300 2.300 1.700 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.99584E-03 ppm1 2.382 ppm2 7.760 CV 1 ASSI { 2205} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HD2 )) 3.600 1.600 1.600 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 2.384 ppm2 3.949 CV 1 OR { 2205} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HD1 )) ASSI { 2207} (( segid " " and resid 100 and name HG1 )) (( segid " " and resid 100 and name HA )) 4.000 2.000 2.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.12097E-02 ppm1 2.513 ppm2 4.680 CV 1 ASSI { 2209} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 96 and name HN )) 3.500 1.500 2.000 peak 2209 spectrum 1 weight 0.11000E+01 volume 0.12059E-02 ppm1 2.392 ppm2 7.088 CV 1 ASSI { 2214} (( segid " " and resid 100 and name HG2 )) (( segid " " and resid 100 and name HN )) 3.100 1.200 1.200 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.17565E-02 ppm1 2.428 ppm2 8.565 CV 1 ASSI { 2230} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HA )) 2.700 0.900 0.900 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.37407E-02 ppm1 1.822 ppm2 4.347 CV 1 ASSI { 2247} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 90 and name HN )) 3.300 1.500 1.000 peak 2247 spectrum 1 weight 0.11000E+01 volume 0.12928E-02 ppm1 2.113 ppm2 9.235 CV 1 OR { 2247} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 90 and name HN )) ASSI { 2248} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HN )) 3.600 1.600 1.600 peak 2248 spectrum 1 weight 0.11000E+01 volume 0.88839E-03 ppm1 2.126 ppm2 9.123 CV 1 OR { 2248} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HN )) ASSI { 2251} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HN )) 3.700 1.700 1.700 peak 2251 spectrum 1 weight 0.11000E+01 volume 0.36594E-02 ppm1 2.368 ppm2 8.166 CV 1 ASSI { 2256} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HN )) 2.200 0.600 0.600 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.55804E-02 ppm1 1.844 ppm2 7.584 CV 1 OR { 2256} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HN )) ASSI { 2258} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 82 and name HN )) 2.800 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.26048E-02 ppm1 2.375 ppm2 6.828 CV 1 ASSI { 2259} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.400 0.700 0.700 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.52464E-02 ppm1 1.846 ppm2 4.525 CV 1 OR { 2259} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HA )) ASSI { 2260} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.12518E-02 ppm1 1.886 ppm2 4.887 CV 1 ASSI { 2261} (( segid " " and resid 87 and name HB )) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.16322E-02 ppm1 1.838 ppm2 4.836 CV 1 ASSI { 2263} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 2.112 ppm2 5.151 CV 1 ASSI { 2264} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HA )) 2.500 0.800 0.800 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.38828E-02 ppm1 2.430 ppm2 4.015 CV 1 ASSI { 2265} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HA )) 3.200 1.300 1.300 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.31282E-02 ppm1 2.368 ppm2 4.015 CV 1 ASSI { 2274} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HD1 )) 3.600 1.600 1.600 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.77736E-03 ppm1 1.895 ppm2 2.892 CV 1 ASSI { 2286} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 30 and name HN )) 4.400 2.400 1.600 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 1.894 ppm2 7.356 CV 1 ASSI { 2302} (( segid " " and resid 11 and name HB )) ( segid " " and resid 11 and name HG2%) 2.500 0.800 0.800 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.30217E-02 ppm1 2.245 ppm2 1.278 CV 1 ASSI { 2304} (( segid " " and resid 128 and name HG2 )) ( segid " " and resid 96 and name HG2%) 4.000 2.200 2.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.13802E-02 ppm1 2.367 ppm2 1.258 CV 1 ASSI { 2305} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 129 and name HG2%) 4.600 2.600 1.400 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.12717E-02 ppm1 2.430 ppm2 1.088 CV 1 ASSI { 2306} (( segid " " and resid 128 and name HG2 )) ( segid " " and resid 129 and name HG2%) 4.500 2.500 1.500 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.99147E-03 ppm1 2.363 ppm2 1.082 CV 1 ASSI { 2317} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.31936E-02 ppm1 2.385 ppm2 3.574 CV 1 ASSI { 2328} (( segid " " and resid 109 and name HB )) (( segid " " and resid 110 and name HN )) 3.600 1.600 1.600 peak 2328 spectrum 1 weight 0.11000E+01 volume 0.98147E-03 ppm1 1.194 ppm2 9.134 CV 1 ASSI { 2329} (( segid " " and resid 109 and name HB )) (( segid " " and resid 109 and name HN )) 3.100 1.200 1.200 peak 2329 spectrum 1 weight 0.11000E+01 volume 0.21281E-02 ppm1 1.195 ppm2 8.343 CV 1 ASSI { 2332} (( segid " " and resid 59 and name HB )) ( segid " " and resid 59 and name HG2%) 2.600 0.800 0.800 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.17686E-02 ppm1 1.873 ppm2 1.159 CV 1 ASSI { 2333} (( segid " " and resid 109 and name HB )) ( segid " " and resid 109 and name HG2%) 2.500 0.800 0.800 peak 2333 spectrum 1 weight 0.11000E+01 volume 0.49083E-02 ppm1 1.187 ppm2 0.871 CV 1 ASSI { 2240} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 129 and name HB )) 3.000 1.200 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.54980E-02 ppm1 2.374 ppm2 4.339 CV 1 OR { 2240} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 129 and name HB )) ASSI { 2353} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.66431E-02 ppm1 2.837 ppm2 4.352 CV 1 OR { 2353} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI { 2356} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HB2 )) 1.300 0.200 0.900 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.26414E-01 ppm1 3.137 ppm2 2.842 CV 1 ASSI { 2360} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HA )) 3.300 1.300 1.300 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.22471E-02 ppm1 2.139 ppm2 3.788 CV 1 OR { 2360} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HA )) ASSI { 2363} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HA )) 3.500 1.600 1.600 peak 2363 spectrum 1 weight 0.11000E+01 volume 0.10611E-02 ppm1 2.219 ppm2 5.147 CV 1 ASSI { 2377} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HD22)) 3.700 1.700 1.700 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.27091E-02 ppm1 3.137 ppm2 7.587 CV 1 ASSI { 2378} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 57 and name HN )) 4.000 2.000 2.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.30100E-02 ppm1 2.840 ppm2 7.587 CV 1 OR { 2378} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 57 and name HN )) ASSI { 2282} (( segid " " and resid 83 and name HB )) (( segid " " and resid 84 and name HN )) 4.000 2.200 1.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 1.986 ppm2 8.303 CV 1 ASSI { 2385} (( segid " " and resid 48 and name HG1 )) ( segid " " and resid 73 and name HD1%) 3.700 1.700 1.700 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.14282E-02 ppm1 2.120 ppm2 0.639 CV 1 OR { 2385} (( segid " " and resid 48 and name HG2 )) ( segid " " and resid 73 and name HD1%) ASSI { 2386} (( segid " " and resid 48 and name HG1 )) ( segid " " and resid 73 and name HD2%) 4.100 2.100 1.900 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.15761E-02 ppm1 2.135 ppm2 0.841 CV 1 OR { 2386} (( segid " " and resid 48 and name HG2 )) ( segid " " and resid 73 and name HD2%) ASSI { 2288} (( segid " " and resid 11 and name HB )) (( segid " " and resid 12 and name HN )) 4.000 2.200 1.400 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.66602E-03 ppm1 2.238 ppm2 7.989 CV 1 ASSI { 2389} (( segid " " and resid 89 and name HG2 )) ( segid " " and resid 87 and name HG2%) 3.600 1.600 1.600 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 2.221 ppm2 0.767 CV 1 ASSI { 2391} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 54 and name HB% ) 5.600 3.900 0.400 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.99775E-03 ppm1 2.891 ppm2 1.426 CV 1 ASSI { 2392} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 54 and name HB% ) 5.000 3.100 1.000 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.80421E-03 ppm1 2.800 ppm2 1.430 CV 1 ASSI { 2398} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HN )) 3.200 1.300 1.300 peak 2398 spectrum 1 weight 0.11000E+01 volume 0.23352E-02 ppm1 2.481 ppm2 9.082 CV 1 ASSI { 2400} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HN )) 3.000 1.200 1.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 2.933 ppm2 8.179 CV 1 ASSI { 2401} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 8 and name HN )) 3.500 1.600 1.600 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 2.933 ppm2 8.179 CV 1 ASSI { 2402} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 8 and name HN )) 3.500 1.600 1.600 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 2.744 ppm2 8.177 CV 1 ASSI { 2404} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HN )) 3.600 1.700 1.700 peak 2404 spectrum 1 weight 0.11000E+01 volume 0.13859E-02 ppm1 3.263 ppm2 8.459 CV 1 ASSI { 2407} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HN )) 3.900 1.900 1.900 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 3.095 ppm2 9.234 CV 1 ASSI { 2408} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HD21)) 2.900 1.000 1.000 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.26714E-02 ppm1 2.930 ppm2 7.631 CV 1 ASSI { 2409} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HD21)) 2.600 0.800 0.800 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.27907E-02 ppm1 2.855 ppm2 7.611 CV 1 ASSI { 2410} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD21)) 2.800 1.000 1.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.30134E-02 ppm1 2.744 ppm2 7.631 CV 1 OR { 2410} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HD21)) ASSI { 2412} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HD22)) 4.100 2.100 1.900 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.16441E-02 ppm1 2.932 ppm2 6.948 CV 1 ASSI { 2413} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HD22)) 4.200 2.200 1.800 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.10828E-02 ppm1 2.860 ppm2 6.926 CV 1 ASSI { 2415} (( segid " " and resid 88 and name HB1 )) ( segid " " and resid 88 and name HD% ) 3.200 1.300 1.300 peak 2415 spectrum 1 weight 0.11000E+01 volume 0.85640E-03 ppm1 3.266 ppm2 7.105 CV 1 ASSI { 2417} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 3.000 1.100 1.100 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.26144E-02 ppm1 2.857 ppm2 4.789 CV 1 ASSI { 2419} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 81 and name HA )) 2.400 0.700 0.700 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.68645E-02 ppm1 2.830 ppm2 4.223 CV 1 ASSI { 2420} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.57561E-02 ppm1 2.480 ppm2 4.223 CV 1 ASSI { 2421} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 2421 spectrum 1 weight 0.11000E+01 volume 0.26045E-02 ppm1 3.095 ppm2 4.227 CV 1 ASSI { 2422} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HB1 )) 1.700 0.300 0.500 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.10544E-01 ppm1 2.721 ppm2 3.095 CV 1 ASSI { 2426} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 81 and name HB2 )) 1.500 0.300 0.700 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.26138E-01 ppm1 2.830 ppm2 2.483 CV 1 ASSI { 2429} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 2429 spectrum 1 weight 0.11000E+01 volume 0.34102E-02 ppm1 2.615 ppm2 4.724 CV 1 ASSI { 2430} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HB2 )) 2.200 0.600 0.600 peak 2430 spectrum 1 weight 0.11000E+01 volume 0.16171E-02 ppm1 3.251 ppm2 2.290 CV 1 ASSI { 2433} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 72 and name HG2 )) 3.000 1.100 1.100 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 3.094 ppm2 1.682 CV 1 ASSI { 2438} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 83 and name HG2%) 3.900 1.900 1.900 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 2.478 ppm2 0.851 CV 1 OR { 2438} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 83 and name HG1%) ASSI { 2452} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HG )) 2.900 2.900 3.100 peak 2452 spectrum 1 weight 0.11000E+01 volume 0.11110E-02 ppm1 1.259 ppm2 0.929 CV 1 OR { 2452} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG )) ASSI { 2460} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 22 and name HD2%) 2.800 1.000 1.000 peak 2460 spectrum 1 weight 0.11000E+01 volume 0.17786E-02 ppm1 1.237 ppm2 -0.447 CV 1 OR { 2460} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 22 and name HD2%) ASSI { 2462} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.33242E-02 ppm1 2.922 ppm2 4.723 CV 1 ASSI { 2463} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 79 and name HD% ) 2.900 1.100 1.100 peak 2463 spectrum 1 weight 0.11000E+01 volume 0.17352E-02 ppm1 3.046 ppm2 6.809 CV 1 ASSI { 2464} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 79 and name HD% ) 2.800 1.000 1.000 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.18435E-02 ppm1 2.571 ppm2 6.807 CV 1 ASSI { 2465} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 20 and name HD% ) 2.900 1.100 1.100 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.82753E-03 ppm1 3.002 ppm2 7.441 CV 1 ASSI { 2466} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 20 and name HD% ) 3.100 1.200 1.200 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.12069E-02 ppm1 2.644 ppm2 7.439 CV 1 ASSI { 2468} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HN )) 3.700 1.700 1.700 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.14338E-02 ppm1 2.927 ppm2 8.294 CV 1 ASSI { 2472} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) 2.600 2.600 3.400 peak 2472 spectrum 1 weight 0.11000E+01 volume 0.19654E-02 ppm1 1.269 ppm2 4.357 CV 1 OR { 2472} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) ASSI { 2474} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 3.000 3.000 3.000 peak 2474 spectrum 1 weight 0.11000E+01 volume 0.75081E-03 ppm1 1.272 ppm2 8.191 CV 1 OR { 2474} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) ASSI { 2477} (( segid " " and resid 105 and name HB1 )) ( segid " " and resid 105 and name HD% ) 2.800 2.800 3.200 peak 2477 spectrum 1 weight 0.11000E+01 volume 0.19438E-02 ppm1 3.054 ppm2 6.953 CV 1 ASSI { 2480} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 105 and name HA )) 2.700 2.700 3.300 peak 2480 spectrum 1 weight 0.11000E+01 volume 0.16884E-02 ppm1 3.050 ppm2 5.064 CV 1 ASSI { 2481} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HA )) 2.900 2.900 3.100 peak 2481 spectrum 1 weight 0.11000E+01 volume 0.13878E-02 ppm1 2.641 ppm2 5.048 CV 1 ASSI { 2482} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HA )) 2.900 1.000 1.000 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.37757E-02 ppm1 2.723 ppm2 4.690 CV 1 ASSI { 2490} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD% ) 2.900 1.100 1.100 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 2.764 ppm2 7.292 CV 1 ASSI { 2493} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.95115E-03 ppm1 2.706 ppm2 7.296 CV 1 ASSI { 2514} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HG2 )) 2.400 0.700 0.700 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.84643E-02 ppm1 2.905 ppm2 1.216 CV 1 OR { 2514} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HG1 )) OR { 2514} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HG2 )) OR { 2514} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HG1 )) ASSI { 2515} (( segid " " and resid 75 and name HE1 )) ( segid " " and resid 73 and name HD2%) 2.800 1.000 1.000 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.49581E-02 ppm1 2.906 ppm2 0.840 CV 1 OR { 2515} (( segid " " and resid 75 and name HE2 )) ( segid " " and resid 73 and name HD2%) ASSI { 2516} (( segid " " and resid 75 and name HE1 )) ( segid " " and resid 73 and name HD1%) 2.200 0.600 0.600 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.56431E-02 ppm1 2.906 ppm2 0.640 CV 1 OR { 2516} (( segid " " and resid 75 and name HE2 )) ( segid " " and resid 73 and name HD1%) ASSI { 2520} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HA )) 2.600 0.800 0.800 peak 2520 spectrum 1 weight 0.11000E+01 volume 0.25196E-02 ppm1 2.202 ppm2 4.898 CV 1 ASSI { 2522} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 106 and name HD% ) 2.900 1.000 1.000 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.12083E-02 ppm1 2.145 ppm2 6.744 CV 1 ASSI { 2523} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 108 and name HE% ) 3.500 1.500 1.500 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.75659E-03 ppm1 2.130 ppm2 6.456 CV 1 ASSI { 2524} (( segid " " and resid 33 and name HB )) (( segid " " and resid 34 and name HN )) 3.700 1.700 1.400 peak 2524 spectrum 1 weight 0.11000E+01 volume 0.28776E-02 ppm1 2.207 ppm2 8.324 CV 1 ASSI { 2525} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HN )) 3.000 1.100 1.100 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.87740E-03 ppm1 2.140 ppm2 9.424 CV 1 ASSI { 2528} (( segid " " and resid 125 and name HB1 )) ( segid " " and resid 134 and name HE% ) 4.200 2.200 1.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.88713E-03 ppm1 3.377 ppm2 7.113 CV 1 ASSI { 2530} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HN )) 3.200 1.300 1.300 peak 2530 spectrum 1 weight 0.11000E+01 volume 0.17961E-02 ppm1 3.115 ppm2 7.529 CV 1 ASSI { 2533} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HA )) 3.100 1.200 1.200 peak 2533 spectrum 1 weight 0.11000E+01 volume 0.12841E-02 ppm1 3.348 ppm2 4.863 CV 1 ASSI { 2538} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HN )) 3.000 1.200 1.200 peak 2538 spectrum 1 weight 0.11000E+01 volume 0.88185E-03 ppm1 2.609 ppm2 9.762 CV 1 ASSI { 2546} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 2546 spectrum 1 weight 0.11000E+01 volume 0.11523E-02 ppm1 1.291 ppm2 5.246 CV 1 ASSI { 2551} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 30 and name HN )) 4.300 2.300 1.700 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.98261E-03 ppm1 2.496 ppm2 7.334 CV 1 ASSI { 2552} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HE )) 2.800 1.000 1.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.18901E-02 ppm1 2.504 ppm2 6.838 CV 1 ASSI { 2554} (( segid " " and resid 125 and name HB1 )) ( segid " " and resid 125 and name HD% ) 3.100 1.200 1.200 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 3.381 ppm2 7.413 CV 1 ASSI { 2555} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 125 and name HD% ) 3.300 1.400 1.400 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.86290E-03 ppm1 3.026 ppm2 7.409 CV 1 ASSI { 2557} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HB1 )) 2.100 0.500 0.500 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.33628E-02 ppm1 3.115 ppm2 3.362 CV 1 ASSI { 2560} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HB1 )) 2.800 1.000 1.000 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.52206E-02 ppm1 3.181 ppm2 1.673 CV 1 OR { 2560} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HB2 )) OR { 2560} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HB2 )) OR { 2560} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HB1 )) ASSI { 2561} (( segid " " and resid 85 and name HE2 )) (( segid " " and resid 85 and name HD1 )) 2.800 1.000 1.000 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 2.781 ppm2 1.464 CV 1 OR { 2561} (( segid " " and resid 85 and name HE2 )) (( segid " " and resid 85 and name HD2 )) ASSI { 2564} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HA )) 4.100 2.100 1.900 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.16192E-02 ppm1 3.158 ppm2 4.221 CV 1 OR { 2564} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HA )) ASSI { 2566} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 91 and name HN )) 3.400 1.400 1.400 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 3.475 ppm2 8.524 CV 1 ASSI { 2572} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 135 and name HN )) 2.900 1.100 1.100 peak 2572 spectrum 1 weight 0.11000E+01 volume 0.92734E-03 ppm1 2.287 ppm2 9.083 CV 1 ASSI { 2573} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 135 and name HN )) 4.200 2.200 1.800 peak 2573 spectrum 1 weight 0.11000E+01 volume 0.84457E-03 ppm1 1.856 ppm2 9.088 CV 1 ASSI { 2575} (( segid " " and resid 134 and name HB2 )) ( segid " " and resid 134 and name HD% ) 2.900 1.000 1.000 peak 2575 spectrum 1 weight 0.11000E+01 volume 0.90132E-03 ppm1 1.852 ppm2 6.617 CV 1 ASSI { 2576} (( segid " " and resid 134 and name HB1 )) ( segid " " and resid 134 and name HD% ) 3.000 1.100 1.100 peak 2576 spectrum 1 weight 0.11000E+01 volume 0.11357E-02 ppm1 2.290 ppm2 6.618 CV 1 ASSI { 2577} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HE )) 2.700 0.900 0.900 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.21266E-02 ppm1 3.069 ppm2 6.909 CV 1 ASSI { 2578} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HE )) 2.800 1.000 1.000 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.22579E-02 ppm1 2.957 ppm2 6.906 CV 1 ASSI { 2583} (( segid " " and resid 17 and name HA2 )) (( segid " " and resid 17 and name HA1 )) 2.000 0.500 0.500 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.44115E-02 ppm1 3.502 ppm2 4.178 CV 1 ASSI { 2584} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 64 and name HA2 )) 1.800 0.400 0.400 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.51319E-02 ppm1 4.258 ppm2 3.567 CV 1 ASSI { 2586} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 65 and name HD2 )) 2.800 1.000 0.900 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.26659E-02 ppm1 4.255 ppm2 3.721 CV 1 ASSI { 4551} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 63 and name HA )) 4.500 2.500 1.500 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.26659E-02 ppm1 4.262 ppm2 4.824 CV 1 ASSI { 4550} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 63 and name HA )) 4.000 2.200 2.000 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.26659E-02 ppm1 3.573 ppm2 4.824 CV 1 ASSI { 2587} (( segid " " and resid 91 and name HA1 )) (( segid " " and resid 91 and name HA2 )) 2.000 0.500 0.500 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.19902E-02 ppm1 4.055 ppm2 3.465 CV 1 ASSI { 2588} (( segid " " and resid 30 and name HA1 )) (( segid " " and resid 30 and name HA2 )) 1.900 0.500 0.500 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 4.574 ppm2 3.582 CV 1 ASSI { 2602} (( segid " " and resid 30 and name HA1 )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 4.567 ppm2 9.205 CV 1 ASSI { 2603} (( segid " " and resid 64 and name HA1 )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.31362E-02 ppm1 4.259 ppm2 8.986 CV 1 ASSI { 2605} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 117 and name HN )) 4.100 2.100 1.900 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.11060E-02 ppm1 4.209 ppm2 8.688 CV 1 ASSI { 4625} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 117 and name HN )) 4.500 2.500 1.500 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.11060E-02 ppm1 4.028 ppm2 8.688 CV 1 ASSI { 2607} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 2607 spectrum 1 weight 0.11000E+01 volume 0.12213E-02 ppm1 1.186 ppm2 8.895 CV 1 ASSI { 2608} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 3.300 1.100 1.100 peak 2608 spectrum 1 weight 0.11000E+01 volume 0.12169E-02 ppm1 1.334 ppm2 8.706 CV 1 ASSI { 2609} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 4.000 2.200 1.500 peak 2609 spectrum 1 weight 0.11000E+01 volume 0.70676E-03 ppm1 1.193 ppm2 8.711 CV 1 ASSI { 2618} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.600 0.900 0.900 peak 2618 spectrum 1 weight 0.11000E+01 volume 0.16341E-02 ppm1 1.329 ppm2 5.032 CV 1 ASSI { 2619} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 2619 spectrum 1 weight 0.11000E+01 volume 0.10317E-02 ppm1 1.193 ppm2 5.034 CV 1 ASSI { 2622} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) 2.500 0.800 0.800 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.41593E-02 ppm1 1.332 ppm2 0.514 CV 1 OR { 2622} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) ASSI { 2623} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HB1 )) 4.000 2.200 2.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.76519E-03 ppm1 3.563 ppm2 2.074 CV 1 OR { 2623} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HB2 )) OR { 2623} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HG2 )) ASSI { 2631} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HG1 )) 2.600 0.800 0.800 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 3.062 ppm2 1.623 CV 1 ASSI { 2635} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 2.964 ppm2 1.525 CV 1 ASSI { 2636} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HG2 )) 3.200 1.300 1.300 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.13761E-02 ppm1 3.061 ppm2 1.433 CV 1 ASSI { 2637} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HB2 )) 1.800 0.100 0.600 peak 2637 spectrum 1 weight 0.11000E+01 volume 0.44393E-02 ppm1 1.331 ppm2 1.203 CV 1 ASSI { 2638} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 11 and name HB )) 3.800 1.800 1.300 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.12925E-02 ppm1 1.333 ppm2 2.241 CV 1 ASSI { 2640} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 11 and name HB )) 3.300 1.500 0.900 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 1.194 ppm2 2.246 CV 1 ASSI { 2642} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 11 and name HG1%) 3.500 1.500 1.300 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.11456E-02 ppm1 1.206 ppm2 0.702 CV 1 ASSI { 2645} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) 2.700 0.900 0.900 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.28541E-02 ppm1 1.195 ppm2 0.513 CV 1 OR { 2645} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) ASSI { 2647} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HG )) 2.900 1.000 1.000 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.16036E-02 ppm1 1.557 ppm2 1.061 CV 1 ASSI { 2648} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 68 and name HD2%) 3.100 1.200 1.200 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.10918E-02 ppm1 1.552 ppm2 0.480 CV 1 ASSI { 2650} (( segid " " and resid 17 and name HA1 )) ( segid " " and resid 12 and name HG2%) 4.200 2.200 1.800 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.16081E-02 ppm1 4.177 ppm2 0.864 CV 1 ASSI { 2651} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HD1 )) 4.000 2.200 1.800 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.30383E-02 ppm1 3.569 ppm2 4.022 CV 1 ASSI { 2652} (( segid " " and resid 64 and name HA2 )) (( segid " " and resid 65 and name HD2 )) 4.000 2.200 2.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.30943E-02 ppm1 3.567 ppm2 3.721 CV 1 ASSI { 2655} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 115 and name HA1 )) 1.600 0.300 0.600 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.16847E-01 ppm1 4.023 ppm2 4.189 CV 1 ASSI { 2657} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 56 and name HN )) 2.300 0.700 0.700 peak 2657 spectrum 1 weight 0.11000E+01 volume 0.49543E-02 ppm1 3.993 ppm2 8.438 CV 1 ASSI { 2662} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 57 and name HN )) 3.300 1.500 1.500 peak 2662 spectrum 1 weight 0.11000E+01 volume 0.12166E-02 ppm1 3.987 ppm2 7.566 CV 1 ASSI { 2667} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HA )) 3.300 1.400 1.400 peak 2667 spectrum 1 weight 0.11000E+01 volume 0.10552E-02 ppm1 1.560 ppm2 4.498 CV 1 ASSI { 2668} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 56 and name HA2 )) 1.900 0.400 0.400 peak 2668 spectrum 1 weight 0.11000E+01 volume 0.58744E-02 ppm1 3.992 ppm2 3.625 CV 1 ASSI { 2671} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HN )) 3.500 1.500 1.500 peak 2671 spectrum 1 weight 0.11000E+01 volume 0.62673E-03 ppm1 1.613 ppm2 8.500 CV 1 ASSI { 2672} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HN )) 3.200 1.300 1.300 peak 2672 spectrum 1 weight 0.11000E+01 volume 0.65998E-03 ppm1 1.295 ppm2 8.497 CV 1 ASSI { 2673} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 108 and name HE% ) 3.000 1.100 1.100 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 1.619 ppm2 6.454 CV 1 ASSI { 2674} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 108 and name HE% ) 2.800 1.000 1.000 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.11753E-02 ppm1 1.293 ppm2 6.456 CV 1 ASSI { 2685} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HB2 )) 2.000 0.500 0.500 peak 2685 spectrum 1 weight 0.11000E+01 volume 0.16260E-02 ppm1 1.622 ppm2 1.294 CV 1 ASSI { 2701} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 93 and name HD2 )) 2.100 0.500 0.500 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.22070E-02 ppm1 3.672 ppm2 4.088 CV 1 ASSI { 2702} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HD1 )) 1.800 0.400 0.400 peak 2702 spectrum 1 weight 0.11000E+01 volume 0.42358E-02 ppm1 3.725 ppm2 4.018 CV 1 ASSI { 2704} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HD1 )) 2.400 0.700 0.700 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.24563E-02 ppm1 4.395 ppm2 3.950 CV 1 OR { 2704} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HD2 )) ASSI { 2705} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HB1 )) 4.600 2.600 1.400 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.80863E-03 ppm1 4.081 ppm2 2.372 CV 1 ASSI { 2706} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HB1 )) 3.600 1.600 1.600 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.14176E-02 ppm1 3.869 ppm2 2.255 CV 1 ASSI { 2707} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HG1 )) 2.600 0.800 0.800 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.25700E-02 ppm1 4.024 ppm2 2.083 CV 1 ASSI { 2708} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HG2 )) 3.000 1.100 1.100 peak 2708 spectrum 1 weight 0.11000E+01 volume 0.20773E-02 ppm1 4.020 ppm2 1.878 CV 1 ASSI { 2709} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HB1 )) 3.900 1.900 1.900 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 3.654 ppm2 2.250 CV 1 ASSI { 2710} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HB1 )) 4.400 2.400 1.600 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.10469E-02 ppm1 3.720 ppm2 2.236 CV 1 ASSI { 2712} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HG1 )) 3.100 1.200 1.200 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 3.714 ppm2 2.069 CV 1 ASSI { 2713} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HG2 )) 2.500 0.800 0.800 peak 2713 spectrum 1 weight 0.11000E+01 volume 0.19180E-02 ppm1 3.721 ppm2 1.883 CV 1 ASSI { 2718} (( segid " " and resid 93 and name HD2 )) (( segid " " and resid 92 and name HA )) 2.900 1.100 1.100 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.92251E-03 ppm1 4.110 ppm2 4.922 CV 1 ASSI { 2721} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 92 and name HA )) 2.900 1.100 1.100 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.14516E-02 ppm1 3.672 ppm2 4.916 CV 1 ASSI { 2722} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.86573E-03 ppm1 3.725 ppm2 8.981 CV 1 ASSI { 2723} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 146 and name HN )) 4.200 2.200 1.800 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.83499E-03 ppm1 3.872 ppm2 8.189 CV 1 ASSI { 2724} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 66 and name HN )) 4.300 2.300 1.700 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.91159E-03 ppm1 3.642 ppm2 8.191 CV 1 ASSI { 2725} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 146 and name HN )) 4.700 2.700 1.300 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.91159E-03 ppm1 3.642 ppm2 8.191 CV 1 ASSI { 2729} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 66 and name HN )) 4.300 2.300 1.700 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.92433E-03 ppm1 4.024 ppm2 7.594 CV 1 ASSI { 2737} (( segid " " and resid 147 and name HD2 )) ( segid " " and resid 146 and name HG1%) 3.400 1.500 1.500 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.27568E-02 ppm1 3.646 ppm2 0.939 CV 1 OR { 2737} (( segid " " and resid 147 and name HD2 )) ( segid " " and resid 146 and name HG2%) ASSI { 2739} (( segid " " and resid 141 and name HA )) ( segid " " and resid 84 and name HD2%) 2.800 1.000 1.000 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.21742E-02 ppm1 4.555 ppm2 0.436 CV 1 ASSI { 2744} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 94 and name HA )) 3.000 1.200 1.200 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 4.077 ppm2 5.156 CV 1 ASSI { 2745} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 94 and name HA )) 3.300 1.500 1.200 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.11970E-02 ppm1 4.077 ppm2 5.156 CV 1 ASSI { 2746} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HD2 )) 2.100 0.600 0.600 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.19036E-02 ppm1 4.396 ppm2 4.075 CV 1 ASSI { 2747} (( segid " " and resid 141 and name HA )) ( segid " " and resid 20 and name HE% ) 3.600 3.600 2.400 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.15964E-02 ppm1 4.557 ppm2 6.811 CV 1 ASSI { 2751} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 64 and name HN )) 4.900 2.900 1.100 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.95427E-03 ppm1 4.018 ppm2 8.994 CV 1 OR { 2751} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 39 and name HE )) ASSI { 2722} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 64 and name HN )) 4.900 2.900 1.100 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.95427E-03 ppm1 4.018 ppm2 8.994 CV 1 OR { 2722} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 39 and name HE )) ASSI { 2760} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HG1 )) 2.700 0.900 0.900 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 4.387 ppm2 2.144 CV 1 ASSI { 2761} (( segid " " and resid 119 and name HA )) ( segid " " and resid 33 and name HG2%) 4.200 2.200 1.800 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.11432E-02 ppm1 4.380 ppm2 0.951 CV 1 ASSI { 2762} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HN )) 2.300 0.700 0.700 peak 2762 spectrum 1 weight 0.11000E+01 volume 0.16739E-02 ppm1 4.035 ppm2 9.647 CV 1 ASSI { 2763} (( segid " " and resid 58 and name HA )) (( segid " " and resid 49 and name HN )) 2.600 0.800 0.800 peak 2763 spectrum 1 weight 0.11000E+01 volume 0.24110E-02 ppm1 4.269 ppm2 8.688 CV 1 ASSI { 2767} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HN )) 2.500 0.800 0.800 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.36968E-02 ppm1 4.394 ppm2 7.722 CV 1 ASSI { 2769} (( segid " " and resid 57 and name HA )) (( segid " " and resid 59 and name HN )) 4.000 2.000 2.000 peak 2769 spectrum 1 weight 0.11000E+01 volume 0.98778E-03 ppm1 4.038 ppm2 6.897 CV 1 ASSI { 2777} (( segid " " and resid 57 and name HA )) ( segid " " and resid 58 and name HB% ) 4.200 2.200 1.800 peak 2777 spectrum 1 weight 0.11000E+01 volume 0.11953E-02 ppm1 4.036 ppm2 0.269 CV 1 ASSI { 2779} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD1%) 4.000 2.000 2.000 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.10267E-02 ppm1 5.864 ppm2 0.638 CV 1 OR { 2779} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD2%) ASSI { 2780} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 3.400 1.400 1.400 peak 2780 spectrum 1 weight 0.11000E+01 volume 0.12456E-02 ppm1 5.642 ppm2 2.597 CV 1 ASSI { 2781} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HN )) 2.200 0.600 0.600 peak 2781 spectrum 1 weight 0.11000E+01 volume 0.36139E-02 ppm1 5.250 ppm2 9.066 CV 1 ASSI { 2782} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 2.100 0.600 0.600 peak 2782 spectrum 1 weight 0.11000E+01 volume 0.33355E-02 ppm1 5.643 ppm2 9.766 CV 1 ASSI { 2785} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 2785 spectrum 1 weight 0.11000E+01 volume 0.21850E-02 ppm1 5.446 ppm2 9.370 CV 1 ASSI { 2786} (( segid " " and resid 88 and name HA )) ( segid " " and resid 88 and name HD% ) 2.300 0.700 0.700 peak 2786 spectrum 1 weight 0.11000E+01 volume 0.21935E-02 ppm1 5.380 ppm2 7.121 CV 1 ASSI { 2788} (( segid " " and resid 86 and name HA )) (( segid " " and resid 87 and name HN )) 2.400 0.700 0.700 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.27642E-02 ppm1 4.663 ppm2 8.759 CV 1 ASSI { 2792} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD2%) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.11000E+01 volume 0.94586E-03 ppm1 4.360 ppm2 -0.452 CV 1 ASSI { 2793} (( segid " " and resid 85 and name HA )) (( segid " " and resid 107 and name HA )) 2.500 0.800 0.800 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.20325E-02 ppm1 5.593 ppm2 5.156 CV 1 ASSI { 2800} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 2.800 1.000 1.000 peak 2800 spectrum 1 weight 0.11000E+01 volume 0.25099E-02 ppm1 4.487 ppm2 7.070 CV 1 ASSI { 2801} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HN )) 3.300 1.500 1.200 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.29262E-02 ppm1 4.563 ppm2 9.624 CV 1 ASSI { 2802} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.000 0.500 0.500 peak 2802 spectrum 1 weight 0.11000E+01 volume 0.95088E-02 ppm1 4.489 ppm2 8.454 CV 1 ASSI { 2804} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) 2.800 1.000 1.000 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.30099E-02 ppm1 4.560 ppm2 8.168 CV 1 ASSI { 2805} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 2.700 0.900 0.900 peak 2805 spectrum 1 weight 0.11000E+01 volume 0.37040E-02 ppm1 4.488 ppm2 2.701 CV 1 ASSI { 2806} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB1 )) 2.500 0.800 0.800 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.68185E-02 ppm1 4.563 ppm2 2.633 CV 1 OR { 2806} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) ASSI { 2807} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 2807 spectrum 1 weight 0.11000E+01 volume 0.26146E-02 ppm1 4.490 ppm2 2.573 CV 1 ASSI { 2808} (( segid " " and resid 19 and name HA )) ( segid " " and resid 12 and name HG2%) 3.800 1.800 1.300 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 4.252 ppm2 0.861 CV 1 ASSI { 2813} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD1%) 3.400 3.400 2.600 peak 2813 spectrum 1 weight 0.11000E+01 volume 0.36923E-02 ppm1 4.361 ppm2 -0.010 CV 1 ASSI { 2817} (( segid " " and resid 10 and name HA )) ( segid " " and resid 77 and name HD2%) 3.500 1.500 1.400 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.13158E-02 ppm1 5.365 ppm2 0.520 CV 1 OR { 2817} (( segid " " and resid 10 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 2819} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB1 )) 3.200 1.300 1.300 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.12118E-02 ppm1 5.358 ppm2 1.792 CV 1 ASSI { 2820} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HD1 )) 4.800 2.900 1.200 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.90254E-03 ppm1 5.365 ppm2 3.076 CV 1 ASSI { 2827} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 2.300 0.600 0.600 peak 2827 spectrum 1 weight 0.11000E+01 volume 0.32407E-02 ppm1 5.362 ppm2 8.842 CV 1 ASSI { 2828} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HN )) 2.200 0.600 0.600 peak 2828 spectrum 1 weight 0.11000E+01 volume 0.45492E-02 ppm1 5.629 ppm2 8.504 CV 1 ASSI { 2829} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HD% ) 3.100 1.200 1.200 peak 2829 spectrum 1 weight 0.11000E+01 volume 0.15209E-02 ppm1 5.652 ppm2 7.412 CV 1 ASSI { 2830} (( segid " " and resid 10 and name HA )) (( segid " " and resid 21 and name HA )) 2.800 1.000 0.900 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.16116E-02 ppm1 5.352 ppm2 5.043 CV 1 ASSI { 2835} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB1 )) 2.600 0.900 0.900 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.25353E-02 ppm1 5.623 ppm2 1.628 CV 1 OR { 2835} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) ASSI { 2837} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.100 0.600 0.600 peak 2837 spectrum 1 weight 0.11000E+01 volume 0.12599E-01 ppm1 4.359 ppm2 8.414 CV 1 ASSI { 2838} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HN )) 2.600 0.900 0.900 peak 2838 spectrum 1 weight 0.11000E+01 volume 0.51015E-02 ppm1 4.686 ppm2 8.573 CV 1 ASSI { 2839} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HN )) 3.300 1.500 1.200 peak 2839 spectrum 1 weight 0.11000E+01 volume 0.56078E-02 ppm1 4.687 ppm2 8.662 CV 1 ASSI { 2845} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HN )) 2.400 0.600 0.500 peak 2845 spectrum 1 weight 0.11000E+01 volume 0.80292E-02 ppm1 4.342 ppm2 9.083 CV 1 ASSI { 2847} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 2.200 0.600 0.600 peak 2847 spectrum 1 weight 0.11000E+01 volume 0.20960E-02 ppm1 4.617 ppm2 9.093 CV 1 ASSI { 2848} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 2.000 0.500 0.500 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.95978E-02 ppm1 4.517 ppm2 8.387 CV 1 ASSI { 2853} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 2853 spectrum 1 weight 0.11000E+01 volume 0.37723E-02 ppm1 4.219 ppm2 6.830 CV 1 ASSI { 2861} (( segid " " and resid 123 and name HA )) ( segid " " and resid 123 and name HD1%) 2.800 1.000 1.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.84643E-02 ppm1 4.234 ppm2 0.690 CV 1 OR { 2861} (( segid " " and resid 123 and name HA )) ( segid " " and resid 123 and name HD2%) ASSI { 2862} (( segid " " and resid 137 and name HA )) ( segid " " and resid 138 and name HG2%) 4.400 2.500 1.600 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.88337E-03 ppm1 5.521 ppm2 1.097 CV 1 ASSI { 2863} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB1 )) 2.700 0.900 0.900 peak 2863 spectrum 1 weight 0.11000E+01 volume 0.63659E-02 ppm1 4.689 ppm2 2.832 CV 1 ASSI { 2866} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB1 )) 2.900 1.000 1.000 peak 2866 spectrum 1 weight 0.11000E+01 volume 0.20536E-02 ppm1 5.379 ppm2 3.765 CV 1 ASSI { 2868} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.300 0.600 0.600 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.10678E-01 ppm1 4.215 ppm2 1.701 CV 1 OR { 2868} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) ASSI { 2869} (( segid " " and resid 137 and name HA )) ( segid " " and resid 109 and name HG1%) 3.100 1.200 1.200 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.15278E-02 ppm1 5.517 ppm2 0.572 CV 1 ASSI { 2873} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 3.300 1.300 1.300 peak 2873 spectrum 1 weight 0.11000E+01 volume 0.11189E-02 ppm1 5.521 ppm2 2.953 CV 1 ASSI { 2874} (( segid " " and resid 135 and name HA )) (( segid " " and resid 107 and name HN )) 2.400 0.700 0.700 peak 2874 spectrum 1 weight 0.11000E+01 volume 0.19605E-02 ppm1 5.379 ppm2 7.676 CV 1 ASSI { 2875} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HN )) 2.200 0.400 0.600 peak 2875 spectrum 1 weight 0.11000E+01 volume 0.35472E-02 ppm1 5.386 ppm2 8.830 CV 1 ASSI { 2876} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HN )) 2.200 0.600 0.600 peak 2876 spectrum 1 weight 0.11000E+01 volume 0.40334E-02 ppm1 5.255 ppm2 9.093 CV 1 ASSI { 2877} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HN )) 2.100 0.600 0.600 peak 2877 spectrum 1 weight 0.11000E+01 volume 0.44560E-02 ppm1 5.530 ppm2 9.098 CV 1 ASSI { 2878} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HN )) 2.400 0.700 0.700 peak 2878 spectrum 1 weight 0.11000E+01 volume 0.20218E-02 ppm1 5.651 ppm2 8.863 CV 1 ASSI { 2881} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 2.800 1.000 1.000 peak 2881 spectrum 1 weight 0.11000E+01 volume 0.20069E-02 ppm1 3.638 ppm2 8.980 CV 1 ASSI { 2886} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG2 )) 3.500 1.500 1.500 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.19681E-02 ppm1 3.643 ppm2 1.892 CV 1 ASSI { 2887} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB2 )) 2.600 0.800 0.800 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.45119E-02 ppm1 3.639 ppm2 1.671 CV 1 OR { 2887} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB1 )) OR { 2887} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG1 )) ASSI { 2893} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 3.000 1.200 2.000 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.71882E-02 ppm1 4.482 ppm2 8.210 CV 1 ASSI { 2894} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 2.400 0.700 0.700 peak 2894 spectrum 1 weight 0.11000E+01 volume 0.31647E-02 ppm1 3.785 ppm2 8.689 CV 1 ASSI { 2896} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.200 0.600 0.600 peak 2896 spectrum 1 weight 0.11000E+01 volume 0.73841E-02 ppm1 3.945 ppm2 7.825 CV 1 ASSI { 2897} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 2.300 0.600 0.600 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.40095E-02 ppm1 4.571 ppm2 8.723 CV 1 ASSI { 2898} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name HN )) 2.200 0.600 0.600 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.37688E-02 ppm1 5.482 ppm2 8.347 CV 1 ASSI { 2899} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HN )) 2.200 0.400 0.500 peak 2899 spectrum 1 weight 0.11000E+01 volume 0.42064E-02 ppm1 4.438 ppm2 6.966 CV 1 ASSI { 2901} (( segid " " and resid 48 and name HA )) ( segid " " and resid 58 and name HB% ) 3.800 1.800 1.800 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.99862E-03 ppm1 3.784 ppm2 0.272 CV 1 ASSI { 2902} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB1 )) 3.200 1.300 1.300 peak 2902 spectrum 1 weight 0.11000E+01 volume 0.12237E-02 ppm1 3.945 ppm2 2.972 CV 1 ASSI { 2903} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB2 )) 3.100 1.200 1.200 peak 2903 spectrum 1 weight 0.11000E+01 volume 0.12845E-02 ppm1 3.947 ppm2 2.516 CV 1 ASSI { 2905} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HB1 )) 5.000 3.200 1.000 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.12369E-02 ppm1 3.947 ppm2 1.493 CV 1 OR { 2905} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HG )) ASSI { 2906} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HB2 )) 4.500 2.500 1.500 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 3.937 ppm2 1.180 CV 1 ASSI { 2908} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB1 )) 2.500 0.800 0.800 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.19226E-02 ppm1 3.782 ppm2 1.941 CV 1 ASSI { 2909} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 3.787 ppm2 1.797 CV 1 ASSI { 2913} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB1 )) 2.700 0.900 0.900 peak 2913 spectrum 1 weight 0.11000E+01 volume 0.20451E-02 ppm1 4.446 ppm2 3.135 CV 1 ASSI { 2915} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 3.200 1.200 1.200 peak 2915 spectrum 1 weight 0.11000E+01 volume 0.15658E-02 ppm1 4.443 ppm2 2.766 CV 1 ASSI { 2918} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG1 )) 2.800 1.000 1.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.41430E-02 ppm1 4.215 ppm2 1.581 CV 1 OR { 2918} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG2 )) ASSI { 2921} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 2.100 0.500 0.500 peak 2921 spectrum 1 weight 0.11000E+01 volume 0.16477E-02 ppm1 3.289 ppm2 6.928 CV 1 ASSI { 2923} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.14116E-02 ppm1 4.500 ppm2 7.746 CV 1 ASSI { 2933} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HG1 )) 2.400 0.800 0.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.85123E-02 ppm1 4.272 ppm2 1.486 CV 1 OR { 2933} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HG2 )) ASSI { 2934} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB1 )) 2.200 0.600 0.600 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.12524E-01 ppm1 4.267 ppm2 1.896 CV 1 OR { 2934} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB2 )) ASSI { 2941} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HN )) 2.900 1.000 1.000 peak 2941 spectrum 1 weight 0.11000E+01 volume 0.95355E-03 ppm1 4.023 ppm2 8.795 CV 1 ASSI { 2942} (( segid " " and resid 122 and name HA )) (( segid " " and resid 123 and name HN )) 2.200 0.600 0.600 peak 2942 spectrum 1 weight 0.11000E+01 volume 0.21115E-02 ppm1 4.026 ppm2 8.551 CV 1 ASSI { 2943} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HN )) 3.600 1.600 1.600 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.63058E-03 ppm1 3.620 ppm2 8.148 CV 1 ASSI { 2945} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.200 0.600 0.600 peak 2945 spectrum 1 weight 0.11000E+01 volume 0.48832E-02 ppm1 3.574 ppm2 6.828 CV 1 ASSI { 2948} (( segid " " and resid 124 and name HA )) ( segid " " and resid 134 and name HE% ) 4.200 2.200 1.800 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.69436E-03 ppm1 4.203 ppm2 7.114 CV 1 ASSI { 2952} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 2.400 0.700 0.700 peak 2952 spectrum 1 weight 0.11000E+01 volume 0.69824E-02 ppm1 4.207 ppm2 3.676 CV 1 OR { 2952} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) ASSI { 2955} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.27935E-02 ppm1 3.574 ppm2 2.502 CV 1 ASSI { 2963} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG2 )) 2.500 0.800 0.800 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.40795E-02 ppm1 3.571 ppm2 2.320 CV 1 ASSI { 2965} (( segid " " and resid 29 and name HA )) (( segid " " and resid 50 and name HB2 )) 3.000 1.200 1.200 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.41555E-02 ppm1 4.427 ppm2 1.669 CV 1 OR { 2965} (( segid " " and resid 29 and name HA )) (( segid " " and resid 50 and name HD2 )) OR { 2965} (( segid " " and resid 29 and name HA )) (( segid " " and resid 50 and name HD1 )) ASSI { 2966} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HD1 )) 3.300 1.400 1.400 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.35612E-02 ppm1 4.273 ppm2 1.725 CV 1 OR { 2966} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HD2 )) ASSI { 2967} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) 2.700 0.900 0.900 peak 2967 spectrum 1 weight 0.11000E+01 volume 0.13649E-02 ppm1 4.027 ppm2 2.681 CV 1 ASSI { 2968} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HN )) 3.100 1.200 1.200 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 3.730 ppm2 9.226 CV 1 ASSI { 2971} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.92490E-03 ppm1 3.733 ppm2 8.274 CV 1 ASSI { 2973} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 2.400 0.600 0.600 peak 2973 spectrum 1 weight 0.11000E+01 volume 0.63795E-02 ppm1 4.560 ppm2 7.984 CV 1 ASSI { 2974} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 3.000 1.100 1.100 peak 2974 spectrum 1 weight 0.11000E+01 volume 0.16888E-02 ppm1 4.380 ppm2 8.159 CV 1 ASSI { 2975} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) 2.300 0.500 0.600 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.51053E-02 ppm1 4.509 ppm2 8.898 CV 1 ASSI { 2977} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HN )) 2.400 0.700 0.700 peak 2977 spectrum 1 weight 0.11000E+01 volume 0.30045E-02 ppm1 4.234 ppm2 8.732 CV 1 ASSI { 2981} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.600 0.800 0.800 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.46181E-02 ppm1 4.541 ppm2 4.103 CV 1 ASSI { 2985} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.000 1.100 1.100 peak 2985 spectrum 1 weight 0.11000E+01 volume 0.11800E-02 ppm1 4.384 ppm2 3.101 CV 1 ASSI { 2986} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 3.100 1.200 1.200 peak 2986 spectrum 1 weight 0.11000E+01 volume 0.16379E-02 ppm1 4.384 ppm2 2.776 CV 1 ASSI { 2990} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HB )) 4.400 2.400 1.600 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 4.253 ppm2 1.985 CV 1 ASSI { 3001} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB1 )) 2.700 0.900 0.900 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.14912E-02 ppm1 4.227 ppm2 1.581 CV 1 OR { 3001} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HG1 )) ASSI { 3011} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.22288E-02 ppm1 3.658 ppm2 5.380 CV 1 ASSI { 3013} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 3.000 1.100 1.100 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 3.795 ppm2 4.573 CV 1 OR { 3013} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 3014} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HN )) 2.900 1.000 1.000 peak 3014 spectrum 1 weight 0.11000E+01 volume 0.15923E-02 ppm1 3.768 ppm2 9.095 CV 1 ASSI { 3015} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HN )) 3.300 1.300 1.300 peak 3015 spectrum 1 weight 0.11000E+01 volume 0.13338E-02 ppm1 3.658 ppm2 9.094 CV 1 ASSI { 3018} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HN )) 4.500 2.600 1.500 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.64077E-03 ppm1 3.782 ppm2 8.728 CV 1 OR { 3018} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) ASSI { 3019} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.94594E-03 ppm1 3.799 ppm2 7.121 CV 1 OR { 3019} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 88 and name HD% ) ASSI { 3021} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.73925E-03 ppm1 3.983 ppm2 9.100 CV 1 ASSI { 3023} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 123 and name HD1%) 2.500 0.800 0.800 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.60437E-02 ppm1 3.769 ppm2 0.688 CV 1 OR { 3023} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 123 and name HD2%) ASSI { 3024} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 123 and name HD1%) 2.500 0.800 0.800 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.46744E-02 ppm1 3.659 ppm2 0.689 CV 1 OR { 3024} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 123 and name HD2%) ASSI { 3025} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 109 and name HG1%) 4.000 2.000 2.000 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.80718E-03 ppm1 3.655 ppm2 0.575 CV 1 ASSI { 3034} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) 3.300 1.400 1.400 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.89002E-03 ppm1 3.592 ppm2 7.044 CV 1 ASSI { 3035} (( segid " " and resid 130 and name HA )) (( segid " " and resid 129 and name HN )) 5.000 3.100 1.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.70421E-03 ppm1 3.602 ppm2 6.666 CV 1 OR { 3035} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) ASSI { 3036} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) 3.000 1.100 1.100 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 3.604 ppm2 2.669 CV 1 OR { 3036} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) ASSI { 3037} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.900 1.000 1.000 peak 3037 spectrum 1 weight 0.11000E+01 volume 0.14882E-02 ppm1 3.661 ppm2 2.663 CV 1 ASSI { 3043} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.600 0.800 0.800 peak 3043 spectrum 1 weight 0.11000E+01 volume 0.24881E-02 ppm1 3.663 ppm2 9.630 CV 1 ASSI { 3044} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HN )) 2.400 0.600 0.600 peak 3044 spectrum 1 weight 0.11000E+01 volume 0.45078E-02 ppm1 4.356 ppm2 9.154 CV 1 ASSI { 3046} (( segid " " and resid 34 and name HA )) (( segid " " and resid 41 and name HN )) 3.500 1.500 1.500 peak 3046 spectrum 1 weight 0.11000E+01 volume 0.88721E-03 ppm1 5.492 ppm2 9.093 CV 1 ASSI { 3047} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) 2.600 0.900 0.900 peak 3047 spectrum 1 weight 0.11000E+01 volume 0.16333E-02 ppm1 5.485 ppm2 8.323 CV 1 ASSI { 3049} (( segid " " and resid 12 and name HA )) (( segid " " and resid 19 and name HA )) 3.000 1.200 0.900 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.19098E-02 ppm1 5.494 ppm2 4.258 CV 1 ASSI { 3054} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) 4.500 2.500 1.500 peak 3054 spectrum 1 weight 0.11000E+01 volume 0.10382E-02 ppm1 3.662 ppm2 4.561 CV 1 ASSI { 3055} (( segid " " and resid 12 and name HA )) ( segid " " and resid 12 and name HG2%) 2.800 0.900 0.900 peak 3055 spectrum 1 weight 0.11000E+01 volume 0.31195E-02 ppm1 5.497 ppm2 0.858 CV 1 ASSI { 3058} (( segid " " and resid 34 and name HA )) (( segid " " and resid 33 and name HB )) 4.300 2.300 1.700 peak 3058 spectrum 1 weight 0.11000E+01 volume 0.67660E-03 ppm1 5.485 ppm2 2.207 CV 1 ASSI { 3059} (( segid " " and resid 109 and name HA )) ( segid " " and resid 109 and name HG2%) 2.700 0.900 0.900 peak 3059 spectrum 1 weight 0.11000E+01 volume 0.62871E-02 ppm1 4.347 ppm2 0.879 CV 1 ASSI { 3067} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HN )) 2.800 1.000 1.000 peak 3067 spectrum 1 weight 0.11000E+01 volume 0.23597E-02 ppm1 5.154 ppm2 8.455 CV 1 ASSI { 3068} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HD1 )) 3.000 0.700 0.700 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 5.168 ppm2 4.383 CV 1 ASSI { 3069} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HA )) 3.200 1.300 1.300 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.65355E-03 ppm1 3.261 ppm2 5.154 CV 1 ASSI { 3072} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.800 1.900 1.900 peak 3072 spectrum 1 weight 0.11000E+01 volume 0.64841E-03 ppm1 2.282 ppm2 5.164 CV 1 ASSI { 3073} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.500 0.800 0.800 peak 3073 spectrum 1 weight 0.11000E+01 volume 0.16041E-02 ppm1 4.505 ppm2 1.959 CV 1 OR { 3073} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) ASSI { 3074} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 126 and name HA )) 4.900 3.000 1.100 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 2.093 ppm2 4.731 CV 1 OR { 3074} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 3076} (( segid " " and resid 122 and name HA )) ( segid " " and resid 123 and name HD1%) 4.000 2.000 2.000 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.85967E-03 ppm1 4.028 ppm2 0.692 CV 1 OR { 3076} (( segid " " and resid 122 and name HA )) ( segid " " and resid 123 and name HD2%) ASSI { 3078} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HN )) 2.800 1.000 1.000 peak 3078 spectrum 1 weight 0.11000E+01 volume 0.21734E-02 ppm1 3.623 ppm2 8.855 CV 1 ASSI { 3079} (( segid " " and resid 127 and name HA )) ( segid " " and resid 125 and name HD% ) 3.900 1.900 1.900 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.11901E-02 ppm1 3.624 ppm2 7.411 CV 1 ASSI { 3080} (( segid " " and resid 127 and name HA )) ( segid " " and resid 125 and name HE% ) 2.700 0.900 0.900 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.29217E-02 ppm1 3.622 ppm2 7.264 CV 1 ASSI { 3081} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HN )) 2.200 0.600 0.600 peak 3081 spectrum 1 weight 0.11000E+01 volume 0.64944E-02 ppm1 4.205 ppm2 8.531 CV 1 ASSI { 3082} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 3082 spectrum 1 weight 0.11000E+01 volume 0.24132E-02 ppm1 4.477 ppm2 9.108 CV 1 ASSI { 3084} (( segid " " and resid 122 and name HA )) (( segid " " and resid 135 and name HN )) 3.500 1.500 1.500 peak 3084 spectrum 1 weight 0.11000E+01 volume 0.89212E-03 ppm1 4.024 ppm2 9.084 CV 1 ASSI { 3085} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HN )) 2.500 0.800 0.800 peak 3085 spectrum 1 weight 0.11000E+01 volume 0.16624E-02 ppm1 5.897 ppm2 9.358 CV 1 ASSI { 3086} (( segid " " and resid 122 and name HA )) (( segid " " and resid 134 and name HA )) 2.900 1.100 1.100 peak 3086 spectrum 1 weight 0.11000E+01 volume 0.85313E-03 ppm1 4.024 ppm2 5.247 CV 1 ASSI { 3087} (( segid " " and resid 127 and name HA )) (( segid " " and resid 126 and name HA )) 4.700 2.700 1.300 peak 3087 spectrum 1 weight 0.11000E+01 volume 0.66260E-03 ppm1 3.624 ppm2 4.727 CV 1 ASSI { 3088} (( segid " " and resid 82 and name HA )) (( segid " " and resid 81 and name HA )) 4.500 2.500 1.500 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.12516E-02 ppm1 3.574 ppm2 4.230 CV 1 ASSI { 3091} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 2.200 0.600 0.600 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.73396E-02 ppm1 3.623 ppm2 2.094 CV 1 OR { 3091} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) ASSI { 3095} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 3.500 1.500 1.300 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 4.430 ppm2 7.364 CV 1 ASSI { 3096} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB1 )) 2.400 0.700 0.700 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.61433E-02 ppm1 4.629 ppm2 4.351 CV 1 OR { 3096} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB2 )) ASSI { 3097} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HN )) 2.800 1.000 0.500 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.82627E-02 ppm1 4.630 ppm2 8.244 CV 1 ASSI { 3099} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.900 1.100 1.100 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 4.290 ppm2 8.160 CV 1 ASSI { 3106} (( segid " " and resid 129 and name HA )) ( segid " " and resid 100 and name HE% ) 3.300 1.400 1.400 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.18089E-02 ppm1 4.449 ppm2 2.108 CV 1 ASSI { 3114} (( segid " " and resid 121 and name HA )) (( segid " " and resid 122 and name HN )) 2.100 0.500 0.500 peak 3114 spectrum 1 weight 0.11000E+01 volume 0.53031E-02 ppm1 4.301 ppm2 8.793 CV 1 ASSI { 3117} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 4.508 ppm2 6.744 CV 1 ASSI { 3120} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 2.700 0.900 0.900 peak 3120 spectrum 1 weight 0.11000E+01 volume 0.21902E-02 ppm1 4.357 ppm2 8.362 CV 1 ASSI { 3121} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 2.400 0.600 0.600 peak 3121 spectrum 1 weight 0.11000E+01 volume 0.62460E-02 ppm1 4.428 ppm2 8.306 CV 1 ASSI { 3122} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HN )) 3.100 1.200 1.200 peak 3122 spectrum 1 weight 0.11000E+01 volume 0.10765E-02 ppm1 4.453 ppm2 6.660 CV 1 ASSI { 3130} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.800 1.800 1.500 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 4.508 ppm2 8.724 CV 1 ASSI { 3131} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG2%) 2.300 0.600 0.600 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.10083E-01 ppm1 4.303 ppm2 0.896 CV 1 OR { 3131} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HG1%) ASSI { 3132} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG2%) 2.300 0.700 0.700 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.11049E-01 ppm1 4.429 ppm2 0.861 CV 1 OR { 3132} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HG1%) ASSI { 3133} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB )) 2.700 0.900 0.900 peak 3133 spectrum 1 weight 0.11000E+01 volume 0.20329E-02 ppm1 4.353 ppm2 1.172 CV 1 ASSI { 3134} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB )) 2.400 0.700 0.700 peak 3134 spectrum 1 weight 0.11000E+01 volume 0.36297E-02 ppm1 4.559 ppm2 2.241 CV 1 ASSI { 3135} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HN )) 2.400 0.700 0.700 peak 3135 spectrum 1 weight 0.11000E+01 volume 0.14482E-02 ppm1 4.597 ppm2 9.754 CV 1 ASSI { 3142} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB )) 3.000 1.100 1.100 peak 3142 spectrum 1 weight 0.11000E+01 volume 0.10186E-02 ppm1 5.502 ppm2 3.979 CV 1 ASSI { 3143} (( segid " " and resid 139 and name HA )) (( segid " " and resid 111 and name HN )) 2.800 1.000 1.000 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 4.544 ppm2 6.968 CV 1 ASSI { 3144} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 2.200 0.600 0.600 peak 3144 spectrum 1 weight 0.11000E+01 volume 0.38600E-02 ppm1 5.505 ppm2 9.346 CV 1 ASSI { 3151} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.400 1.500 1.500 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.19429E-02 ppm1 3.954 ppm2 9.105 CV 1 ASSI { 3152} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.100 1.200 1.200 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.17561E-02 ppm1 3.818 ppm2 9.102 CV 1 ASSI { 3154} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 113 and name HN )) 3.800 1.800 1.800 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 3.893 ppm2 8.294 CV 1 ASSI { 3157} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 3.400 1.400 1.400 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.82460E-03 ppm1 4.504 ppm2 8.051 CV 1 ASSI { 3165} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB1 )) 2.800 1.000 0.500 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.96051E-02 ppm1 4.554 ppm2 2.221 CV 1 ASSI { 3173} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HN )) 2.500 0.800 0.800 peak 3173 spectrum 1 weight 0.11000E+01 volume 0.55850E-02 ppm1 3.976 ppm2 7.084 CV 1 ASSI { 3175} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 119 and name HN )) 3.800 1.800 1.800 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.332 ppm2 8.241 CV 1 ASSI { 4629} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 119 and name HN )) 3.800 1.800 1.800 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.332 ppm2 8.241 CV 1 ASSI { 4163} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HN )) 3.300 1.500 1.800 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.332 ppm2 8.241 CV 1 ASSI { 4630} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HN )) 3.300 1.500 1.800 peak 4630 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.332 ppm2 8.241 CV 1 ASSI { 4627} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 136 and name HD1 )) 4.500 2.500 1.500 peak 4627 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.332 ppm2 8.241 CV 1 ASSI { 4628} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 136 and name HE1 )) 4.000 2.200 2.000 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.332 ppm2 9.784 CV 1 ASSI { 4628} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 136 and name HE1 )) 4.000 2.200 2.000 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.25067E-02 ppm1 4.385 ppm2 9.784 CV 1 ASSI { 3177} (( segid " " and resid 93 and name HA )) (( segid " " and resid 94 and name HN )) 2.800 1.100 1.100 peak 3177 spectrum 1 weight 0.11000E+01 volume 0.16657E-02 ppm1 4.618 ppm2 8.459 CV 1 ASSI { 3183} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HN )) 3.600 1.600 1.600 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.84305E-03 ppm1 3.677 ppm2 6.529 CV 1 OR { 3183} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HN )) ASSI { 3185} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HA )) 3.000 1.100 1.100 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.81022E-03 ppm1 3.706 ppm2 5.159 CV 1 ASSI { 3186} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 3.300 1.400 1.400 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.11623E-02 ppm1 3.599 ppm2 5.154 CV 1 ASSI { 3192} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB2 )) 2.800 1.000 0.900 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.99531E-02 ppm1 4.555 ppm2 2.111 CV 1 ASSI { 3193} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HG2%) 2.600 0.800 0.800 peak 3193 spectrum 1 weight 0.11000E+01 volume 0.60365E-02 ppm1 3.976 ppm2 1.254 CV 1 ASSI { 3195} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 109 and name HG1%) 3.700 1.700 1.700 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.95716E-03 ppm1 3.706 ppm2 0.584 CV 1 ASSI { 3196} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 109 and name HG1%) 3.700 1.700 1.700 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.10203E-02 ppm1 3.599 ppm2 0.576 CV 1 ASSI { 3198} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 114 and name HB% ) 3.800 1.800 1.600 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 4.359 ppm2 1.564 CV 1 OR { 3198} (( segid " " and resid 118 and name HB1 )) ( segid " " and resid 114 and name HB% ) ASSI { 3201} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG2 )) 3.600 1.600 1.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.34048E-02 ppm1 4.357 ppm2 1.984 CV 1 OR { 3201} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HG1 )) ASSI { 3205} (( segid " " and resid 95 and name HA )) ( segid " " and resid 98 and name HD1%) 3.000 1.200 1.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.37391E-02 ppm1 4.258 ppm2 0.873 CV 1 ASSI { 3210} (( segid " " and resid 12 and name HB )) ( segid " " and resid 11 and name HG2%) 4.400 2.400 1.600 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 3.703 ppm2 1.272 CV 1 OR { 3210} (( segid " " and resid 12 and name HB )) ( segid " " and resid 19 and name HD2%) ASSI { 3213} (( segid " " and resid 32 and name HB )) ( segid " " and resid 32 and name HG2%) 2.400 0.700 0.700 peak 3213 spectrum 1 weight 0.11000E+01 volume 0.67862E-02 ppm1 3.971 ppm2 1.165 CV 1 ASSI { 3223} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HA )) 3.000 1.200 1.200 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 4.034 ppm2 4.507 CV 1 ASSI { 3225} (( segid " " and resid 12 and name HB )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.26345E-02 ppm1 3.706 ppm2 5.496 CV 1 ASSI { 3226} (( segid " " and resid 12 and name HB )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.37658E-02 ppm1 3.706 ppm2 7.985 CV 1 ASSI { 3229} (( segid " " and resid 32 and name HB )) (( segid " " and resid 32 and name HN )) 3.000 1.100 1.100 peak 3229 spectrum 1 weight 0.11000E+01 volume 0.25425E-02 ppm1 3.970 ppm2 8.726 CV 1 ASSI { 3231} (( segid " " and resid 67 and name HB )) (( segid " " and resid 67 and name HN )) 2.700 0.900 0.900 peak 3231 spectrum 1 weight 0.11000E+01 volume 0.24866E-02 ppm1 3.994 ppm2 8.383 CV 1 ASSI { 3234} (( segid " " and resid 12 and name HB )) (( segid " " and resid 11 and name HA )) 4.600 2.600 1.400 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.94381E-03 ppm1 3.703 ppm2 4.564 CV 1 ASSI { 3235} (( segid " " and resid 67 and name HB )) (( segid " " and resid 67 and name HA )) 2.700 0.900 0.900 peak 3235 spectrum 1 weight 0.11000E+01 volume 0.24800E-02 ppm1 3.994 ppm2 4.814 CV 1 ASSI { 3236} (( segid " " and resid 16 and name HB )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.85960E-03 ppm1 4.342 ppm2 7.873 CV 1 ASSI { 3237} (( segid " " and resid 67 and name HB )) (( segid " " and resid 68 and name HN )) 3.400 1.400 1.400 peak 3237 spectrum 1 weight 0.11000E+01 volume 0.15381E-02 ppm1 3.997 ppm2 8.997 CV 1 ASSI { 3244} (( segid " " and resid 22 and name HG )) ( segid " " and resid 22 and name HD1%) 2.400 0.700 0.700 peak 3244 spectrum 1 weight 0.11000E+01 volume 0.30533E-02 ppm1 0.924 ppm2 -0.014 CV 1 ASSI { 3254} (( segid " " and resid 98 and name HG )) (( segid " " and resid 98 and name HA )) 3.200 1.300 1.300 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.20363E-02 ppm1 1.773 ppm2 4.366 CV 1 ASSI { 3258} (( segid " " and resid 98 and name HG )) (( segid " " and resid 95 and name HA )) 4.300 2.300 1.700 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.90589E-03 ppm1 1.771 ppm2 4.481 CV 1 ASSI { 4648} (( segid " " and resid 98 and name HG )) (( segid " " and resid 99 and name HN )) 4.000 2.200 2.000 peak 4648 spectrum 1 weight 0.10000E+01 volume 0.90589E-03 ppm1 1.771 ppm2 4.481 CV 1 ASSI { 3263} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 3.200 1.300 1.300 peak 3263 spectrum 1 weight 0.11000E+01 volume 0.60201E-03 ppm1 5.880 ppm2 9.382 CV 1 ASSI { 3266} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD1%) 3.300 1.400 1.400 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.79284E-03 ppm1 1.839 ppm2 0.645 CV 1 OR { 3266} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 3271} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD2%) 3.200 1.300 1.300 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.89234E-03 ppm1 1.727 ppm2 0.636 CV 1 OR { 3271} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD1%) ASSI { 3277} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 99 and name HB2 )) 4.000 2.200 2.000 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.25255E-02 ppm1 0.957 ppm2 1.883 CV 1 OR { 3277} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 99 and name HB1 )) ASSI { 3283} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HG )) 2.800 1.000 1.000 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.23097E-02 ppm1 0.471 ppm2 1.061 CV 1 ASSI { 3289} (( segid " " and resid 68 and name HG )) (( segid " " and resid 68 and name HA )) 3.500 1.500 1.500 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 1.070 ppm2 4.495 CV 1 ASSI { 3291} (( segid " " and resid 84 and name HG )) (( segid " " and resid 84 and name HA )) 3.200 1.200 1.200 peak 3291 spectrum 1 weight 0.11000E+01 volume 0.85739E-03 ppm1 1.358 ppm2 5.248 CV 1 ASSI { 3295} (( segid " " and resid 22 and name HG )) ( segid " " and resid 77 and name HD1%) 3.600 1.700 1.700 peak 3295 spectrum 1 weight 0.11000E+01 volume 0.17974E-02 ppm1 0.940 ppm2 0.513 CV 1 ASSI { 3309} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 108 and name HD% ) 4.500 2.500 1.500 peak 3309 spectrum 1 weight 0.11000E+01 volume 0.54435E-03 ppm1 0.167 ppm2 6.808 CV 1 ASSI { 3315} ( segid " " and resid 22 and name HD1%) ( segid " " and resid 138 and name HG2%) 3.500 1.500 1.500 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.28669E-02 ppm1 -0.018 ppm2 1.106 CV 1 ASSI { 3323} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 13 and name HD22)) 3.400 1.500 1.500 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.22387E-02 ppm1 1.110 ppm2 9.455 CV 1 ASSI { 3325} ( segid " " and resid 59 and name HG1%) (( segid " " and resid 59 and name HA )) 2.600 0.800 0.800 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.24249E-02 ppm1 0.950 ppm2 4.596 CV 1 ASSI { 3331} (( segid " " and resid 96 and name HB )) (( segid " " and resid 96 and name HN )) 2.300 0.700 0.700 peak 3331 spectrum 1 weight 0.11000E+01 volume 0.57105E-02 ppm1 4.102 ppm2 7.082 CV 1 ASSI { 3332} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HB1 )) 2.900 1.100 1.100 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.12164E-02 ppm1 2.503 ppm2 1.893 CV 1 ASSI { 3333} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HG1 )) 2.900 1.000 1.000 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 2.494 ppm2 1.629 CV 1 ASSI { 3334} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HG2 )) 2.800 0.900 0.900 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 2.501 ppm2 1.453 CV 1 ASSI { 3335} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.11651E-02 ppm1 2.492 ppm2 1.361 CV 1 ASSI { 3338} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HA )) 4.400 2.400 1.600 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.93586E-03 ppm1 1.649 ppm2 4.569 CV 1 ASSI { 3339} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 3.500 1.600 1.600 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.76195E-03 ppm1 3.474 ppm2 4.801 CV 1 ASSI { 3346} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 4.000 2.000 2.000 peak 3346 spectrum 1 weight 0.11000E+01 volume 0.58729E-03 ppm1 3.442 ppm2 8.189 CV 1 ASSI { 3350} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB1 )) 3.400 1.400 1.400 peak 3350 spectrum 1 weight 0.11000E+01 volume 0.63271E-03 ppm1 5.900 ppm2 5.099 CV 1 ASSI { 3351} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 3.300 1.300 1.300 peak 3351 spectrum 1 weight 0.11000E+01 volume 0.49577E-03 ppm1 5.887 ppm2 3.976 CV 1 ASSI { 3353} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HN )) 3.300 1.400 1.400 peak 3353 spectrum 1 weight 0.11000E+01 volume 0.55465E-03 ppm1 5.896 ppm2 9.097 CV 1 ASSI { 3358} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HN )) 3.600 3.600 2.400 peak 3358 spectrum 1 weight 0.11000E+01 volume 0.34178E-03 ppm1 3.985 ppm2 9.187 CV 1 ASSI { 3359} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB1 )) 2.600 0.800 0.800 peak 3359 spectrum 1 weight 0.10000E+01 volume 0.40585E-03 ppm1 3.982 ppm2 5.089 CV 1 ASSI { 3370} (( segid " " and resid 120 and name HG2 )) (( segid " " and resid 136 and name HB2 )) 4.700 2.800 1.300 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.55378E-03 ppm1 1.455 ppm2 2.504 CV 1 ASSI { 3373} (( segid " " and resid 120 and name HD2 )) (( segid " " and resid 120 and name HG2 )) 3.400 3.400 2.600 peak 3373 spectrum 1 weight 0.11000E+01 volume 0.25775E-03 ppm1 3.153 ppm2 1.580 CV 1 ASSI { 3374} (( segid " " and resid 132 and name HA )) (( segid " " and resid 133 and name HN )) 2.600 0.800 0.800 peak 3374 spectrum 1 weight 0.11000E+01 volume 0.19524E-02 ppm1 5.224 ppm2 8.815 CV 1 ASSI { 3382} (( segid " " and resid 60 and name HA )) (( segid " " and resid 70 and name HN )) 3.900 1.900 1.900 peak 3382 spectrum 1 weight 0.11000E+01 volume 0.46629E-03 ppm1 5.644 ppm2 8.631 CV 1 ASSI { 3385} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HA )) 3.300 1.400 1.400 peak 3385 spectrum 1 weight 0.11000E+01 volume 0.50292E-03 ppm1 3.049 ppm2 5.641 CV 1 ASSI { 3388} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.600 2.700 1.400 peak 3388 spectrum 1 weight 0.11000E+01 volume 0.51278E-03 ppm1 3.014 ppm2 9.754 CV 1 ASSI { 3398} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HB1 )) 2.900 1.000 1.000 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 1.382 ppm2 1.972 CV 1 OR { 3398} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 3399} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.13089E-02 ppm1 1.658 ppm2 1.967 CV 1 OR { 3399} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB1 )) ASSI { 3401} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 58 and name HB% ) 4.600 2.600 1.400 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.76477E-03 ppm1 1.486 ppm2 0.268 CV 1 ASSI { 3403} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 58 and name HB% ) 2.800 1.000 1.000 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.65507E-03 ppm1 1.168 ppm2 0.269 CV 1 ASSI { 3407} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 20 and name HN )) 5.100 3.200 0.900 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.42704E-03 ppm1 1.200 ppm2 9.301 CV 1 ASSI { 3424} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB1 )) 2.600 0.900 0.900 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.26884E-02 ppm1 4.412 ppm2 1.828 CV 1 OR { 3424} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB2 )) ASSI { 3426} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HN )) 4.800 2.900 1.200 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.62110E-03 ppm1 -0.008 ppm2 7.909 CV 1 ASSI { 3433} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 86 and name HN )) 4.500 2.600 1.500 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.40369E-03 ppm1 0.521 ppm2 8.497 CV 1 OR { 3433} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 86 and name HN )) ASSI { 3435} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 60 and name HA )) 5.000 3.200 1.000 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.49844E-03 ppm1 0.697 ppm2 5.620 CV 1 ASSI { 3438} (( segid " " and resid 12 and name HA )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 3438 spectrum 1 weight 0.11000E+01 volume 0.11407E-02 ppm1 5.505 ppm2 9.306 CV 1 ASSI { 3439} (( segid " " and resid 12 and name HA )) ( segid " " and resid 20 and name HD% ) 3.800 1.800 1.800 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.55496E-03 ppm1 5.498 ppm2 7.458 CV 1 ASSI { 3442} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 3442 spectrum 1 weight 0.11000E+01 volume 0.16353E-02 ppm1 4.565 ppm2 8.851 CV 1 ASSI { 3447} (( segid " " and resid 13 and name HA )) ( segid " " and resid 15 and name HB% ) 4.700 2.700 1.300 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 4.392 ppm2 1.550 CV 1 ASSI { 3450} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HG2 )) 4.800 2.800 1.200 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 4.392 ppm2 2.178 CV 1 OR { 3450} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HG1 )) ASSI { 3452} (( segid " " and resid 19 and name HA )) (( segid " " and resid 12 and name HA )) 2.900 1.100 1.100 peak 3452 spectrum 1 weight 0.11000E+01 volume 0.13411E-02 ppm1 4.248 ppm2 5.497 CV 1 ASSI { 3454} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.900 1.000 1.000 peak 3454 spectrum 1 weight 0.11000E+01 volume 0.12941E-02 ppm1 4.359 ppm2 8.199 CV 1 ASSI { 3456} (( segid " " and resid 43 and name HA )) (( segid " " and resid 60 and name HN )) 4.000 2.200 1.500 peak 3456 spectrum 1 weight 0.11000E+01 volume 0.51791E-03 ppm1 5.851 ppm2 9.756 CV 1 ASSI { 3457} (( segid " " and resid 43 and name HA )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 3457 spectrum 1 weight 0.11000E+01 volume 0.89352E-03 ppm1 5.860 ppm2 4.587 CV 1 ASSI { 3459} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HA )) 4.500 2.600 1.500 peak 3459 spectrum 1 weight 0.11000E+01 volume 0.36641E-03 ppm1 5.859 ppm2 5.205 CV 1 ASSI { 3460} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.900 1.000 1.000 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.69292E-03 ppm1 5.862 ppm2 1.739 CV 1 ASSI { 3464} (( segid " " and resid 48 and name HA )) ( segid " " and resid 73 and name HD1%) 4.700 2.700 1.300 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.43537E-03 ppm1 3.779 ppm2 0.641 CV 1 ASSI { 3466} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.600 0.800 0.800 peak 3466 spectrum 1 weight 0.11000E+01 volume 0.51255E-02 ppm1 4.297 ppm2 8.334 CV 1 ASSI { 3467} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 2.800 1.000 1.000 peak 3467 spectrum 1 weight 0.11000E+01 volume 0.75925E-02 ppm1 4.300 ppm2 8.399 CV 1 ASSI { 3468} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 3.400 1.400 1.400 peak 3468 spectrum 1 weight 0.11000E+01 volume 0.51418E-03 ppm1 4.281 ppm2 9.643 CV 1 ASSI { 3474} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HA )) 3.400 3.400 2.600 peak 3474 spectrum 1 weight 0.11000E+01 volume 0.68729E-03 ppm1 4.034 ppm2 4.915 CV 1 ASSI { 3479} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 2.300 0.600 0.600 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.12387E-02 ppm1 3.082 ppm2 2.587 CV 1 ASSI { 3490} (( segid " " and resid 73 and name HA )) ( segid " " and resid 88 and name HD% ) 4.000 2.000 2.000 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.46519E-03 ppm1 3.280 ppm2 7.128 CV 1 ASSI { 3491} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 24 and name HB1 )) 3.700 1.800 1.800 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.54423E-03 ppm1 0.635 ppm2 4.004 CV 1 OR { 3491} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 24 and name HB2 )) ASSI { 3493} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 47 and name HN )) 2.900 2.900 3.100 peak 3493 spectrum 1 weight 0.11000E+01 volume 0.47812E-02 ppm1 0.636 ppm2 7.273 CV 1 ASSI { 3498} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.200 1.200 1.200 peak 3498 spectrum 1 weight 0.11000E+01 volume 0.77846E-03 ppm1 2.580 ppm2 4.921 CV 1 ASSI { 3500} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.300 1.300 1.300 peak 3500 spectrum 1 weight 0.11000E+01 volume 0.61304E-03 ppm1 3.056 ppm2 4.916 CV 1 ASSI { 3503} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB1 )) 2.000 0.500 0.500 peak 3503 spectrum 1 weight 0.11000E+01 volume 0.27757E-02 ppm1 2.592 ppm2 3.059 CV 1 ASSI { 3510} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 84 and name HD1%) 4.600 2.700 1.400 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.57196E-03 ppm1 2.591 ppm2 0.175 CV 1 ASSI { 3514} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name HN )) 4.100 2.100 1.900 peak 3514 spectrum 1 weight 0.11000E+01 volume 0.62479E-03 ppm1 4.235 ppm2 6.525 CV 1 ASSI { 3516} (( segid " " and resid 81 and name HA )) (( segid " " and resid 83 and name HN )) 4.100 2.100 1.900 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.87930E-03 ppm1 4.217 ppm2 7.522 CV 1 ASSI { 3517} (( segid " " and resid 81 and name HB1 )) ( segid " " and resid 83 and name HG1%) 3.900 1.900 1.900 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.11958E-02 ppm1 2.821 ppm2 0.856 CV 1 OR { 3517} (( segid " " and resid 81 and name HB1 )) ( segid " " and resid 83 and name HG2%) ASSI { 3519} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 83 and name HN )) 3.900 1.900 1.900 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.47508E-03 ppm1 2.477 ppm2 7.526 CV 1 ASSI { 3520} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 83 and name HN )) 4.500 2.500 1.500 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.39825E-03 ppm1 2.831 ppm2 7.506 CV 1 ASSI { 3521} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 82 and name HN )) 4.000 2.000 2.000 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 2.481 ppm2 6.824 CV 1 ASSI { 3522} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 82 and name HN )) 4.200 2.200 1.800 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.96983E-03 ppm1 2.831 ppm2 6.830 CV 1 ASSI { 3523} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 80 and name HA )) 4.500 2.500 1.500 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.82057E-03 ppm1 2.478 ppm2 4.337 CV 1 ASSI { 3526} (( segid " " and resid 82 and name HA )) (( segid " " and resid 81 and name HN )) 5.500 3.700 0.500 peak 3526 spectrum 1 weight 0.11000E+01 volume 0.50441E-03 ppm1 3.575 ppm2 9.079 CV 1 ASSI { 3532} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 3.100 1.200 1.200 peak 3532 spectrum 1 weight 0.11000E+01 volume 0.90832E-03 ppm1 5.224 ppm2 8.301 CV 1 ASSI { 3534} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HG2 )) 3.700 1.700 1.700 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.14626E-02 ppm1 5.245 ppm2 1.251 CV 1 OR { 3534} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HG1 )) ASSI { 3538} (( segid " " and resid 125 and name HA )) (( segid " " and resid 132 and name HA )) 3.100 1.200 1.200 peak 3538 spectrum 1 weight 0.11000E+01 volume 0.11139E-02 ppm1 5.634 ppm2 5.222 CV 1 ASSI { 3541} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD2%) 3.100 1.200 1.200 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.17192E-02 ppm1 4.663 ppm2 0.667 CV 1 ASSI { 3542} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HA )) 3.400 1.500 1.500 peak 3542 spectrum 1 weight 0.11000E+01 volume 0.61540E-03 ppm1 1.638 ppm2 4.667 CV 1 ASSI { 3544} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 3.200 1.300 1.300 peak 3544 spectrum 1 weight 0.11000E+01 volume 0.67565E-03 ppm1 1.308 ppm2 4.660 CV 1 ASSI { 3545} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 106 and name HB1 )) 4.000 2.000 2.000 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.58417E-03 ppm1 1.623 ppm2 3.086 CV 1 ASSI { 3547} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 106 and name HB1 )) 4.800 2.900 1.200 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.42244E-03 ppm1 1.304 ppm2 3.086 CV 1 ASSI { 3552} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 87 and name HN )) 4.200 2.200 1.800 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.44168E-03 ppm1 1.628 ppm2 8.771 CV 1 ASSI { 3553} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 87 and name HN )) 4.900 3.000 1.100 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.43168E-03 ppm1 1.291 ppm2 8.769 CV 1 ASSI { 3556} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 106 and name HN )) 4.200 2.200 1.800 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.39079E-03 ppm1 1.620 ppm2 9.434 CV 1 ASSI { 3559} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 20 and name HB2 )) 4.500 2.600 1.500 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.39794E-03 ppm1 0.519 ppm2 2.642 CV 1 OR { 3559} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 20 and name HB2 )) ASSI { 3565} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HB1 )) 2.700 0.900 0.900 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.32086E-02 ppm1 0.631 ppm2 1.623 CV 1 ASSI { 3568} (( segid " " and resid 87 and name HB )) (( segid " " and resid 88 and name HN )) 4.000 2.000 2.000 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.55465E-03 ppm1 1.829 ppm2 9.205 CV 1 ASSI { 3572} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 85 and name HD2 )) 3.700 1.700 1.700 peak 3572 spectrum 1 weight 0.10000E+01 volume 0.97169E-03 ppm1 0.490 ppm2 1.473 CV 1 OR { 3572} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 85 and name HD1 )) ASSI { 3578} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 85 and name HA )) 5.000 3.100 1.000 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.45922E-03 ppm1 0.490 ppm2 5.628 CV 1 ASSI { 3580} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HA )) 4.200 2.200 1.800 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.60867E-03 ppm1 0.764 ppm2 5.385 CV 1 ASSI { 3583} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HA )) 3.200 1.300 1.300 peak 3583 spectrum 1 weight 0.11000E+01 volume 0.35350E-03 ppm1 3.288 ppm2 5.373 CV 1 ASSI { 3585} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HN )) 4.300 2.300 1.700 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.43415E-03 ppm1 3.279 ppm2 9.231 CV 1 ASSI { 3588} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB2 )) 2.500 0.800 0.800 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.28707E-02 ppm1 5.177 ppm2 2.133 CV 1 OR { 3588} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB1 )) ASSI { 3590} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 87 and name HG2%) 5.500 3.500 0.500 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.70916E-03 ppm1 2.108 ppm2 0.778 CV 1 ASSI { 3598} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HB2 )) 1.500 0.300 0.700 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.23042E-01 ppm1 2.930 ppm2 2.747 CV 1 ASSI { 3599} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HN )) 3.700 1.700 1.700 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.66641E-03 ppm1 2.727 ppm2 9.228 CV 1 ASSI { 3604} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 72 and name HG2 )) 4.800 2.800 1.200 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.53670E-03 ppm1 2.724 ppm2 1.680 CV 1 ASSI { 3622} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 148 and name HN )) 4.000 2.000 2.000 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.58006E-03 ppm1 2.006 ppm2 8.370 CV 1 OR { 3622} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 148 and name HN )) ASSI { 3623} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 146 and name HN )) 6.000 5.100 0.000 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.30439E-03 ppm1 1.995 ppm2 8.205 CV 1 OR { 3623} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 146 and name HN )) ASSI { 3624} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 145 and name HN )) 5.100 3.300 0.900 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.17686E-03 ppm1 1.996 ppm2 8.580 CV 1 OR { 3624} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 145 and name HN )) ASSI { 3625} (( segid " " and resid 147 and name HD2 )) (( segid " " and resid 147 and name HB2 )) 3.900 1.900 1.900 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.16509E-02 ppm1 3.644 ppm2 1.768 CV 1 ASSI { 3626} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB )) 2.400 0.700 0.700 peak 3626 spectrum 1 weight 0.11000E+01 volume 0.10558E-01 ppm1 3.975 ppm2 4.097 CV 1 ASSI { 3631} (( segid " " and resid 96 and name HB )) (( segid " " and resid 97 and name HA )) 4.000 2.200 2.000 peak 3631 spectrum 1 weight 0.11000E+01 volume 0.84305E-03 ppm1 4.106 ppm2 4.481 CV 1 ASSI { 3636} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 4.900 2.900 1.100 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.94662E-03 ppm1 4.490 ppm2 8.631 CV 1 ASSI { 3643} ( segid " " and resid 100 and name HE% ) (( segid " " and resid 129 and name HN )) 4.700 2.800 1.300 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.32679E-03 ppm1 2.106 ppm2 6.664 CV 1 ASSI { 3645} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HA )) 3.900 1.900 1.900 peak 3645 spectrum 1 weight 0.11000E+01 volume 0.44545E-03 ppm1 2.164 ppm2 4.736 CV 1 ASSI { 3647} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 108 and name HN )) 3.700 1.700 1.700 peak 3647 spectrum 1 weight 0.11000E+01 volume 0.43495E-03 ppm1 3.715 ppm2 9.669 CV 1 ASSI { 3648} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 108 and name HN )) 4.300 2.300 1.700 peak 3648 spectrum 1 weight 0.11000E+01 volume 0.54952E-03 ppm1 3.598 ppm2 9.669 CV 1 ASSI { 3649} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 3649 spectrum 1 weight 0.10000E+01 volume 0.58482E-03 ppm1 3.608 ppm2 5.384 CV 1 ASSI { 3656} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 143 and name HN )) 5.000 3.200 1.000 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.45659E-03 ppm1 2.764 ppm2 8.977 CV 1 ASSI { 3659} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 111 and name HN )) 5.000 3.100 1.000 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.37244E-03 ppm1 3.174 ppm2 6.968 CV 1 ASSI { 3662} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HB2 )) 2.000 0.500 0.500 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.44130E-02 ppm1 3.158 ppm2 2.761 CV 1 ASSI { 3663} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HB1 )) 1.700 0.300 0.500 peak 3663 spectrum 1 weight 0.11000E+01 volume 0.93723E-02 ppm1 2.614 ppm2 2.924 CV 1 ASSI { 3668} ( segid " " and resid 114 and name HB% ) (( segid " " and resid 136 and name HE1 )) 4.100 2.100 1.900 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.50098E-03 ppm1 1.562 ppm2 9.799 CV 1 ASSI { 3672} (( segid " " and resid 120 and name HA )) (( segid " " and resid 136 and name HE1 )) 4.200 2.200 1.800 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.43427E-03 ppm1 4.232 ppm2 9.791 CV 1 ASSI { 3675} (( segid " " and resid 120 and name HA )) (( segid " " and resid 136 and name HA )) 3.000 1.100 1.100 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.92277E-03 ppm1 4.229 ppm2 4.887 CV 1 ASSI { 3678} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HA )) 3.600 1.600 1.600 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.52635E-03 ppm1 1.436 ppm2 4.229 CV 1 ASSI { 3686} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB )) 3.200 1.300 1.300 peak 3686 spectrum 1 weight 0.11000E+01 volume 0.14363E-02 ppm1 4.306 ppm2 1.987 CV 1 ASSI { 3688} (( segid " " and resid 121 and name HB )) ( segid " " and resid 123 and name HD1%) 3.700 1.700 1.700 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.10032E-02 ppm1 1.986 ppm2 0.692 CV 1 OR { 3688} (( segid " " and resid 121 and name HB )) ( segid " " and resid 123 and name HD2%) ASSI { 3692} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB1 )) 3.000 1.100 1.100 peak 3692 spectrum 1 weight 0.11000E+01 volume 0.55979E-03 ppm1 4.027 ppm2 2.958 CV 1 ASSI { 3699} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 122 and name HD% ) 3.300 1.300 1.300 peak 3699 spectrum 1 weight 0.11000E+01 volume 0.82551E-03 ppm1 2.954 ppm2 6.635 CV 1 ASSI { 3707} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HB1 )) 5.300 3.500 0.700 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.66671E-03 ppm1 4.209 ppm2 3.387 CV 1 ASSI { 3708} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HB2 )) 5.100 3.200 0.900 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.57329E-03 ppm1 4.207 ppm2 3.015 CV 1 ASSI { 3709} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HA )) 4.600 2.600 1.400 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.55640E-03 ppm1 4.211 ppm2 5.650 CV 1 ASSI { 3712} (( segid " " and resid 134 and name HA )) ( segid " " and resid 134 and name HD% ) 2.900 1.100 1.100 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.96507E-03 ppm1 5.252 ppm2 6.627 CV 1 ASSI { 3714} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 3.500 1.500 1.500 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.80939E-03 ppm1 5.266 ppm2 1.844 CV 1 ASSI { 3715} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB1 )) 2.800 1.000 1.000 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.10051E-02 ppm1 5.250 ppm2 2.305 CV 1 ASSI { 3716} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 2.200 0.600 0.600 peak 3716 spectrum 1 weight 0.10000E+01 volume 0.84411E-03 ppm1 2.286 ppm2 1.844 CV 1 ASSI { 3722} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 122 and name HA )) 4.500 2.500 1.500 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.29850E-03 ppm1 2.278 ppm2 4.013 CV 1 ASSI { 3724} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 134 and name HA )) 4.200 2.200 1.800 peak 3724 spectrum 1 weight 0.10000E+01 volume 0.65165E-03 ppm1 3.771 ppm2 5.263 CV 1 ASSI { 3725} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 134 and name HA )) 4.400 2.400 1.600 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.50193E-03 ppm1 3.659 ppm2 5.256 CV 1 ASSI { 3726} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 121 and name HB )) 3.600 1.600 1.600 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.36351E-03 ppm1 3.769 ppm2 1.999 CV 1 ASSI { 3728} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 121 and name HB )) 4.200 2.200 1.800 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.46009E-03 ppm1 3.653 ppm2 1.995 CV 1 ASSI { 3730} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HB2 )) 2.300 0.700 0.700 peak 3730 spectrum 1 weight 0.11000E+01 volume 0.78999E-03 ppm1 3.189 ppm2 2.501 CV 1 ASSI { 3732} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HA )) 4.000 2.000 2.000 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.32261E-03 ppm1 3.173 ppm2 4.880 CV 1 ASSI { 3733} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 3.400 1.400 1.400 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.35638E-03 ppm1 2.494 ppm2 4.887 CV 1 ASSI { 3734} (( segid " " and resid 136 and name HB1 )) ( segid " " and resid 108 and name HD% ) 3.000 1.100 1.100 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.52464E-03 ppm1 3.171 ppm2 6.731 CV 1 ASSI { 3735} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 108 and name HD% ) 5.000 3.200 1.000 peak 3735 spectrum 1 weight 0.10000E+01 volume 0.38478E-03 ppm1 2.498 ppm2 6.727 CV 1 ASSI { 3740} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 3.000 1.100 1.100 peak 3740 spectrum 1 weight 0.11000E+01 volume 0.64214E-03 ppm1 5.541 ppm2 3.338 CV 1 ASSI { 3741} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HN )) 3.100 3.100 2.900 peak 3741 spectrum 1 weight 0.11000E+01 volume 0.94054E-03 ppm1 5.531 ppm2 9.789 CV 1 ASSI { 3743} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 111 and name HD1 )) 3.200 1.300 1.300 peak 3743 spectrum 1 weight 0.10000E+01 volume 0.75591E-03 ppm1 3.341 ppm2 1.687 CV 1 OR { 3743} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 111 and name HD2 )) ASSI { 3748} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HN )) 4.000 4.000 2.000 peak 3748 spectrum 1 weight 0.11000E+01 volume 0.75264E-03 ppm1 3.343 ppm2 9.793 CV 1 ASSI { 3749} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HN )) 3.200 3.200 2.800 peak 3749 spectrum 1 weight 0.11000E+01 volume 0.55142E-03 ppm1 2.939 ppm2 9.778 CV 1 ASSI { 3750} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HA )) 2.700 0.900 0.900 peak 3750 spectrum 1 weight 0.11000E+01 volume 0.11211E-02 ppm1 4.280 ppm2 5.194 CV 1 ASSI { 3752} (( segid " " and resid 138 and name HB )) ( segid " " and resid 108 and name HE% ) 4.000 2.000 2.000 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.70287E-03 ppm1 4.285 ppm2 6.500 CV 1 ASSI { 3754} (( segid " " and resid 138 and name HB )) (( segid " " and resid 136 and name HD1 )) 3.700 1.700 1.700 peak 3754 spectrum 1 weight 0.10000E+01 volume 0.50787E-03 ppm1 4.286 ppm2 6.909 CV 1 ASSI { 3757} (( segid " " and resid 138 and name HB )) (( segid " " and resid 136 and name HE1 )) 3.400 1.400 1.400 peak 3757 spectrum 1 weight 0.10000E+01 volume 0.48695E-03 ppm1 4.277 ppm2 9.790 CV 1 ASSI { 3759} (( segid " " and resid 140 and name HA )) (( segid " " and resid 141 and name HN )) 3.500 1.600 1.600 peak 3759 spectrum 1 weight 0.11000E+01 volume 0.60809E-03 ppm1 4.246 ppm2 7.133 CV 1 ASSI { 3766} (( segid " " and resid 25 and name HG )) ( segid " " and resid 108 and name HE% ) 5.000 3.200 1.000 peak 3766 spectrum 1 weight 0.10000E+01 volume 0.61769E-03 ppm1 0.794 ppm2 6.485 CV 1 ASSI { 3767} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HN )) 3.100 1.200 1.200 peak 3767 spectrum 1 weight 0.11000E+01 volume 0.10662E-02 ppm1 4.552 ppm2 7.101 CV 1 ASSI { 3769} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.500 peak 3769 spectrum 1 weight 0.11000E+01 volume 0.97785E-03 ppm1 4.556 ppm2 7.523 CV 1 ASSI { 3770} ( segid " " and resid 141 and name HB% ) ( segid " " and resid 22 and name HD2%) 3.400 1.500 1.500 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.59958E-03 ppm1 1.165 ppm2 -0.443 CV 1 ASSI { 3773} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HA )) 3.200 1.200 1.200 peak 3773 spectrum 1 weight 0.11000E+01 volume 0.15280E-02 ppm1 3.107 ppm2 4.861 CV 1 ASSI { 3775} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 9 and name HB1 )) 4.500 2.500 1.500 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.19662E-03 ppm1 3.093 ppm2 2.709 CV 1 ASSI { 3777} (( segid " " and resid 143 and name HA )) ( segid " " and resid 20 and name HE% ) 5.000 3.200 1.200 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.61624E-03 ppm1 3.642 ppm2 6.801 CV 1 ASSI { 3786} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 144 and name HN )) 4.300 2.300 1.700 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.92224E-03 ppm1 1.892 ppm2 8.205 CV 1 ASSI { 3794} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 4.500 2.500 1.500 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.29126E-03 ppm1 3.760 ppm2 3.988 CV 1 ASSI { 3799} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.600 0.900 0.900 peak 3799 spectrum 1 weight 0.11000E+01 volume 0.13506E-02 ppm1 4.380 ppm2 2.300 CV 1 ASSI { 3805} (( segid " " and resid 19 and name HA )) ( segid " " and resid 20 and name HD% ) 3.900 1.900 1.900 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.45766E-03 ppm1 4.241 ppm2 7.464 CV 1 ASSI { 3808} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 22 and name HD1%) 2.600 2.600 3.400 peak 3808 spectrum 1 weight 0.11000E+01 volume 0.24556E-02 ppm1 1.250 ppm2 -0.010 CV 1 OR { 3808} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 22 and name HD1%) ASSI { 3822} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HN )) 4.000 2.000 2.000 peak 3822 spectrum 1 weight 0.11000E+01 volume 0.46686E-03 ppm1 3.636 ppm2 8.199 CV 1 ASSI { 3823} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HB2 )) 4.200 4.200 1.800 peak 3823 spectrum 1 weight 0.11000E+01 volume 0.18920E-02 ppm1 3.637 ppm2 4.064 CV 1 OR { 3823} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI { 3829} (( segid " " and resid 32 and name HA )) (( segid " " and resid 31 and name HN )) 4.600 4.600 1.400 peak 3829 spectrum 1 weight 0.11000E+01 volume 0.43343E-03 ppm1 5.510 ppm2 9.112 CV 1 ASSI { 3836} (( segid " " and resid 32 and name HB )) (( segid " " and resid 33 and name HN )) 5.200 3.300 0.800 peak 3836 spectrum 1 weight 0.11000E+01 volume 0.46021E-03 ppm1 3.964 ppm2 9.344 CV 1 ASSI { 3837} (( segid " " and resid 33 and name HB )) (( segid " " and resid 32 and name HA )) 4.500 2.500 0.500 peak 3837 spectrum 1 weight 0.11000E+01 volume 0.51928E-03 ppm1 2.207 ppm2 5.490 CV 1 ASSI { 3846} (( segid " " and resid 40 and name HA )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 3846 spectrum 1 weight 0.11000E+01 volume 0.62434E-03 ppm1 4.621 ppm2 8.229 CV 1 ASSI { 3866} (( segid " " and resid 53 and name HA )) ( segid " " and resid 54 and name HB% ) 4.500 2.500 1.500 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.15055E-02 ppm1 4.383 ppm2 1.437 CV 1 ASSI { 3869} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 54 and name HA )) 2.100 0.500 0.500 peak 3869 spectrum 1 weight 0.11000E+01 volume 0.16976E-01 ppm1 1.428 ppm2 4.297 CV 1 ASSI { 3870} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 55 and name HA )) 3.300 1.500 1.500 peak 3870 spectrum 1 weight 0.11000E+01 volume 0.68828E-02 ppm1 1.433 ppm2 4.361 CV 1 OR { 3870} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HA )) ASSI { 3872} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 57 and name HN )) 5.500 3.500 0.600 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.55697E-03 ppm1 1.429 ppm2 7.571 CV 1 ASSI { 3874} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 108 and name HB2 )) 4.400 2.400 1.600 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.16647E-02 ppm1 1.099 ppm2 2.412 CV 1 ASSI { 3875} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.26896E-02 ppm1 1.194 ppm2 2.777 CV 1 ASSI { 3877} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 69 and name HB2 )) 3.800 1.800 1.800 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.16382E-02 ppm1 1.193 ppm2 2.605 CV 1 ASSI { 3878} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 57 and name HA )) 2.100 0.600 0.600 peak 3878 spectrum 1 weight 0.11000E+01 volume 0.57101E-02 ppm1 1.199 ppm2 4.054 CV 1 ASSI { 3881} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 69 and name HA )) 3.700 1.700 1.700 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.12065E-02 ppm1 1.198 ppm2 4.814 CV 1 ASSI { 3883} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 56 and name HN )) 4.100 2.100 1.900 peak 3883 spectrum 1 weight 0.11000E+01 volume 0.19070E-02 ppm1 1.197 ppm2 8.428 CV 1 ASSI { 3886} (( segid " " and resid 71 and name HA2 )) (( segid " " and resid 103 and name HA )) 3.600 3.600 2.400 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.98862E-03 ppm1 3.997 ppm2 4.362 CV 1 ASSI { 3888} (( segid " " and resid 56 and name HA1 )) ( segid " " and resid 73 and name HD2%) 5.900 4.300 0.100 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.46219E-03 ppm1 3.991 ppm2 0.854 CV 1 ASSI { 3891} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 48 and name HB2 )) 5.400 3.600 0.600 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.39958E-03 ppm1 3.982 ppm2 1.813 CV 1 ASSI { 3893} (( segid " " and resid 57 and name HA )) (( segid " " and resid 72 and name HB2 )) 4.400 2.400 1.600 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.60258E-03 ppm1 4.041 ppm2 1.956 CV 1 OR { 3893} (( segid " " and resid 57 and name HA )) (( segid " " and resid 72 and name HB1 )) ASSI { 3899} ( segid " " and resid 57 and name HB% ) (( segid " " and resid 60 and name HA )) 4.500 2.500 1.500 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.48976E-03 ppm1 1.205 ppm2 5.621 CV 1 ASSI { 3911} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HN )) 3.100 1.200 1.200 peak 3911 spectrum 1 weight 0.11000E+01 volume 0.73396E-03 ppm1 1.694 ppm2 9.765 CV 1 ASSI { 3913} (( segid " " and resid 62 and name HB )) (( segid " " and resid 42 and name HN )) 4.500 2.500 1.500 peak 3913 spectrum 1 weight 0.11000E+01 volume 0.62924E-03 ppm1 4.036 ppm2 8.897 CV 1 OR { 3913} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HN )) ASSI { 4546} (( segid " " and resid 53 and name HA )) (( segid " " and resid 62 and name HG2% )) 4.000 2.200 1.000 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.56101E-03 ppm1 4.042 ppm2 8.163 CV 1 ASSI { 3917} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HA )) 2.400 0.700 0.700 peak 3917 spectrum 1 weight 0.11000E+01 volume 0.47729E-02 ppm1 1.173 ppm2 4.923 CV 1 ASSI { 3919} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 63 and name HN )) 3.300 1.500 1.300 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.40631E-02 ppm1 1.175 ppm2 8.544 CV 1 ASSI { 4623} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 87 and name HN )) 5.000 3.200 1.000 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.40631E-02 ppm1 1.175 ppm2 8.544 CV 1 ASSI { 3920} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 40 and name HN )) 4.000 2.200 2.000 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.11977E-02 ppm1 1.173 ppm2 8.168 CV 1 OR { 3920} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 53 and name HN )) ASSI { 3922} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.300 1.300 1.300 peak 3922 spectrum 1 weight 0.11000E+01 volume 0.81361E-03 ppm1 1.996 ppm2 4.825 CV 1 ASSI { 3929} (( segid " " and resid 67 and name HB )) (( segid " " and resid 66 and name HA )) 4.500 2.500 1.500 peak 3929 spectrum 1 weight 0.11000E+01 volume 0.10634E-02 ppm1 3.999 ppm2 4.514 CV 1 ASSI { 3932} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HA )) 3.200 1.300 1.300 peak 3932 spectrum 1 weight 0.11000E+01 volume 0.42335E-03 ppm1 3.109 ppm2 4.822 CV 1 ASSI { 3939} (( segid " " and resid 72 and name HA )) (( segid " " and resid 57 and name HA )) 3.000 1.200 1.000 peak 3939 spectrum 1 weight 0.11000E+01 volume 0.19511E-02 ppm1 4.506 ppm2 4.026 CV 1 ASSI { 3940} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 10 and name HN )) 4.300 2.500 0.700 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.33339E-03 ppm1 1.334 ppm2 7.343 CV 1 ASSI { 3943} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 9 and name HA )) 4.000 2.200 1.000 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.46721E-03 ppm1 1.332 ppm2 3.665 CV 1 ASSI { 3944} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.500 0.800 0.800 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.43742E-02 ppm1 4.341 ppm2 1.728 CV 1 ASSI { 3945} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB )) 2.700 0.900 0.900 peak 3945 spectrum 1 weight 0.11000E+01 volume 0.30644E-02 ppm1 4.428 ppm2 1.995 CV 1 ASSI { 3946} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HA )) 4.100 2.100 1.900 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.83666E-03 ppm1 4.427 ppm2 5.236 CV 1 ASSI { 3947} (( segid " " and resid 83 and name HA )) ( segid " " and resid 84 and name HD1%) 5.500 3.700 0.700 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.66454E-03 ppm1 4.430 ppm2 0.439 CV 1 ASSI { 3948} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB1 )) 2.900 1.000 1.000 peak 3948 spectrum 1 weight 0.10000E+01 volume 0.22570E-02 ppm1 4.681 ppm2 2.050 CV 1 OR { 3948} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) ASSI { 3949} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG2 )) 3.600 1.600 1.600 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.16023E-02 ppm1 4.684 ppm2 2.435 CV 1 ASSI { 3951} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 2.400 0.700 0.700 peak 3951 spectrum 1 weight 0.11000E+01 volume 0.12550E-01 ppm1 4.916 ppm2 2.840 CV 1 OR { 3951} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) ASSI { 3959} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HN )) 2.400 0.700 0.700 peak 3959 spectrum 1 weight 0.11000E+01 volume 0.29860E-02 ppm1 5.167 ppm2 9.678 CV 1 ASSI { 3962} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HN )) 3.100 1.200 1.200 peak 3962 spectrum 1 weight 0.11000E+01 volume 0.76450E-03 ppm1 5.482 ppm2 9.675 CV 1 ASSI { 3963} (( segid " " and resid 108 and name HA )) ( segid " " and resid 108 and name HD% ) 3.200 1.300 1.300 peak 3963 spectrum 1 weight 0.11000E+01 volume 0.76652E-03 ppm1 5.479 ppm2 6.742 CV 1 ASSI { 3966} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB1 )) 2.800 1.000 1.000 peak 3966 spectrum 1 weight 0.11000E+01 volume 0.73773E-03 ppm1 5.480 ppm2 2.975 CV 1 ASSI { 3985} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB1 )) 3.700 1.700 1.700 peak 3985 spectrum 1 weight 0.10000E+01 volume 0.62742E-03 ppm1 5.662 ppm2 3.393 CV 1 ASSI { 3986} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB2 )) 2.900 1.000 1.000 peak 3986 spectrum 1 weight 0.11000E+01 volume 0.96055E-03 ppm1 5.647 ppm2 3.032 CV 1 ASSI { 3998} (( segid " " and resid 135 and name HA )) ( segid " " and resid 123 and name HD1%) 4.200 2.200 1.800 peak 3998 spectrum 1 weight 0.10000E+01 volume 0.91570E-03 ppm1 5.384 ppm2 0.691 CV 1 OR { 3998} (( segid " " and resid 135 and name HA )) ( segid " " and resid 123 and name HD2%) ASSI { 4002} (( segid " " and resid 132 and name HA )) (( segid " " and resid 124 and name HN )) 4.000 2.200 2.000 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.16234E-02 ppm1 5.197 ppm2 6.518 CV 1 ASSI { 4005} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 108 and name HB1 )) 3.400 1.500 1.500 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 1.096 ppm2 2.978 CV 1 ASSI { 4006} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 140 and name HD2%) 3.900 1.900 1.900 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.62590E-03 ppm1 1.094 ppm2 0.661 CV 1 ASSI { 4007} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 84 and name HD2%) 5.200 3.400 0.800 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.49638E-03 ppm1 1.100 ppm2 0.448 CV 1 ASSI { 4008} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 22 and name HD2%) 3.100 1.200 1.200 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.86093E-03 ppm1 1.099 ppm2 -0.447 CV 1 ASSI { 4009} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 105 and name HB1 )) 4.600 4.600 1.400 peak 4009 spectrum 1 weight 0.11000E+01 volume 0.74593E-03 ppm1 0.333 ppm2 3.092 CV 1 ASSI { 4019} ( segid " " and resid 98 and name HD2%) (( segid " " and resid 97 and name HN )) 4.500 2.500 1.500 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.56169E-03 ppm1 0.954 ppm2 7.078 CV 1 ASSI { 4022} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 26 and name HB2 )) 3.600 1.700 1.700 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 2.433 ppm2 1.873 CV 1 ASSI { 4028} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 0.864 ppm2 4.691 CV 1 ASSI { 4038} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 10 and name HA )) 5.000 3.200 1.000 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.42190E-03 ppm1 0.740 ppm2 5.360 CV 1 ASSI { 4044} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 21 and name HN )) 5.000 3.100 1.000 peak 4044 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 0.739 ppm2 8.569 CV 1 ASSI { 4047} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 20 and name HN )) 4.100 2.100 1.900 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.85667E-03 ppm1 0.736 ppm2 9.303 CV 1 ASSI { 4049} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HN )) 3.500 1.500 1.300 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.65773E-03 ppm1 2.222 ppm2 7.586 CV 1 ASSI { 4050} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HN )) 3.500 1.500 1.200 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.84202E-03 ppm1 2.114 ppm2 7.591 CV 1 ASSI { 4052} (( segid " " and resid 128 and name HG1 )) ( segid " " and resid 96 and name HG2%) 4.000 2.200 2.000 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.11347E-02 ppm1 2.436 ppm2 1.255 CV 1 ASSI { 4062} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 83 and name HN )) 4.000 2.200 2.000 peak 4062 spectrum 1 weight 0.10000E+01 volume 0.57059E-03 ppm1 2.290 ppm2 7.512 CV 1 ASSI { 4076} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HD1 )) 1.900 0.500 0.500 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.12405E-01 ppm1 2.899 ppm2 1.629 CV 1 OR { 4076} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HD2 )) OR { 4076} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HD1 )) OR { 4076} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HD2 )) OR { 4076} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HB1 )) OR { 4076} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HB1 )) ASSI { 4079} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HN )) 3.800 1.800 1.800 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.77827E-03 ppm1 2.904 ppm2 8.731 CV 1 OR { 4079} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 75 and name HN )) ASSI { 4084} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 9 and name HN )) 5.000 3.200 1.000 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.49958E-03 ppm1 2.903 ppm2 9.634 CV 1 OR { 4084} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 9 and name HN )) ASSI { 4085} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 26 and name HD2 )) 1.800 1.800 4.200 peak 4085 spectrum 1 weight 0.10000E+01 volume 0.90661E-02 ppm1 2.909 ppm2 1.703 CV 1 OR { 4085} (( segid " " and resid 75 and name HE2 )) (( segid " " and resid 26 and name HD1 )) OR { 4085} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 26 and name HD2 )) OR { 4085} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 26 and name HD1 )) ASSI { 4087} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 147 and name HD2 )) 2.800 2.800 3.200 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.77302E-03 ppm1 3.187 ppm2 3.635 CV 1 OR { 4087} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 147 and name HD2 )) ASSI { 4100} (( segid " " and resid 47 and name HA )) (( segid " " and resid 6 and name HE22)) 4.200 2.200 1.800 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.68523E-03 ppm1 4.226 ppm2 6.802 CV 1 ASSI { 4104} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 92 and name HB1 )) 5.300 3.500 0.700 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.47550E-03 ppm1 3.679 ppm2 2.824 CV 1 OR { 4104} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 92 and name HB2 )) ASSI { 4119} (( segid " " and resid 131 and name HB )) ( segid " " and resid 133 and name HE% ) 4.700 2.800 1.300 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.50498E-03 ppm1 3.518 ppm2 6.241 CV 1 ASSI { 4121} (( segid " " and resid 131 and name HB )) (( segid " " and resid 131 and name HN )) 4.100 2.100 1.900 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.48569E-03 ppm1 3.520 ppm2 7.041 CV 1 ASSI { 4126} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HA )) 5.000 3.100 1.000 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.69048E-03 ppm1 2.493 ppm2 4.891 CV 1 ASSI { 4139} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 86 and name HA )) 4.900 2.900 1.100 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.46371E-03 ppm1 0.762 ppm2 4.662 CV 1 ASSI { 4144} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 84 and name HD1%) 2.800 1.000 1.000 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.10710E-02 ppm1 1.284 ppm2 0.172 CV 1 ASSI { 4145} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 84 and name HD2%) 3.200 1.300 1.300 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.12053E-02 ppm1 1.287 ppm2 0.441 CV 1 ASSI { 4146} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 84 and name HD2%) 2.900 1.000 1.000 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.97614E-03 ppm1 1.738 ppm2 0.439 CV 1 ASSI { 4147} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HB2 )) 1.800 0.400 0.400 peak 4147 spectrum 1 weight 0.11000E+01 volume 0.17869E-02 ppm1 1.735 ppm2 1.323 CV 1 ASSI { 4150} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 108 and name HB2 )) 3.800 1.800 1.800 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.46664E-03 ppm1 1.287 ppm2 2.410 CV 1 ASSI { 4151} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 108 and name HB1 )) 4.400 2.400 1.600 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.55507E-03 ppm1 1.288 ppm2 2.963 CV 1 ASSI { 4152} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 3.200 1.300 1.300 peak 4152 spectrum 1 weight 0.11000E+01 volume 0.65895E-03 ppm1 1.738 ppm2 5.245 CV 1 ASSI { 4154} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 108 and name HD% ) 5.000 3.200 1.000 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.62871E-03 ppm1 1.286 ppm2 6.726 CV 1 ASSI { 4155} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 108 and name HD% ) 4.100 2.100 1.900 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.52388E-03 ppm1 1.747 ppm2 6.730 CV 1 ASSI { 4156} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 4156 spectrum 1 weight 0.11000E+01 volume 0.56416E-03 ppm1 1.289 ppm2 8.300 CV 1 ASSI { 4160} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 108 and name HB2 )) 4.000 2.000 2.000 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.51608E-03 ppm1 0.437 ppm2 2.408 CV 1 ASSI { 4164} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HA )) 3.400 1.400 1.400 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 0.437 ppm2 5.240 CV 1 ASSI { 4166} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 77 and name HA )) 4.500 2.500 1.500 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.49520E-03 ppm1 0.442 ppm2 5.025 CV 1 ASSI { 4169} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 141 and name HN )) 5.200 3.400 0.800 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.42046E-03 ppm1 0.437 ppm2 7.118 CV 1 ASSI { 4178} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG )) 3.400 1.400 1.400 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.47729E-03 ppm1 1.292 ppm2 0.882 CV 1 ASSI { 4183} (( segid " " and resid 140 and name HG )) (( segid " " and resid 3 and name HN )) 3.300 3.300 2.700 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.29123E-03 ppm1 1.257 ppm2 8.468 CV 1 ASSI { 4187} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HN )) 5.100 3.200 0.900 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.44998E-03 ppm1 0.471 ppm2 9.002 CV 1 ASSI { 4188} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HB1 )) 2.000 0.500 0.500 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.24412E-02 ppm1 3.980 ppm2 3.096 CV 1 ASSI { 4196} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 108 and name HE% ) 3.600 1.600 1.600 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.41323E-03 ppm1 3.099 ppm2 6.454 CV 1 ASSI { 4200} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HA )) 4.600 2.600 1.400 peak 4200 spectrum 1 weight 0.11000E+01 volume 0.56683E-03 ppm1 3.726 ppm2 4.554 CV 1 ASSI { 4201} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HA )) 4.400 2.400 1.600 peak 4201 spectrum 1 weight 0.11000E+01 volume 0.61030E-03 ppm1 4.022 ppm2 4.552 CV 1 ASSI { 4216} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 33 and name HB )) 2.800 1.000 1.000 peak 4216 spectrum 1 weight 0.11000E+01 volume 0.75636E-03 ppm1 1.398 ppm2 2.204 CV 1 ASSI { 4218} (( segid " " and resid 120 and name HG1 )) (( segid " " and resid 136 and name HA )) 4.700 2.700 1.300 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.66895E-03 ppm1 1.631 ppm2 4.889 CV 1 ASSI { 4220} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 4220 spectrum 1 weight 0.10000E+01 volume 0.47782E-03 ppm1 1.430 ppm2 5.357 CV 1 ASSI { 4225} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 34 and name HN )) 4.100 2.100 1.900 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.57280E-03 ppm1 1.399 ppm2 8.320 CV 1 OR { 4225} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 34 and name HN )) ASSI { 4230} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 41 and name HD1%) 4.400 2.400 1.600 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.28817E-02 ppm1 0.960 ppm2 0.624 CV 1 ASSI { 4233} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HA )) 2.500 0.800 0.800 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.74773E-02 ppm1 3.965 ppm2 4.289 CV 1 OR { 4233} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 4245} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.600 1.600 1.600 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.55153E-03 ppm1 1.853 ppm2 5.854 CV 1 ASSI { 4247} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 59 and name HG2%) 3.800 1.500 1.500 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.47751E-03 ppm1 1.718 ppm2 1.159 CV 1 ASSI { 4250} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 59 and name HG2%) 4.500 2.600 1.500 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.35733E-03 ppm1 1.838 ppm2 1.148 CV 1 ASSI { 4251} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 75 and name HA )) 4.100 4.100 1.900 peak 4251 spectrum 1 weight 0.11000E+01 volume 0.62308E-03 ppm1 0.634 ppm2 4.837 CV 1 ASSI { 4252} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) 4.500 2.500 1.500 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.59828E-03 ppm1 0.671 ppm2 5.849 CV 1 ASSI { 4253} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.47390E-03 ppm1 2.334 ppm2 5.189 CV 1 ASSI { 4256} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD22)) 4.300 2.300 1.700 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.58729E-03 ppm1 2.349 ppm2 7.078 CV 1 ASSI { 4261} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HB2 )) 3.100 3.100 2.900 peak 4261 spectrum 1 weight 0.10000E+01 volume 0.13309E-03 ppm1 3.052 ppm2 2.339 CV 1 ASSI { 4266} (( segid " " and resid 45 and name HA )) (( segid " " and resid 47 and name HN )) 3.700 1.700 1.700 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.50680E-03 ppm1 3.723 ppm2 7.265 CV 1 ASSI { 4269} (( segid " " and resid 45 and name HB )) (( segid " " and resid 45 and name HA )) 3.600 1.600 1.600 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.46884E-03 ppm1 1.547 ppm2 3.746 CV 1 ASSI { 4277} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 44 and name HA )) 4.000 2.000 2.000 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.79330E-03 ppm1 0.638 ppm2 5.195 CV 1 ASSI { 4280} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HB2 )) 2.600 0.900 0.900 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.71711E-03 ppm1 4.004 ppm2 3.464 CV 1 ASSI { 4281} (( segid " " and resid 59 and name HB )) ( segid " " and resid 59 and name HG1%) 2.700 0.900 0.900 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.13634E-02 ppm1 1.874 ppm2 0.946 CV 1 ASSI { 4283} (( segid " " and resid 59 and name HB )) (( segid " " and resid 59 and name HN )) 3.100 1.200 1.200 peak 4283 spectrum 1 weight 0.10000E+01 volume 0.56352E-03 ppm1 1.872 ppm2 6.883 CV 1 ASSI { 4388} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 105 and name HN )) 4.400 2.400 1.600 peak 4388 spectrum 1 weight 0.11000E+01 volume 0.37428E-03 ppm1 0.330 ppm2 9.344 CV 1 ASSI { 4292} (( segid " " and resid 68 and name HG )) (( segid " " and resid 68 and name HN )) 4.000 2.000 2.000 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.46774E-03 ppm1 1.049 ppm2 8.998 CV 1 ASSI { 4298} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 4298 spectrum 1 weight 0.10000E+01 volume 0.58778E-03 ppm1 1.646 ppm2 4.842 CV 1 ASSI { 4301} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 9 and name HN )) 3.800 1.800 1.700 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.38109E-03 ppm1 2.099 ppm2 9.628 CV 1 ASSI { 4303} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 9 and name HN )) 4.100 2.100 1.900 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.49090E-03 ppm1 1.648 ppm2 9.620 CV 1 ASSI { 4305} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 3.100 1.200 1.200 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.67732E-03 ppm1 2.082 ppm2 4.825 CV 1 ASSI { 4306} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HG2 )) 2.900 1.000 1.000 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.12556E-02 ppm1 2.082 ppm2 1.215 CV 1 OR { 4306} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HG1 )) ASSI { 4307} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HA )) 3.500 1.500 1.500 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.215 ppm2 4.842 CV 1 OR { 4307} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HA )) ASSI { 4309} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 74 and name HA )) 4.500 2.500 1.500 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.64625E-03 ppm1 1.215 ppm2 4.566 CV 1 OR { 4309} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 74 and name HA )) ASSI { 4310} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 77 and name HN )) 5.800 4.300 0.200 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.73932E-04 ppm1 1.226 ppm2 8.911 CV 1 OR { 4310} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 77 and name HN )) ASSI { 4312} (( segid " " and resid 75 and name HD2 )) (( segid " " and resid 75 and name HN )) 5.200 3.400 0.800 peak 4312 spectrum 1 weight 0.10000E+01 volume 0.35235E-03 ppm1 1.581 ppm2 8.727 CV 1 OR { 4312} (( segid " " and resid 75 and name HD1 )) (( segid " " and resid 75 and name HN )) ASSI { 4314} (( segid " " and resid 40 and name HD1 )) (( segid " " and resid 40 and name HE1 )) 2.300 0.700 0.700 peak 4314 spectrum 1 weight 0.11000E+01 volume 0.65819E-02 ppm1 1.618 ppm2 2.895 CV 1 OR { 4314} (( segid " " and resid 40 and name HD2 )) (( segid " " and resid 40 and name HE2 )) OR { 4314} (( segid " " and resid 40 and name HD2 )) (( segid " " and resid 40 and name HE1 )) OR { 4314} (( segid " " and resid 40 and name HD1 )) (( segid " " and resid 40 and name HE2 )) ASSI { 4319} ( segid " " and resid 84 and name HD2%) ( segid " " and resid 108 and name HD% ) 3.700 1.700 1.700 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 0.432 ppm2 6.743 CV 1 ASSI { 4322} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 3.600 1.600 1.400 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.19814E-02 ppm1 4.557 ppm2 7.591 CV 1 ASSI { 4324} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 97 and name HN )) 3.500 1.500 1.500 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 0.875 ppm2 7.076 CV 1 ASSI { 4326} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HN )) 3.200 1.300 1.300 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.38406E-03 ppm1 2.412 ppm2 9.663 CV 1 ASSI { 4330} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) 3.400 1.400 1.400 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.60536E-03 ppm1 5.496 ppm2 2.408 CV 1 ASSI { 4342} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 108 and name HN )) 2.900 2.900 3.100 peak 4342 spectrum 1 weight 0.10000E+01 volume 0.53963E-03 ppm1 1.095 ppm2 9.664 CV 1 ASSI { 4355} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HG12)) 3.100 1.200 1.200 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.42734E-02 ppm1 0.545 ppm2 1.614 CV 1 ASSI { 4357} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 84 and name HD2%) 3.000 1.100 1.100 peak 4357 spectrum 1 weight 0.10000E+01 volume 0.52848E-02 ppm1 -0.450 ppm2 0.447 CV 1 ASSI { 4365} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HE21)) 4.200 2.200 1.800 peak 4365 spectrum 1 weight 0.10000E+01 volume 0.58565E-03 ppm1 2.048 ppm2 7.656 CV 1 ASSI { 4366} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HE21)) 4.600 2.700 1.400 peak 4366 spectrum 1 weight 0.10000E+01 volume 0.59452E-03 ppm1 2.122 ppm2 7.661 CV 1 ASSI { 4367} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) 4.000 2.000 2.000 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.36546E-03 ppm1 2.616 ppm2 4.817 CV 1 ASSI { 4370} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 129 and name HN )) 4.700 2.800 1.300 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.54861E-03 ppm1 2.428 ppm2 6.665 CV 1 ASSI { 4652} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 129 and name HN )) 4.700 2.800 1.300 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.54861E-03 ppm1 2.369 ppm2 6.665 CV 1 ASSI { 4377} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 94 and name HA )) 5.600 3.900 0.400 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.60543E-03 ppm1 2.236 ppm2 5.160 CV 1 ASSI { 4378} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 94 and name HA )) 5.200 3.400 0.800 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.66793E-03 ppm1 2.141 ppm2 5.163 CV 1 ASSI { 4379} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HD1 )) 3.300 1.300 1.300 peak 4379 spectrum 1 weight 0.10000E+01 volume 0.16580E-02 ppm1 2.240 ppm2 4.391 CV 1 ASSI { 4386} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 59 and name HG1%) 4.800 2.900 1.200 peak 4386 spectrum 1 weight 0.10000E+01 volume 0.10415E-02 ppm1 0.539 ppm2 0.975 CV 1 ASSI { 4387} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 68 and name HD2%) 3.500 1.500 1.500 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.24899E-02 ppm1 0.540 ppm2 0.442 CV 1 ASSI { 4395} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD1 )) 2.600 0.800 0.800 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.28997E-02 ppm1 2.149 ppm2 3.946 CV 1 OR { 4395} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HD2 )) OR { 4395} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 14 and name HD1 )) OR { 4395} (( segid " " and resid 14 and name HG2 )) (( segid " " and resid 14 and name HD2 )) ASSI { 4398} (( segid " " and resid 14 and name HG2 )) ( segid " " and resid 15 and name HB% ) 4.200 2.200 1.800 peak 4398 spectrum 1 weight 0.10000E+01 volume 0.65237E-03 ppm1 2.152 ppm2 1.542 CV 1 OR { 4398} (( segid " " and resid 14 and name HG1 )) ( segid " " and resid 15 and name HB% ) ASSI { 4404} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 66 and name HN )) 4.600 2.700 1.400 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.89870E-03 ppm1 2.063 ppm2 7.591 CV 1 ASSI { 4406} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 66 and name HN )) 3.500 1.500 1.500 peak 4406 spectrum 1 weight 0.10000E+01 volume 0.78923E-03 ppm1 1.870 ppm2 7.584 CV 1 ASSI { 4407} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 65 and name HG2 )) 1.800 0.400 0.500 peak 4407 spectrum 1 weight 0.11000E+01 volume 0.53655E-02 ppm1 2.067 ppm2 1.885 CV 1 ASSI { 4412} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HE1 )) 3.300 1.400 1.400 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.10083E-02 ppm1 1.265 ppm2 2.735 CV 1 OR { 4412} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HE1 )) OR { 4412} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HE2 )) OR { 4412} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HE2 )) ASSI { 4414} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 129 and name HN )) 3.000 1.100 1.100 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.65986E-03 ppm1 2.247 ppm2 6.664 CV 1 ASSI { 4415} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 129 and name HN )) 4.300 2.300 1.700 peak 4415 spectrum 1 weight 0.10000E+01 volume 0.80071E-03 ppm1 2.128 ppm2 6.667 CV 1 ASSI { 4417} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 129 and name HG2%) 4.800 2.900 1.200 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 2.132 ppm2 1.085 CV 1 ASSI { 4419} (( segid " " and resid 128 and name HB2 )) ( segid " " and resid 96 and name HG2%) 4.500 2.600 1.500 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.73928E-03 ppm1 2.132 ppm2 1.249 CV 1 ASSI { 4425} (( segid " " and resid 100 and name HG1 )) (( segid " " and resid 100 and name HN )) 2.900 1.000 1.000 peak 4425 spectrum 1 weight 0.10000E+01 volume 0.17851E-02 ppm1 2.511 ppm2 8.566 CV 1 ASSI { 4427} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.600 1.700 1.700 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.93898E-03 ppm1 1.844 ppm2 8.552 CV 1 OR { 4427} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 63 and name HN )) ASSI { 4448} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 143 and name HN )) 4.800 2.800 1.200 peak 4448 spectrum 1 weight 0.10000E+01 volume 0.42586E-03 ppm1 1.902 ppm2 8.973 CV 1 ASSI { 4447} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 143 and name HN )) 5.000 3.200 1.000 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.34765E-03 ppm1 2.005 ppm2 8.979 CV 1 ASSI { 4453} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 30 and name HN )) 4.000 2.200 2.000 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.82894E-03 ppm1 1.623 ppm2 7.284 CV 1 OR { 4453} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 4467} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HN )) 2.500 0.800 0.800 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.57926E-02 ppm1 4.213 ppm2 8.364 CV 1 ASSI { 4469} ( segid " " and resid 129 and name HG2%) (( segid " " and resid 128 and name HB1 )) 3.300 1.500 1.000 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.25234E-02 ppm1 1.083 ppm2 2.246 CV 1 ASSI { 4482} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 68 and name HN )) 3.000 1.100 1.100 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.29943E-02 ppm1 1.074 ppm2 8.999 CV 1 ASSI { 4489} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 84 and name HB1 )) 4.900 2.900 1.100 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.44610E-03 ppm1 -0.447 ppm2 1.744 CV 1 ASSI { 4490} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 41 and name HN )) 4.900 3.000 1.100 peak 4490 spectrum 1 weight 0.10000E+01 volume 0.46276E-03 ppm1 0.545 ppm2 9.095 CV 1 ASSI { 4491} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 84 and name HD2%) 4.700 2.700 1.300 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.59075E-03 ppm1 2.643 ppm2 0.446 CV 1 ASSI { 4492} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 84 and name HD2%) 3.400 1.400 1.400 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.62228E-03 ppm1 3.002 ppm2 0.446 CV 1 ASSI { 4493} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 141 and name HN )) 4.700 2.800 1.300 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.72765E-03 ppm1 -0.023 ppm2 7.116 CV 1 ASSI { 4497} ( segid " " and resid 98 and name HD1%) (( segid " " and resid 99 and name HN )) 4.000 2.200 1.500 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.11195E-02 ppm1 0.877 ppm2 8.242 CV 1 ASSI { 4498} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 62 and name HN )) 4.900 3.100 1.100 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.57230E-03 ppm1 0.865 ppm2 9.664 CV 1 OR { 4498} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 60 and name HN )) ASSI { 4506} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 107 and name HA )) 3.900 1.900 1.900 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.55131E-03 ppm1 1.261 ppm2 5.168 CV 1 OR { 4506} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 107 and name HA )) ASSI { 4508} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.900 2.900 3.100 peak 4508 spectrum 1 weight 0.11000E+01 volume 0.10507E-02 ppm1 1.751 ppm2 4.619 CV 1 OR { 4508} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HA )) ASSI { 4521} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 141 and name HB% ) 4.200 2.200 1.800 peak 4521 spectrum 1 weight 0.10000E+01 volume 0.19132E-02 ppm1 4.228 ppm2 1.189 CV 1 ASSI { 4528} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 23 and name HA )) 4.100 2.100 1.900 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.69702E-03 ppm1 1.867 ppm2 3.679 CV 1 OR { 4528} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 23 and name HB )) ASSI { 4546} (( segid " " and resid 53 and name HA )) ( segid " " and resid 57 and name HB% ) 4.000 2.200 1.500 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.85163E-03 ppm1 4.380 ppm2 1.203 CV 1 ASSI { 4592} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 49 and name HB% ) 4.500 2.500 1.7500 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.53231E-03 ppm1 3.458 ppm2 1.039 CV 1 ASSI { 4595} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 136 and name HE1 )) 3.500 1.500 1.500 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.92570E-03 ppm1 4.342 ppm2 9.784 CV 1 OR { 4595} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 136 and name HE1 )) ASSI { 4645} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 20 and name HE% ) 3.800 1.800 1.800 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.65214E-03 ppm1 3.198 ppm2 6.815 CV 1 ASSI { 1} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HG2%) 3.700 1.800 1.800 peak 1 spectrum 1 weight 0.11000E+01 volume 0.28712E-02 ppm1 6.745 ppm2 1.116 CV 1 ASSI { 575} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 4.300 4.300 1.700 peak 575 spectrum 1 weight 0.11000E+01 volume 0.53826E-03 ppm1 9.790 ppm2 9.096 CV 1 ASSI { 580} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.600 2.600 3.400 peak 580 spectrum 1 weight 0.11000E+01 volume 0.16621E-02 ppm1 9.789 ppm2 4.889 CV 1 ASSI { 590} (( segid " " and resid 60 and name HN )) ( segid " " and resid 41 and name HG2%) 4.200 2.200 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.70117E-03 ppm1 9.772 ppm2 0.879 CV 1 ASSI { 592} (( segid " " and resid 80 and name HN )) (( segid " " and resid 83 and name HB )) 4.000 2.200 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.47280E-03 ppm1 8.392 ppm2 2.003 CV 1 ASSI { 835} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA )) 3.700 1.700 1.700 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 6.833 ppm2 4.353 CV 1 ASSI { 841} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.000 2.000 2.000 peak 841 spectrum 1 weight 0.11000E+01 volume 0.22113E-02 ppm1 6.831 ppm2 2.499 CV 1 ASSI { 842} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG1 )) 2.900 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.29707E-02 ppm1 6.831 ppm2 2.374 CV 1 OR { 842} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 843} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG2 )) 3.400 1.400 1.400 peak 843 spectrum 1 weight 0.10000E+01 volume 0.26382E-02 ppm1 6.828 ppm2 2.322 CV 1 OR { 843} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 844} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HG2%) 4.700 2.800 1.300 peak 844 spectrum 1 weight 0.10000E+01 volume 0.93875E-03 ppm1 6.828 ppm2 0.857 CV 1 OR { 844} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HG1%) ASSI { 848} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HN )) 4.000 2.000 2.000 peak 848 spectrum 1 weight 0.11000E+01 volume 0.44659E-03 ppm1 6.826 ppm2 8.415 CV 1 ASSI { 851} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA1 )) 5.300 3.500 0.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.83822E-03 ppm1 6.741 ppm2 4.178 CV 1 ASSI { 853} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA2 )) 5.000 3.100 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.80866E-03 ppm1 6.750 ppm2 3.508 CV 1 ASSI { 855} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.400 0.500 0.500 peak 855 spectrum 1 weight 0.11000E+01 volume 0.40859E-02 ppm1 6.744 ppm2 8.742 CV 1 ASSI { 856} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) 4.000 2.200 1.500 peak 856 spectrum 1 weight 0.11000E+01 volume 0.86659E-03 ppm1 6.743 ppm2 7.870 CV 1 ASSI { 857} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.300 0.600 0.600 peak 857 spectrum 1 weight 0.11000E+01 volume 0.36084E-02 ppm1 6.745 ppm2 7.763 CV 1 ASSI { 858} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 3.100 1.200 1.200 peak 858 spectrum 1 weight 0.11000E+01 volume 0.13498E-02 ppm1 8.522 ppm2 4.226 CV 1 ASSI { 862} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HB2 )) 4.500 2.600 1.500 peak 862 spectrum 1 weight 0.10000E+01 volume 0.10959E-02 ppm1 8.531 ppm2 2.117 CV 1 ASSI { 866} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 3.000 1.200 1.300 peak 866 spectrum 1 weight 0.11000E+01 volume 0.10139E-02 ppm1 8.529 ppm2 9.237 CV 1 ASSI { 874} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA1 )) 2.700 0.900 0.900 peak 874 spectrum 1 weight 0.11000E+01 volume 0.25512E-02 ppm1 7.364 ppm2 4.578 CV 1 ASSI { 877} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.500 1.500 1.500 peak 877 spectrum 1 weight 0.10000E+01 volume 0.12223E-02 ppm1 7.365 ppm2 3.941 CV 1 ASSI { 879} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA2 )) 2.200 0.600 0.600 peak 879 spectrum 1 weight 0.11000E+01 volume 0.32683E-02 ppm1 7.364 ppm2 3.583 CV 1 ASSI { 884} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HG1 )) 3.800 1.800 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.13790E-02 ppm1 7.364 ppm2 1.627 CV 1 ASSI { 885} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HG2 )) 3.500 1.500 1.100 peak 885 spectrum 1 weight 0.11000E+01 volume 0.18071E-02 ppm1 7.365 ppm2 1.460 CV 1 ASSI { 886} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.22181E-02 ppm1 7.364 ppm2 1.369 CV 1 ASSI { 887} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 4.100 2.100 1.900 peak 887 spectrum 1 weight 0.11000E+01 volume 0.12481E-02 ppm1 7.361 ppm2 9.203 CV 1 ASSI { 888} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.800 1.000 0.900 peak 888 spectrum 1 weight 0.11000E+01 volume 0.37993E-02 ppm1 7.364 ppm2 8.217 CV 1 ASSI { 891} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA2 )) 2.800 0.900 0.900 peak 891 spectrum 1 weight 0.11000E+01 volume 0.61228E-02 ppm1 8.423 ppm2 3.626 CV 1 ASSI { 892} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.500 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 8.421 ppm2 2.894 CV 1 ASSI { 893} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.900 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 8.424 ppm2 2.796 CV 1 ASSI { 897} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.900 1.000 1.000 peak 897 spectrum 1 weight 0.11000E+01 volume 0.62704E-02 ppm1 8.423 ppm2 4.362 CV 1 ASSI { 898} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.600 0.800 0.800 peak 898 spectrum 1 weight 0.11000E+01 volume 0.32530E-02 ppm1 8.423 ppm2 7.564 CV 1 ASSI { 906} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.900 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.26811E-02 ppm1 7.094 ppm2 2.016 CV 1 ASSI { 908} (( segid " " and resid 124 and name HN )) (( segid " " and resid 134 and name HA )) 4.300 2.300 1.700 peak 908 spectrum 1 weight 0.11000E+01 volume 0.74796E-03 ppm1 6.538 ppm2 5.246 CV 1 ASSI { 909} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.600 0.800 0.800 peak 909 spectrum 1 weight 0.11000E+01 volume 0.28933E-02 ppm1 6.536 ppm2 4.219 CV 1 ASSI { 910} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HA )) 4.600 2.600 1.400 peak 910 spectrum 1 weight 0.11000E+01 volume 0.77477E-03 ppm1 6.537 ppm2 4.023 CV 1 ASSI { 911} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.400 1.400 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.13494E-02 ppm1 6.539 ppm2 3.679 CV 1 OR { 911} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) OR { 911} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) OR { 911} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) ASSI { 912} (( segid " " and resid 124 and name HN )) (( segid " " and resid 133 and name HB1 )) 4.400 2.400 1.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 6.537 ppm2 2.708 CV 1 ASSI { 916} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.21046E-02 ppm1 6.540 ppm2 1.165 CV 1 ASSI { 917} (( segid " " and resid 124 and name HN )) ( segid " " and resid 123 and name HD1%) 3.900 1.900 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.39996E-02 ppm1 6.538 ppm2 0.693 CV 1 OR { 917} (( segid " " and resid 124 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 919} (( segid " " and resid 124 and name HN )) (( segid " " and resid 133 and name HN )) 3.100 1.200 1.200 peak 919 spectrum 1 weight 0.11000E+01 volume 0.10042E-02 ppm1 6.532 ppm2 8.801 CV 1 ASSI { 920} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HN )) 2.400 0.700 0.700 peak 920 spectrum 1 weight 0.11000E+01 volume 0.31073E-02 ppm1 6.537 ppm2 8.546 CV 1 ASSI { 921} (( segid " " and resid 124 and name HN )) ( segid " " and resid 133 and name HD% ) 4.100 2.100 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.86108E-03 ppm1 6.536 ppm2 6.930 CV 1 ASSI { 927} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.700 0.900 0.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.10510E-01 ppm1 8.583 ppm2 4.397 CV 1 ASSI { 929} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA1 )) 2.500 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.76203E-02 ppm1 8.582 ppm2 4.211 CV 1 ASSI { 930} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA2 )) 2.200 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.79843E-02 ppm1 8.582 ppm2 4.029 CV 1 ASSI { 931} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HD2 )) 5.100 3.200 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.55694E-03 ppm1 8.582 ppm2 1.665 CV 1 OR { 931} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HD1 )) ASSI { 932} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HB% ) 3.100 1.300 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.49280E-02 ppm1 8.583 ppm2 1.567 CV 1 ASSI { 936} (( segid " " and resid 44 and name HD21)) ( segid " " and resid 47 and name HB% ) 3.300 1.500 1.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 7.076 ppm2 1.261 CV 1 ASSI { 937} (( segid " " and resid 44 and name HD22)) ( segid " " and resid 47 and name HB% ) 3.300 1.500 1.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.15742E-02 ppm1 7.076 ppm2 1.261 CV 1 ASSI { 942} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 44 and name HB1 )) 4.100 2.100 1.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.96598E-03 ppm1 7.073 ppm2 3.052 CV 1 ASSI { 944} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 44 and name HB2 )) 3.200 3.200 2.800 peak 944 spectrum 1 weight 0.11000E+01 volume 0.64845E-03 ppm1 7.068 ppm2 2.345 CV 1 ASSI { 947} (( segid " " and resid 44 and name HD22)) (( segid " " and resid 27 and name HN )) 3.100 1.200 1.200 peak 947 spectrum 1 weight 0.10000E+01 volume 0.86298E-03 ppm1 7.079 ppm2 8.228 CV 1 ASSI { 950} (( segid " " and resid 44 and name HD21)) (( segid " " and resid 27 and name HN )) 4.200 2.200 1.800 peak 950 spectrum 1 weight 0.10000E+01 volume 0.97781E-03 ppm1 7.598 ppm2 8.220 CV 1 ASSI { 951} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.800 1.000 0.500 peak 951 spectrum 1 weight 0.11000E+01 volume 0.25987E-02 ppm1 8.214 ppm2 7.363 CV 1 ASSI { 952} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 2.900 1.000 1.000 peak 952 spectrum 1 weight 0.11000E+01 volume 0.12050E-02 ppm1 8.211 ppm2 9.202 CV 1 ASSI { 953} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG1 )) 3.500 1.600 1.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 8.214 ppm2 2.308 CV 1 OR { 953} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 954} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) 2.700 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.35863E-02 ppm1 8.217 ppm2 2.056 CV 1 OR { 954} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) ASSI { 955} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB1 )) 4.400 2.500 1.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 8.218 ppm2 1.906 CV 1 ASSI { 957} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG2 )) 4.300 2.400 1.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.89592E-03 ppm1 8.215 ppm2 1.444 CV 1 ASSI { 958} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.500 1.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.93449E-03 ppm1 8.214 ppm2 1.369 CV 1 ASSI { 961} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 961 spectrum 1 weight 0.10000E+01 volume 0.34218E-02 ppm1 8.214 ppm2 4.430 CV 1 ASSI { 962} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 3.300 1.500 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.20962E-02 ppm1 8.213 ppm2 4.015 CV 1 OR { 962} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) ASSI { 963} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.000 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.28327E-02 ppm1 8.214 ppm2 3.932 CV 1 ASSI { 964} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.23813E-02 ppm1 8.215 ppm2 3.868 CV 1 ASSI { 971} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HG2%) 4.100 2.200 1.900 peak 971 spectrum 1 weight 0.11000E+01 volume 0.16117E-02 ppm1 8.736 ppm2 1.114 CV 1 ASSI { 972} (( segid " " and resid 17 and name HN )) ( segid " " and resid 12 and name HG2%) 3.600 1.600 1.600 peak 972 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 8.736 ppm2 0.860 CV 1 ASSI { 974} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) 4.400 2.400 1.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.50376E-03 ppm1 8.745 ppm2 4.377 CV 1 OR { 974} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB )) ASSI { 975} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 2.900 1.100 1.100 peak 975 spectrum 1 weight 0.11000E+01 volume 0.22767E-02 ppm1 8.740 ppm2 4.283 CV 1 ASSI { 976} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA1 )) 2.900 1.100 1.100 peak 976 spectrum 1 weight 0.11000E+01 volume 0.37103E-02 ppm1 8.736 ppm2 4.183 CV 1 ASSI { 979} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA2 )) 2.400 0.700 0.700 peak 979 spectrum 1 weight 0.11000E+01 volume 0.37926E-02 ppm1 8.738 ppm2 3.505 CV 1 ASSI { 980} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.500 1.500 1.500 peak 980 spectrum 1 weight 0.11000E+01 volume 0.44450E-03 ppm1 8.740 ppm2 3.192 CV 1 ASSI { 982} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.600 0.800 0.800 peak 982 spectrum 1 weight 0.11000E+01 volume 0.21919E-02 ppm1 8.737 ppm2 7.872 CV 1 ASSI { 983} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 3.500 1.500 1.400 peak 983 spectrum 1 weight 0.11000E+01 volume 0.20308E-02 ppm1 8.736 ppm2 7.765 CV 1 ASSI { 988} (( segid " " and resid 119 and name HE21)) (( segid " " and resid 119 and name HG1 )) 2.800 1.000 1.000 peak 988 spectrum 1 weight 0.11000E+01 volume 0.35170E-02 ppm1 6.833 ppm2 2.440 CV 1 OR { 988} (( segid " " and resid 119 and name HE21)) (( segid " " and resid 119 and name HG2 )) ASSI { 989} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG1 )) 4.100 2.100 1.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 6.888 ppm2 2.378 CV 1 OR { 989} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HB2 )) ASSI { 990} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG2 )) 4.100 2.100 1.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.15333E-02 ppm1 6.881 ppm2 2.301 CV 1 ASSI { 991} (( segid " " and resid 119 and name HE21)) ( segid " " and resid 33 and name HG2%) 4.500 2.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.49589E-03 ppm1 6.836 ppm2 0.961 CV 1 ASSI { 992} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.900 1.100 1.100 peak 992 spectrum 1 weight 0.11000E+01 volume 0.17280E-02 ppm1 7.349 ppm2 5.361 CV 1 ASSI { 994} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HA )) 4.000 2.200 2.000 peak 994 spectrum 1 weight 0.11000E+01 volume 0.13886E-02 ppm1 7.347 ppm2 4.565 CV 1 ASSI { 996} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB2 )) 5.200 3.300 0.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.41943E-03 ppm1 7.352 ppm2 3.772 CV 1 ASSI { 997} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.800 1.000 0.900 peak 997 spectrum 1 weight 0.11000E+01 volume 0.27816E-02 ppm1 7.350 ppm2 3.665 CV 1 ASSI { 1001} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HB1 )) 4.100 2.100 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 7.621 ppm2 2.509 CV 1 ASSI { 1002} (( segid " " and resid 119 and name HE22)) (( segid " " and resid 119 and name HG1 )) 3.500 1.500 1.500 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.42624E-02 ppm1 7.571 ppm2 2.433 CV 1 OR { 1002} (( segid " " and resid 119 and name HE22)) (( segid " " and resid 119 and name HG2 )) ASSI { 1003} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HG2 )) 3.000 1.100 1.100 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.20833E-02 ppm1 7.624 ppm2 2.300 CV 1 ASSI { 1005} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.100 1.200 1.200 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 7.343 ppm2 1.788 CV 1 ASSI { 1006} (( segid " " and resid 119 and name HE22)) (( segid " " and resid 119 and name HB2 )) 5.500 3.800 0.500 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.24010E-03 ppm1 7.570 ppm2 1.734 CV 1 ASSI { 1013} (( segid " " and resid 10 and name HN )) ( segid " " and resid 77 and name HD2%) 3.800 1.800 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 7.349 ppm2 0.512 CV 1 OR { 1013} (( segid " " and resid 10 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 1014} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 3.100 1.200 1.200 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.24280E-02 ppm1 7.351 ppm2 9.633 CV 1 ASSI { 1015} (( segid " " and resid 10 and name HN )) (( segid " " and resid 77 and name HN )) 4.500 2.500 1.4500 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.91813E-03 ppm1 7.352 ppm2 8.868 CV 1 ASSI { 1024} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.100 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.75431E-03 ppm1 8.153 ppm2 4.899 CV 1 ASSI { 1027} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.22975E-02 ppm1 8.151 ppm2 3.961 CV 1 OR { 1027} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 1028} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 4.000 2.000 2.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.14088E-02 ppm1 8.155 ppm2 3.048 CV 1 ASSI { 1031} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HB1 )) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.18773E-02 ppm1 6.827 ppm2 3.138 CV 1 ASSI { 1034} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HB2 )) 2.300 0.700 0.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.35506E-02 ppm1 6.828 ppm2 2.844 CV 1 ASSI { 1037} (( segid " " and resid 4 and name HD22)) ( segid " " and resid 5 and name HG1%) 5.000 3.100 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.50635E-03 ppm1 6.936 ppm2 0.930 CV 1 OR { 1037} (( segid " " and resid 4 and name HD21)) ( segid " " and resid 5 and name HG1%) ASSI { 1041} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 6 and name HG1 )) 4.100 2.100 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.10620E-02 ppm1 6.845 ppm2 2.373 CV 1 ASSI { 1043} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 6 and name HG1 )) 2.600 0.800 0.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.28108E-02 ppm1 7.676 ppm2 2.409 CV 1 OR { 1043} (( segid " " and resid 6 and name HE21)) (( segid " " and resid 6 and name HG2 )) ASSI { 1050} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.900 1.900 1.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.14548E-02 ppm1 8.147 ppm2 2.191 CV 1 ASSI { 1053} (( segid " " and resid 59 and name HN )) (( segid " " and resid 72 and name HA )) 4.300 2.300 1.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.95221E-03 ppm1 6.896 ppm2 4.517 CV 1 ASSI { 1054} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 55 and name HA )) 4.000 2.000 2.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.47767E-03 ppm1 6.995 ppm2 4.355 CV 1 ASSI { 1055} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.800 1.800 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.56911E-03 ppm1 6.897 ppm2 4.279 CV 1 ASSI { 1058} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HB% ) 2.900 1.100 1.100 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.18109E-02 ppm1 6.903 ppm2 0.274 CV 1 ASSI { 1059} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 3.800 1.800 2.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.17767E-02 ppm1 9.106 ppm2 4.792 CV 1 ASSI { 1063} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 55 and name HA )) 4.800 2.800 1.200 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.64735E-03 ppm1 7.785 ppm2 4.358 CV 1 ASSI { 1068} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) 3.500 1.600 1.600 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.11325E-02 ppm1 9.103 ppm2 3.471 CV 1 ASSI { 1069} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.500 1.500 1.500 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.25257E-02 ppm1 8.405 ppm2 2.890 CV 1 ASSI { 1070} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.27256E-02 ppm1 8.405 ppm2 2.799 CV 1 ASSI { 1074} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.200 0.600 0.600 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.24826E-02 ppm1 6.896 ppm2 9.656 CV 1 ASSI { 1075} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD22)) 4.600 2.600 1.400 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.60985E-03 ppm1 8.404 ppm2 7.814 CV 1 ASSI { 1077} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD21)) 3.900 1.900 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.44366E-03 ppm1 8.404 ppm2 7.006 CV 1 ASSI { 1079} (( segid " " and resid 78 and name HN )) (( segid " " and resid 84 and name HA )) 4.300 2.300 1.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.64484E-03 ppm1 8.714 ppm2 5.257 CV 1 ASSI { 1080} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.200 0.600 0.600 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.50703E-02 ppm1 8.710 ppm2 5.038 CV 1 ASSI { 1081} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.800 1.000 1.000 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.25729E-02 ppm1 8.325 ppm2 4.899 CV 1 ASSI { 1082} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.400 1.400 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.78071E-03 ppm1 8.715 ppm2 4.776 CV 1 ASSI { 1085} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG2%) 3.600 1.600 1.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.46211E-02 ppm1 8.326 ppm2 0.963 CV 1 ASSI { 1086} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 55 and name HB1 )) 3.700 1.700 1.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.30203E-02 ppm1 7.794 ppm2 2.891 CV 1 ASSI { 1087} (( segid " " and resid 55 and name HD22)) (( segid " " and resid 55 and name HB2 )) 3.400 1.400 1.400 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.41867E-02 ppm1 7.796 ppm2 2.802 CV 1 ASSI { 1089} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 55 and name HB1 )) 3.100 1.200 1.200 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.19067E-02 ppm1 7.000 ppm2 2.889 CV 1 ASSI { 1090} (( segid " " and resid 55 and name HD21)) (( segid " " and resid 55 and name HB2 )) 2.800 1.000 1.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.28053E-02 ppm1 7.003 ppm2 2.799 CV 1 ASSI { 1091} (( segid " " and resid 55 and name HD21)) ( segid " " and resid 54 and name HB% ) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.14850E-02 ppm1 7.003 ppm2 1.435 CV 1 ASSI { 3050} (( segid " " and resid 55 and name HD21)) ( segid " " and resid 48 and name HB1 ) 4.200 2.200 1.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.14850E-02 ppm1 7.003 ppm2 1.435 CV 1 ASSI { 1096} (( segid " " and resid 78 and name HN )) ( segid " " and resid 86 and name HD2%) 4.000 2.200 1.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.14152E-02 ppm1 8.709 ppm2 0.687 CV 1 ASSI { 1102} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB )) 1.900 0.400 0.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.49615E-02 ppm1 8.326 ppm2 2.212 CV 1 ASSI { 1103} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 4.000 2.000 2.000 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.66177E-03 ppm1 8.319 ppm2 3.537 CV 1 ASSI { 1104} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.400 1.400 1.400 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.27906E-02 ppm1 8.321 ppm2 3.142 CV 1 ASSI { 1106} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.300 1.000 peak 1106 spectrum 1 weight 0.11000E+01 volume 0.11585E-02 ppm1 8.323 ppm2 4.793 CV 1 ASSI { 1111} (( segid " " and resid 24 and name HN )) (( segid " " and resid 3 and name HA )) 5.000 3.100 1.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.61034E-03 ppm1 8.592 ppm2 4.789 CV 1 ASSI { 1112} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) 3.200 1.300 1.300 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.12512E-02 ppm1 8.590 ppm2 4.373 CV 1 ASSI { 1113} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.32564E-02 ppm1 8.589 ppm2 4.239 CV 1 ASSI { 1114} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.600 0.900 0.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.24213E-02 ppm1 8.589 ppm2 4.008 CV 1 OR { 1114} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 1115} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB )) 3.200 3.200 2.800 peak 1115 spectrum 1 weight 0.11000E+01 volume 0.23978E-02 ppm1 8.588 ppm2 3.827 CV 1 ASSI { 1116} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.300 1.400 1.400 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.12238E-02 ppm1 8.587 ppm2 3.641 CV 1 ASSI { 1118} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG2%) 3.900 1.900 1.900 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.24638E-02 ppm1 8.588 ppm2 1.280 CV 1 ASSI { 1121} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD2%) 5.000 3.200 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.26619E-03 ppm1 8.595 ppm2 0.690 CV 1 ASSI { 1120} (( segid " " and resid 24 and name HN )) ( segid " " and resid 140 and name HD1%) 5.000 3.200 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.26619E-03 ppm1 8.595 ppm2 0.690 CV 1 ASSI { 3043} (( segid " " and resid 24 and name HN )) ( segid " " and resid 140 and name HD2%) 4.500 2.500 1.500 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.26619E-03 ppm1 8.595 ppm2 0.938 CV 1 OR { 3043} (( segid " " and resid 24 and name HN )) ( segid " " and resid 140 and name HD1%) ASSI { 1122} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 3.000 1.200 1.200 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.27603E-02 ppm1 7.272 ppm2 4.301 CV 1 OR { 1122} (( segid " " and resid 47 and name HN )) (( segid " " and resid 58 and name HA )) OR { 1122} (( segid " " and resid 47 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 1126} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.400 0.700 0.700 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.24487E-02 ppm1 8.589 ppm2 7.917 CV 1 ASSI { 1127} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HN )) 4.200 2.200 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.76834E-03 ppm1 8.584 ppm2 7.584 CV 1 ASSI { 1130} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 2.600 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.22204E-02 ppm1 7.273 ppm2 8.288 CV 1 ASSI { 1131} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.800 1.000 1.000 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.12596E-02 ppm1 8.588 ppm2 8.864 CV 1 ASSI { 1136} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB )) 2.600 0.900 0.900 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.27430E-02 ppm1 8.730 ppm2 1.994 CV 1 ASSI { 1137} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB1 )) 4.000 2.000 2.000 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.81490E-03 ppm1 8.734 ppm2 1.587 CV 1 ASSI { 1138} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.000 1.100 1.100 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.10979E-02 ppm1 8.730 ppm2 1.436 CV 1 ASSI { 1148} (( segid " " and resid 90 and name HN )) (( segid " " and resid 72 and name HG2 )) 4.500 2.200 1.500 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.10512E-02 ppm1 9.234 ppm2 1.690 CV 1 OR { 1148} (( segid " " and resid 90 and name HN )) (( segid " " and resid 101 and name HD% )) ASSI { 1149} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG1 )) 4.600 2.600 1.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.10606E-02 ppm1 9.233 ppm2 2.293 CV 1 ASSI { 1150} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.500 1.500 1.200 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.13656E-02 ppm1 9.232 ppm2 2.208 CV 1 OR { 1150} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG2 )) ASSI { 1151} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB2 )) 2.400 0.700 0.700 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.34305E-02 ppm1 9.231 ppm2 2.127 CV 1 ASSI { 1152} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 3.000 1.100 1.100 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.12471E-02 ppm1 9.232 ppm2 5.155 CV 1 ASSI { 1153} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.500 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.26666E-02 ppm1 9.229 ppm2 4.225 CV 1 ASSI { 1160} (( segid " " and resid 74 and name HN )) ( segid " " and resid 58 and name HB% ) 4.400 2.500 1.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.73377E-03 ppm1 6.930 ppm2 0.278 CV 1 ASSI { 1164} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 4.000 2.200 2.000 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.91083E-03 ppm1 8.461 ppm2 7.273 CV 1 ASSI { 1166} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.900 1.000 1.000 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.19027E-02 ppm1 8.863 ppm2 8.196 CV 1 ASSI { 1167} (( segid " " and resid 135 and name HN )) (( segid " " and resid 121 and name HN )) 3.000 1.100 1.100 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.96304E-03 ppm1 9.092 ppm2 8.741 CV 1 ASSI { 1168} (( segid " " and resid 135 and name HN )) (( segid " " and resid 123 and name HN )) 4.300 2.300 1.700 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.68870E-03 ppm1 9.080 ppm2 8.548 CV 1 ASSI { 1170} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HA )) 4.100 2.100 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.59866E-03 ppm1 8.154 ppm2 4.732 CV 1 ASSI { 1172} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HA )) 5.200 3.400 0.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.29255E-03 ppm1 8.157 ppm2 4.448 CV 1 ASSI { 1174} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 2.400 0.600 0.500 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.74590E-02 ppm1 8.462 ppm2 4.224 CV 1 ASSI { 1175} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.700 0.900 0.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.21314E-02 ppm1 8.462 ppm2 3.790 CV 1 ASSI { 1176} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HA )) 4.100 2.100 1.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.62890E-03 ppm1 8.869 ppm2 5.040 CV 1 ASSI { 1178} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.11494E-02 ppm1 8.866 ppm2 4.361 CV 1 ASSI { 1180} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HB1 )) 4.200 4.200 1.800 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.14872E-02 ppm1 8.865 ppm2 4.066 CV 1 OR { 1180} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 1181} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB )) 4.600 2.700 1.400 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.39920E-03 ppm1 8.869 ppm2 3.739 CV 1 ASSI { 1182} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.21128E-02 ppm1 8.867 ppm2 3.640 CV 1 ASSI { 1183} (( segid " " and resid 135 and name HN )) ( segid " " and resid 134 and name HD% ) 4.200 2.200 1.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.83947E-03 ppm1 9.080 ppm2 6.621 CV 1 ASSI { 1187} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG )) 5.200 3.400 0.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.25463E-03 ppm1 8.864 ppm2 0.943 CV 1 ASSI { 1188} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG2 )) 2.500 0.800 0.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.43465E-02 ppm1 8.462 ppm2 2.140 CV 1 OR { 1188} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG1 )) ASSI { 1189} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) 3.000 1.100 1.100 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.35362E-02 ppm1 8.462 ppm2 1.948 CV 1 ASSI { 1190} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.800 1.000 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.42518E-02 ppm1 8.462 ppm2 1.802 CV 1 ASSI { 1192} (( segid " " and resid 48 and name HN )) (( segid " " and resid 73 and name HB1 )) 5.100 3.200 0.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.51818E-03 ppm1 8.459 ppm2 1.496 CV 1 ASSI { 1196} (( segid " " and resid 48 and name HN )) ( segid " " and resid 73 and name HD2%) 3.300 1.400 1.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.17775E-02 ppm1 8.461 ppm2 0.840 CV 1 ASSI { 1197} (( segid " " and resid 48 and name HN )) ( segid " " and resid 73 and name HD1%) 3.200 1.200 1.200 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.28596E-02 ppm1 8.462 ppm2 0.642 CV 1 ASSI { 1200} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.500 0.800 0.800 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.46827E-02 ppm1 8.167 ppm2 4.016 CV 1 ASSI { 1204} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 2.200 0.600 0.600 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.60471E-02 ppm1 8.167 ppm2 2.259 CV 1 ASSI { 1206} (( segid " " and resid 128 and name HN )) ( segid " " and resid 96 and name HG2%) 4.700 2.800 1.300 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.83613E-03 ppm1 8.172 ppm2 1.260 CV 1 ASSI { 1207} (( segid " " and resid 128 and name HN )) ( segid " " and resid 129 and name HG2%) 4.700 2.800 1.300 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.83613E-03 ppm1 8.172 ppm2 1.087 CV 1 ASSI { 1208} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HG2%) 4.100 2.100 1.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.85347E-03 ppm1 7.757 ppm2 1.085 CV 1 ASSI { 1210} (( segid " " and resid 135 and name HN )) (( segid " " and resid 121 and name HB )) 3.200 1.300 1.300 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.92243E-03 ppm1 9.094 ppm2 1.992 CV 1 ASSI { 1214} (( segid " " and resid 135 and name HN )) ( segid " " and resid 121 and name HG2%) 3.600 1.600 1.600 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 9.090 ppm2 0.896 CV 1 OR { 1214} (( segid " " and resid 135 and name HN )) ( segid " " and resid 121 and name HG1%) ASSI { 1215} (( segid " " and resid 135 and name HN )) ( segid " " and resid 123 and name HD1%) 3.100 1.200 1.200 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.23041E-02 ppm1 9.092 ppm2 0.692 CV 1 OR { 1215} (( segid " " and resid 135 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 1216} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 3.000 1.100 1.100 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.92030E-03 ppm1 9.093 ppm2 5.386 CV 1 ASSI { 1218} (( segid " " and resid 135 and name HN )) (( segid " " and resid 120 and name HA )) 4.500 2.500 1.500 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.46268E-03 ppm1 9.093 ppm2 4.232 CV 1 ASSI { 1223} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.11000E+01 volume 0.30100E-02 ppm1 8.167 ppm2 6.670 CV 1 ASSI { 1224} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 2.800 1.000 0.700 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.23694E-02 ppm1 7.760 ppm2 6.669 CV 1 ASSI { 1226} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HN )) 3.500 1.500 1.500 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.11557E-02 ppm1 7.757 ppm2 8.171 CV 1 ASSI { 1227} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 2.500 0.800 0.800 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.22601E-02 ppm1 8.165 ppm2 8.857 CV 1 ASSI { 1228} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HN )) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.61578E-03 ppm1 9.091 ppm2 8.835 CV 1 ASSI { 1230} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 3.100 1.200 1.200 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.85149E-03 ppm1 7.666 ppm2 5.162 CV 1 ASSI { 1231} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 2.600 0.800 0.800 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.13568E-02 ppm1 7.683 ppm2 4.757 CV 1 ASSI { 1232} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.500 1.500 1.500 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.16018E-02 ppm1 7.673 ppm2 3.715 CV 1 ASSI { 1233} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.900 1.000 1.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.14414E-02 ppm1 7.674 ppm2 3.608 CV 1 ASSI { 1234} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB1 )) 4.200 2.300 1.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.44351E-03 ppm1 7.684 ppm2 3.100 CV 1 ASSI { 1235} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB2 )) 4.600 2.700 1.400 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.68527E-03 ppm1 7.677 ppm2 2.140 CV 1 ASSI { 1237} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.10568E-02 ppm1 7.748 ppm2 3.289 CV 1 ASSI { 1238} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.300 0.600 0.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.23122E-02 ppm1 7.750 ppm2 1.975 CV 1 OR { 1238} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 1241} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG1 )) 3.100 1.200 1.200 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.13557E-02 ppm1 7.757 ppm2 1.374 CV 1 ASSI { 1243} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HD2%) 4.400 2.500 1.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.98428E-03 ppm1 7.740 ppm2 0.834 CV 1 ASSI { 1249} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.700 1.700 1.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.69151E-03 ppm1 7.119 ppm2 1.436 CV 1 OR { 1249} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) ASSI { 1255} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 3.100 1.200 1.200 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.13309E-02 ppm1 7.118 ppm2 4.250 CV 1 ASSI { 1262} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 2.600 0.900 0.900 peak 1262 spectrum 1 weight 0.11000E+01 volume 0.37786E-02 ppm1 8.180 ppm2 8.670 CV 1 ASSI { 1263} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 3.600 1.600 1.300 peak 1263 spectrum 1 weight 0.11000E+01 volume 0.20603E-02 ppm1 8.182 ppm2 4.911 CV 1 ASSI { 1264} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.600 2.600 3.400 peak 1264 spectrum 1 weight 0.11000E+01 volume 0.24850E-02 ppm1 8.181 ppm2 4.638 CV 1 ASSI { 1265} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 3.200 1.300 1.300 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.36413E-02 ppm1 8.179 ppm2 4.350 CV 1 OR { 1265} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 1267} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 3.400 1.400 1.400 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.90585E-03 ppm1 7.533 ppm2 4.873 CV 1 ASSI { 1269} (( segid " " and resid 142 and name HN )) (( segid " " and resid 110 and name HA )) 3.600 1.600 1.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.75705E-03 ppm1 7.530 ppm2 4.438 CV 1 ASSI { 1272} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.000 1.100 1.100 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.29560E-02 ppm1 7.530 ppm2 3.357 CV 1 ASSI { 1274} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.100 1.200 1.200 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.22365E-02 ppm1 8.184 ppm2 2.844 CV 1 OR { 1274} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) ASSI { 1275} (( segid " " and resid 142 and name HN )) ( segid " " and resid 141 and name HB% ) 2.800 1.000 0.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.28211E-02 ppm1 7.530 ppm2 1.167 CV 1 ASSI { 1282} (( segid " " and resid 44 and name HN )) ( segid " " and resid 49 and name HB% ) 3.400 1.500 1.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 8.116 ppm2 1.041 CV 1 ASSI { 1289} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 2.600 0.800 0.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.23059E-02 ppm1 8.119 ppm2 5.868 CV 1 ASSI { 1290} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 1290 spectrum 1 weight 0.11000E+01 volume 0.83004E-03 ppm1 8.116 ppm2 5.200 CV 1 ASSI { 1292} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) 2.900 1.000 0.700 peak 1292 spectrum 1 weight 0.11000E+01 volume 0.31648E-02 ppm1 8.239 ppm2 8.460 CV 1 ASSI { 1293} (( segid " " and resid 64 and name HN )) (( segid " " and resid 66 and name HN )) 5.200 3.300 0.800 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.56721E-03 ppm1 8.985 ppm2 7.586 CV 1 ASSI { 1295} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB )) 4.400 2.400 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.19906E-03 ppm1 6.670 ppm2 4.328 CV 1 ASSI { 1296} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 4.000 2.200 2.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.46957E-03 ppm1 6.671 ppm2 4.015 CV 1 ASSI { 1309} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 0.600 0.600 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.30275E-02 ppm1 8.990 ppm2 4.835 CV 1 ASSI { 1312} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HD1 )) 4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.17542E-02 ppm1 8.987 ppm2 4.025 CV 1 ASSI { 1313} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HD2 )) 4.500 2.500 1.500 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 8.989 ppm2 3.725 CV 1 ASSI { 1314} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA2 )) 2.100 0.500 0.500 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.57812E-02 ppm1 8.990 ppm2 3.569 CV 1 ASSI { 1315} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HA )) 4.000 2.200 1.500 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 8.243 ppm2 4.499 CV 1 ASSI { 1317} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.800 1.800 1.600 peak 1317 spectrum 1 weight 0.11000E+01 volume 0.11799E-02 ppm1 8.243 ppm2 4.368 CV 1 ASSI { 1318} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.700 0.900 0.900 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.35119E-02 ppm1 8.238 ppm2 4.270 CV 1 ASSI { 1321} (( segid " " and resid 44 and name HN )) (( segid " " and resid 58 and name HA )) 3.600 1.600 1.600 peak 1321 spectrum 1 weight 0.11000E+01 volume 0.82369E-03 ppm1 8.110 ppm2 4.273 CV 1 ASSI { 1322} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 4.800 2.800 1.200 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.61015E-03 ppm1 8.991 ppm2 2.791 CV 1 ASSI { 1323} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 4.500 2.500 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.47767E-03 ppm1 8.984 ppm2 2.072 CV 1 ASSI { 1324} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.900 3.000 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.69098E-03 ppm1 8.983 ppm2 2.002 CV 1 ASSI { 1326} (( segid " " and resid 64 and name HN )) (( segid " " and resid 39 and name HG2 )) 5.200 3.400 0.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.27333E-03 ppm1 8.986 ppm2 1.283 CV 1 OR { 1326} (( segid " " and resid 64 and name HN )) (( segid " " and resid 39 and name HG1 )) ASSI { 1328} (( segid " " and resid 64 and name HN )) ( segid " " and resid 62 and name HG2%) 3.500 1.500 1.200 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 8.991 ppm2 1.183 CV 1 ASSI { 1329} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.400 0.700 0.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.56728E-02 ppm1 8.236 ppm2 1.887 CV 1 OR { 1329} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 1331} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG2 )) 2.900 1.000 1.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.39866E-02 ppm1 8.238 ppm2 1.491 CV 1 OR { 1331} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HG1 )) ASSI { 1333} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HB1 )) 5.100 3.300 0.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.41498E-03 ppm1 8.234 ppm2 2.706 CV 1 ASSI { 1336} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HG2 )) 4.200 2.200 1.800 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.65895E-03 ppm1 8.243 ppm2 2.440 CV 1 ASSI { 1337} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.400 1.400 1.400 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.57691E-03 ppm1 8.120 ppm2 3.051 CV 1 ASSI { 1340} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 16 and name HN )) 3.400 1.400 1.400 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.85766E-03 ppm1 9.456 ppm2 6.756 CV 1 ASSI { 1343} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 4.500 2.500 1.500 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.10889E-02 ppm1 8.388 ppm2 7.591 CV 1 ASSI { 1344} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HD22)) 1.700 0.300 0.500 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.43347E-02 ppm1 7.314 ppm2 9.458 CV 1 ASSI { 1346} (( segid " " and resid 15 and name HN )) ( segid " " and resid 16 and name HG2%) 5.200 3.400 0.800 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.13519E-02 ppm1 7.758 ppm2 1.114 CV 1 ASSI { 1348} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HB1 )) 2.800 1.000 1.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.64743E-03 ppm1 7.317 ppm2 3.197 CV 1 ASSI { 1349} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HB2 )) 3.200 1.300 1.300 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.92905E-03 ppm1 7.310 ppm2 2.316 CV 1 ASSI { 1351} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HA )) 5.100 3.200 0.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.59421E-03 ppm1 7.763 ppm2 4.521 CV 1 ASSI { 1352} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 3.500 1.500 1.500 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.11851E-02 ppm1 7.755 ppm2 4.391 CV 1 ASSI { 1353} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 1353 spectrum 1 weight 0.11000E+01 volume 0.72293E-02 ppm1 7.761 ppm2 4.284 CV 1 ASSI { 1354} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD1 )) 2.900 1.100 1.100 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.19964E-02 ppm1 7.764 ppm2 3.952 CV 1 OR { 1354} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HD2 )) ASSI { 1356} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG2 )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.29531E-02 ppm1 7.760 ppm2 2.162 CV 1 OR { 1356} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG1 )) ASSI { 1357} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 3.400 1.400 1.400 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.16405E-02 ppm1 7.763 ppm2 2.046 CV 1 ASSI { 1359} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HB1 )) 4.000 2.000 2.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.77394E-03 ppm1 9.456 ppm2 3.192 CV 1 ASSI { 1362} (( segid " " and resid 13 and name HD22)) ( segid " " and resid 16 and name HG2%) 4.700 2.800 1.300 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 9.454 ppm2 1.112 CV 1 ASSI { 1363} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.600 1.600 1.600 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.35586E-02 ppm1 8.386 ppm2 1.851 CV 1 OR { 1363} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 1366} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 1.000 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.22883E-02 ppm1 8.501 ppm2 3.868 CV 1 ASSI { 1368} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.200 3.200 2.800 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.11860E-02 ppm1 8.498 ppm2 4.508 CV 1 ASSI { 1369} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.100 0.500 0.500 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.65423E-02 ppm1 8.501 ppm2 4.415 CV 1 ASSI { 1371} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.000 1.200 1.200 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.12835E-02 ppm1 8.729 ppm2 5.500 CV 1 ASSI { 1372} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 0.800 0.800 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.25129E-02 ppm1 8.729 ppm2 4.765 CV 1 ASSI { 1375} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.200 2.200 1.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.11474E-02 ppm1 8.733 ppm2 2.706 CV 1 ASSI { 1376} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HG2%) 3.100 1.200 1.200 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.17828E-02 ppm1 8.732 ppm2 1.161 CV 1 ASSI { 1377} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HG2%) 5.000 3.200 1.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.91962E-03 ppm1 8.726 ppm2 0.970 CV 1 ASSI { 1378} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 3.300 1.500 1.100 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 8.052 ppm2 4.040 CV 1 ASSI { 1379} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB1 )) 4.300 2.300 1.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.35138E-03 ppm1 8.050 ppm2 3.786 CV 1 OR { 1379} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1386} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 4.200 2.400 1.800 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.84001E-03 ppm1 8.054 ppm2 8.908 CV 1 ASSI { 1387} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 2.800 0.900 0.900 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.31816E-02 ppm1 8.057 ppm2 8.735 CV 1 ASSI { 1391} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HA )) 4.200 2.200 1.800 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.84206E-03 ppm1 7.061 ppm2 4.365 CV 1 OR { 1391} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HA )) ASSI { 1393} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB )) 3.300 1.500 1.100 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.26322E-02 ppm1 7.070 ppm2 4.100 CV 1 ASSI { 1394} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.500 1.300 peak 1394 spectrum 1 weight 0.11000E+01 volume 0.20851E-02 ppm1 7.069 ppm2 3.988 CV 1 ASSI { 1395} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HB1 )) 4.500 2.500 1.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.63373E-03 ppm1 7.063 ppm2 3.265 CV 1 ASSI { 1396} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) 3.100 1.200 1.200 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.18753E-02 ppm1 7.073 ppm2 2.698 CV 1 ASSI { 1397} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.18263E-02 ppm1 7.068 ppm2 2.576 CV 1 ASSI { 1399} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.900 1.900 1.900 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.50262E-03 ppm1 7.061 ppm2 2.248 CV 1 ASSI { 1400} (( segid " " and resid 97 and name HN )) ( segid " " and resid 95 and name HB1 ) 4.500 2.500 1.500 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.64636E-03 ppm1 7.066 ppm2 2.118 CV 1 ASSI { 1401} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HB2 )) 4.500 2.500 1.500 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.59737E-03 ppm1 7.065 ppm2 2.021 CV 1 ASSI { 1402} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HB1 )) 4.500 2.600 1.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.61099E-03 ppm1 7.070 ppm2 1.753 CV 1 OR { 1402} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HB2 )) OR { 1402} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HG )) ASSI { 1403} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HG2%) 4.100 2.100 1.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 7.067 ppm2 1.253 CV 1 ASSI { 1404} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HD% ) 3.800 1.800 1.800 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.11811E-02 ppm1 8.727 ppm2 7.296 CV 1 ASSI { 1405} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 4.400 2.300 1.800 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.64370E-03 ppm1 8.724 ppm2 9.347 CV 1 ASSI { 1406} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HD1%)) 4.400 2.300 1.800 peak 1406 spectrum 1 weight 0.11000E+01 volume 0.64370E-03 ppm1 8.724 ppm2 9.347 CV 1 ASSI { 1407} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG1 )) 2.900 1.100 1.100 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 8.390 ppm2 1.347 CV 1 OR { 1407} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG2 )) ASSI { 1411} (( segid " " and resid 39 and name HN )) ( segid " " and resid 34 and name HG2%) 3.500 1.500 1.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.18407E-02 ppm1 8.398 ppm2 1.223 CV 1 ASSI { 1415} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.500 0.800 0.800 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.10470E-02 ppm1 8.401 ppm2 2.860 CV 1 ASSI { 1417} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.600 0.800 0.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.25732E-02 ppm1 8.399 ppm2 4.382 CV 1 ASSI { 1421} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 3.300 1.400 1.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.56983E-03 ppm1 9.081 ppm2 5.250 CV 1 ASSI { 1425} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HD% ) 3.300 1.400 1.400 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.14383E-02 ppm1 9.081 ppm2 6.614 CV 1 ASSI { 1426} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 1426 spectrum 1 weight 0.11000E+01 volume 0.17863E-02 ppm1 9.081 ppm2 5.042 CV 1 ASSI { 1427} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HD2 )) 4.300 2.300 1.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.11625E-02 ppm1 8.297 ppm2 1.694 CV 1 OR { 1427} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HD1 )) ASSI { 1429} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) 4.500 2.500 1.500 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.49064E-03 ppm1 9.079 ppm2 2.279 CV 1 ASSI { 1430} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.60897E-03 ppm1 9.079 ppm2 1.869 CV 1 ASSI { 1431} (( segid " " and resid 134 and name HN )) ( segid " " and resid 123 and name HD1%) 4.300 2.300 1.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.56314E-03 ppm1 9.082 ppm2 0.688 CV 1 OR { 1431} (( segid " " and resid 134 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 1432} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB1 )) 4.000 2.000 2.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.55541E-03 ppm1 9.079 ppm2 2.719 CV 1 ASSI { 1441} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.21153E-02 ppm1 8.294 ppm2 2.615 CV 1 ASSI { 1442} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 8.296 ppm2 4.727 CV 1 ASSI { 1443} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HA )) 4.000 2.000 2.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 8.297 ppm2 4.571 CV 1 ASSI { 1444} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA2 )) 3.300 1.500 1.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.11545E-02 ppm1 8.739 ppm2 3.465 CV 1 ASSI { 1446} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.400 1.500 1.500 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.81620E-03 ppm1 8.750 ppm2 2.374 CV 1 ASSI { 1448} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 2.600 0.800 0.800 peak 1448 spectrum 1 weight 0.11000E+01 volume 0.24290E-02 ppm1 8.295 ppm2 9.182 CV 1 ASSI { 1452} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.200 0.600 0.600 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.44659E-02 ppm1 7.915 ppm2 1.265 CV 1 ASSI { 1453} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 1453 spectrum 1 weight 0.11000E+01 volume 0.25475E-02 ppm1 7.915 ppm2 1.629 CV 1 ASSI { 1456} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HG1 )) 4.200 2.200 1.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.59657E-03 ppm1 7.907 ppm2 1.957 CV 1 ASSI { 1459} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB2 )) 3.600 1.700 1.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.21226E-02 ppm1 8.666 ppm2 2.733 CV 1 ASSI { 1460} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.900 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.33005E-02 ppm1 8.666 ppm2 4.910 CV 1 ASSI { 1464} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA2 )) 4.500 2.500 1.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.11435E-02 ppm1 8.668 ppm2 4.024 CV 1 ASSI { 1463} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA1 )) 4.100 2.100 1.900 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.11435E-02 ppm1 8.668 ppm2 4.024 CV 1 ASSI { 1466} (( segid " " and resid 138 and name HN )) (( segid " " and resid 111 and name HD2 )) 4.300 2.300 1.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.50490E-03 ppm1 9.103 ppm2 1.670 CV 1 OR { 1466} (( segid " " and resid 138 and name HN )) (( segid " " and resid 111 and name HD1 )) ASSI { 1467} (( segid " " and resid 138 and name HN )) ( segid " " and resid 114 and name HB% ) 4.300 2.300 1.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.74971E-03 ppm1 9.095 ppm2 1.553 CV 1 ASSI { 1468} (( segid " " and resid 138 and name HN )) ( segid " " and resid 141 and name HB% ) 3.000 1.100 1.100 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 9.096 ppm2 1.182 CV 1 ASSI { 1471} (( segid " " and resid 138 and name HN )) ( segid " " and resid 109 and name HG1%) 2.900 1.000 1.000 peak 1471 spectrum 1 weight 0.11000E+01 volume 0.69033E-03 ppm1 9.099 ppm2 0.578 CV 1 ASSI { 1472} (( segid " " and resid 138 and name HN )) (( segid " " and resid 141 and name HN )) 4.300 2.400 1.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.52692E-03 ppm1 9.100 ppm2 7.090 CV 1 ASSI { 1475} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 3.100 1.200 1.200 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.81319E-03 ppm1 9.102 ppm2 5.201 CV 1 ASSI { 1476} (( segid " " and resid 138 and name HN )) (( segid " " and resid 110 and name HA )) 3.600 1.600 1.600 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.61563E-03 ppm1 9.094 ppm2 4.441 CV 1 ASSI { 1478} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB1 )) 4.300 2.300 1.700 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.63465E-03 ppm1 9.103 ppm2 3.347 CV 1 ASSI { 1480} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.14929E-02 ppm1 9.370 ppm2 1.819 CV 1 ASSI { 1481} (( segid " " and resid 138 and name HN )) (( segid " " and resid 109 and name HN )) 3.200 1.300 1.300 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.88139E-03 ppm1 9.090 ppm2 8.343 CV 1 ASSI { 1483} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.600 0.600 0.600 peak 1483 spectrum 1 weight 0.11000E+01 volume 0.39429E-02 ppm1 7.916 ppm2 7.583 CV 1 ASSI { 1491} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG1 )) 4.200 2.300 1.800 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.68839E-03 ppm1 8.842 ppm2 1.619 CV 1 ASSI { 1492} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.800 1.800 1.800 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.10627E-02 ppm1 8.846 ppm2 1.537 CV 1 ASSI { 1495} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.900 1.000 1.000 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.18618E-02 ppm1 7.879 ppm2 3.944 CV 1 ASSI { 1496} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA2 )) 3.700 1.700 1.700 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.79459E-03 ppm1 7.881 ppm2 3.517 CV 1 ASSI { 1498} (( segid " " and resid 18 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.700 1.700 1.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.75336E-03 ppm1 7.877 ppm2 3.180 CV 1 ASSI { 1499} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.700 1.700 1.700 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.70406E-03 ppm1 8.168 ppm2 3.146 CV 1 ASSI { 1500} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 3.200 1.300 1.300 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.19461E-02 ppm1 7.875 ppm2 2.970 CV 1 ASSI { 1501} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.700 0.900 0.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.17500E-02 ppm1 7.878 ppm2 2.518 CV 1 ASSI { 1502} (( segid " " and resid 18 and name HN )) (( segid " " and resid 13 and name HB2 )) 5.200 3.400 0.800 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.52373E-03 ppm1 7.875 ppm2 2.335 CV 1 ASSI { 1503} (( segid " " and resid 18 and name HN )) ( segid " " and resid 16 and name HG2%) 3.700 1.700 1.700 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.73605E-03 ppm1 7.879 ppm2 1.118 CV 1 ASSI { 1504} (( segid " " and resid 18 and name HN )) ( segid " " and resid 12 and name HG2%) 3.900 1.900 1.900 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.91152E-03 ppm1 7.878 ppm2 0.865 CV 1 ASSI { 1509} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA2 )) 3.600 1.600 1.600 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.14311E-02 ppm1 9.200 ppm2 3.580 CV 1 ASSI { 1511} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.500 1.500 1.500 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.64613E-03 ppm1 9.198 ppm2 2.695 CV 1 ASSI { 1512} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD% ) 3.500 1.500 1.500 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.23410E-02 ppm1 9.199 ppm2 7.297 CV 1 ASSI { 1513} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.300 0.600 0.600 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.38345E-02 ppm1 8.845 ppm2 5.362 CV 1 ASSI { 1517} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.900 1.000 1.000 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.34188E-02 ppm1 8.393 ppm2 2.748 CV 1 ASSI { 1519} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG1 )) 4.000 2.000 2.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 8.393 ppm2 2.376 CV 1 ASSI { 1520} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.800 1.800 1.600 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.26315E-02 ppm1 8.393 ppm2 2.125 CV 1 ASSI { 1521} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.300 1.500 1.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.18309E-02 ppm1 8.396 ppm2 2.040 CV 1 ASSI { 1523} (( segid " " and resid 11 and name HN )) ( segid " " and resid 77 and name HD2%) 4.000 2.200 1.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.16458E-02 ppm1 8.844 ppm2 0.517 CV 1 OR { 1523} (( segid " " and resid 11 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 1525} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.11962E-02 ppm1 7.981 ppm2 5.509 CV 1 ASSI { 1527} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.400 1.500 1.500 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.22156E-02 ppm1 8.571 ppm2 1.886 CV 1 OR { 1527} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 1528} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.900 1.900 1.900 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 8.566 ppm2 1.711 CV 1 OR { 1528} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HG )) ASSI { 1529} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG2 )) 4.000 2.200 2.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 8.566 ppm2 1.490 CV 1 OR { 1529} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG1 )) ASSI { 1530} (( segid " " and resid 7 and name HN )) ( segid " " and resid 5 and name HG1%) 4.000 2.200 2.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.91802E-03 ppm1 8.390 ppm2 0.933 CV 1 OR { 1530} (( segid " " and resid 7 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 1531} (( segid " " and resid 53 and name HN )) ( segid " " and resid 57 and name HB% ) 4.700 2.800 1.300 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 8.165 ppm2 1.196 CV 1 OR { 1531} (( segid " " and resid 53 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 1535} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB1 )) 3.800 1.800 1.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 8.212 ppm2 1.783 CV 1 ASSI { 1536} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.400 1.400 1.400 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.26554E-02 ppm1 8.215 ppm2 1.676 CV 1 ASSI { 1537} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.400 1.400 1.400 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.21427E-02 ppm1 8.163 ppm2 2.771 CV 1 ASSI { 1538} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB )) 4.000 2.000 2.000 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.16804E-02 ppm1 7.985 ppm2 2.252 CV 1 ASSI { 1540} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HG2%) 3.900 1.900 1.900 peak 1540 spectrum 1 weight 0.11000E+01 volume 0.26706E-02 ppm1 7.983 ppm2 0.863 CV 1 ASSI { 1544} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA1 )) 3.400 1.400 1.400 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.11518E-02 ppm1 7.873 ppm2 4.188 CV 1 ASSI { 1547} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 8.164 ppm2 3.986 CV 1 ASSI { 1549} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 3.300 1.500 1.100 peak 1549 spectrum 1 weight 0.11000E+01 volume 0.24551E-02 ppm1 8.566 ppm2 4.273 CV 1 ASSI { 1554} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG1 )) 4.000 2.200 1.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.49296E-03 ppm1 9.373 ppm2 2.078 CV 1 OR { 1554} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG2 )) ASSI { 1555} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB )) 3.500 1.600 1.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.58668E-03 ppm1 8.851 ppm2 2.245 CV 1 ASSI { 1557} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 4.200 2.200 1.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.10985E-02 ppm1 8.842 ppm2 1.793 CV 1 ASSI { 1560} (( segid " " and resid 11 and name HN )) (( segid " " and resid 20 and name HD% )) 4.500 2.500 1.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.65773E-03 ppm1 8.845 ppm2 7.353 CV 1 ASSI { 1561} (( segid " " and resid 11 and name HN )) (( segid " " and resid 20 and name HN )) 2.900 1.100 1.100 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.12459E-02 ppm1 8.840 ppm2 9.301 CV 1 ASSI { 1562} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD% ) 4.800 2.900 1.200 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.94685E-03 ppm1 8.530 ppm2 7.422 CV 1 ASSI { 1563} (( segid " " and resid 125 and name HN )) ( segid " " and resid 134 and name HE% ) 4.000 2.000 2.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.10917E-02 ppm1 8.529 ppm2 7.120 CV 1 ASSI { 1565} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 4.700 2.800 1.300 peak 1565 spectrum 1 weight 0.11000E+01 volume 0.42540E-03 ppm1 8.533 ppm2 6.546 CV 1 ASSI { 1566} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.300 1.400 1.400 peak 1566 spectrum 1 weight 0.11000E+01 volume 0.74944E-03 ppm1 8.534 ppm2 5.660 CV 1 ASSI { 1568} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.100 1.200 1.200 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.55789E-02 ppm1 8.531 ppm2 3.680 CV 1 OR { 1568} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) ASSI { 1569} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB1 )) 3.000 1.100 1.100 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.12897E-02 ppm1 8.531 ppm2 3.395 CV 1 ASSI { 1570} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.000 1.100 1.100 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.19249E-02 ppm1 8.531 ppm2 3.035 CV 1 ASSI { 1572} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.14822E-02 ppm1 8.276 ppm2 4.794 CV 1 ASSI { 1577} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) 3.800 1.800 2.000 peak 1577 spectrum 1 weight 0.11000E+01 volume 0.18155E-02 ppm1 8.273 ppm2 4.308 CV 1 ASSI { 1578} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.900 1.900 1.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.82597E-03 ppm1 8.279 ppm2 3.959 CV 1 OR { 1578} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 1579} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.000 1.100 1.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.21603E-02 ppm1 8.274 ppm2 3.541 CV 1 ASSI { 1588} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HN )) 3.000 1.200 1.500 peak 1588 spectrum 1 weight 0.11000E+01 volume 0.48619E-02 ppm1 8.173 ppm2 8.394 CV 1 ASSI { 1589} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 3.100 1.200 1.200 peak 1589 spectrum 1 weight 0.11000E+01 volume 0.14567E-02 ppm1 8.174 ppm2 9.632 CV 1 ASSI { 1590} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 1590 spectrum 1 weight 0.11000E+01 volume 0.28434E-02 ppm1 8.175 ppm2 4.809 CV 1 ASSI { 1591} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.800 1.000 0.700 peak 1591 spectrum 1 weight 0.11000E+01 volume 0.68858E-02 ppm1 8.091 ppm2 4.795 CV 1 ASSI { 1593} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 2.500 0.800 0.800 peak 1593 spectrum 1 weight 0.11000E+01 volume 0.19025E-02 ppm1 8.499 ppm2 5.203 CV 1 ASSI { 1594} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.800 1.000 1.000 peak 1594 spectrum 1 weight 0.11000E+01 volume 0.31902E-02 ppm1 8.460 ppm2 4.682 CV 1 ASSI { 1595} (( segid " " and resid 45 and name HN )) (( segid " " and resid 26 and name HA )) 3.000 1.200 1.200 peak 1595 spectrum 1 weight 0.11000E+01 volume 0.14861E-02 ppm1 8.497 ppm2 4.307 CV 1 ASSI { 1598} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.500 1.500 1.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 8.176 ppm2 2.935 CV 1 ASSI { 1599} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.300 1.500 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.24210E-02 ppm1 8.178 ppm2 2.736 CV 1 ASSI { 1600} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.600 0.800 0.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.77995E-02 ppm1 8.175 ppm2 2.635 CV 1 OR { 1600} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 1602} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.000 1.100 1.100 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.15657E-02 ppm1 8.091 ppm2 2.844 CV 1 ASSI { 1603} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB )) 2.700 2.700 3.300 peak 1603 spectrum 1 weight 0.11000E+01 volume 0.71776E-02 ppm1 8.091 ppm2 2.102 CV 1 ASSI { 1604} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HG1 )) 4.600 2.600 1.400 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.77934E-03 ppm1 8.174 ppm2 2.376 CV 1 ASSI { 1605} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG1 )) 4.800 2.900 1.200 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.52190E-03 ppm1 8.096 ppm2 2.377 CV 1 ASSI { 1607} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) 3.600 1.600 1.600 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.24706E-02 ppm1 8.458 ppm2 2.105 CV 1 ASSI { 1608} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.400 1.400 1.400 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.16952E-02 ppm1 8.457 ppm2 2.020 CV 1 ASSI { 1611} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB )) 2.600 0.800 0.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 8.487 ppm2 1.566 CV 1 ASSI { 1617} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HG2%) 2.700 0.900 0.900 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.27922E-02 ppm1 8.494 ppm2 0.649 CV 1 ASSI { 1627} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 3.100 1.200 1.200 peak 1627 spectrum 1 weight 0.11000E+01 volume 0.13935E-02 ppm1 8.218 ppm2 2.320 CV 1 ASSI { 1628} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB )) 3.600 1.600 1.600 peak 1628 spectrum 1 weight 0.11000E+01 volume 0.20731E-02 ppm1 8.222 ppm2 3.712 CV 1 ASSI { 1629} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) 2.700 0.900 0.900 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.13723E-02 ppm1 8.217 ppm2 3.199 CV 1 ASSI { 1632} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.300 0.600 0.600 peak 1632 spectrum 1 weight 0.11000E+01 volume 0.45100E-02 ppm1 8.218 ppm2 5.500 CV 1 ASSI { 1633} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB )) 2.400 0.700 0.700 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.57329E-02 ppm1 7.525 ppm2 1.997 CV 1 ASSI { 1636} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.700 1.700 1.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 7.523 ppm2 2.386 CV 1 OR { 1636} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HG1 )) OR { 1636} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI { 1638} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.800 0.900 0.900 peak 1638 spectrum 1 weight 0.11000E+01 volume 0.28500E-02 ppm1 7.524 ppm2 4.436 CV 1 ASSI { 1639} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA )) 4.300 2.400 1.700 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.63426E-03 ppm1 7.522 ppm2 4.333 CV 1 ASSI { 1641} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 3.000 1.100 1.100 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.24520E-02 ppm1 7.522 ppm2 3.580 CV 1 ASSI { 1644} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB1 )) 2.500 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.64663E-02 ppm1 8.375 ppm2 1.706 CV 1 OR { 1644} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) ASSI { 1645} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG2 )) 3.000 1.100 1.100 peak 1645 spectrum 1 weight 0.11000E+01 volume 0.31066E-02 ppm1 8.377 ppm2 1.582 CV 1 OR { 1645} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HG1 )) ASSI { 1648} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HG1 )) 3.800 1.800 1.400 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.24341E-02 ppm1 8.211 ppm2 1.704 CV 1 ASSI { 3044} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB1 )) 3.800 1.800 1.500 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.24341E-02 ppm1 8.211 ppm2 1.704 CV 1 OR { 3044} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB2 )) ASSI { 1650} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB1 )) 3.800 1.800 1.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.19718E-02 ppm1 8.374 ppm2 2.257 CV 1 ASSI { 1652} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.57265E-02 ppm1 8.572 ppm2 2.728 CV 1 ASSI { 1653} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA1 )) 2.500 0.700 0.600 peak 1653 spectrum 1 weight 0.11000E+01 volume 0.74769E-02 ppm1 8.573 ppm2 4.207 CV 1 ASSI { 1654} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA2 )) 2.800 1.000 1.000 peak 1654 spectrum 1 weight 0.11000E+01 volume 0.68832E-02 ppm1 8.572 ppm2 4.028 CV 1 ASSI { 1658} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.49904E-02 ppm1 8.248 ppm2 4.368 CV 1 ASSI { 1661} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.600 0.800 0.800 peak 1661 spectrum 1 weight 0.11000E+01 volume 0.37466E-02 ppm1 7.522 ppm2 6.827 CV 1 ASSI { 1662} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HN )) 4.300 2.300 1.700 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.67477E-03 ppm1 7.527 ppm2 9.081 CV 1 ASSI { 1664} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 4.100 2.100 1.900 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.12518E-02 ppm1 7.522 ppm2 8.305 CV 1 ASSI { 1666} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) 3.800 1.800 1.800 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.18959E-02 ppm1 8.214 ppm2 8.580 CV 1 ASSI { 1667} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.900 1.900 1.900 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.10736E-02 ppm1 8.570 ppm2 8.192 CV 1 ASSI { 1668} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HD% ) 4.700 2.800 1.300 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.11945E-02 ppm1 8.573 ppm2 7.446 CV 1 ASSI { 1672} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.12348E-02 ppm1 8.574 ppm2 5.040 CV 1 ASSI { 1673} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.300 1.300 1.300 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.19997E-02 ppm1 8.578 ppm2 2.180 CV 1 ASSI { 1674} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG2 )) 3.100 1.200 1.200 peak 1674 spectrum 1 weight 0.11000E+01 volume 0.36033E-02 ppm1 8.209 ppm2 2.233 CV 1 OR { 1674} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG1 )) ASSI { 1676} (( segid " " and resid 109 and name HN )) ( segid " " and resid 109 and name HG2%) 3.300 1.300 1.300 peak 1676 spectrum 1 weight 0.11000E+01 volume 0.17355E-02 ppm1 8.348 ppm2 0.870 CV 1 ASSI { 1678} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.100 3.100 2.900 peak 1678 spectrum 1 weight 0.11000E+01 volume 0.38231E-02 ppm1 8.211 ppm2 2.003 CV 1 ASSI { 1680} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 3.300 1.500 3.000 peak 1680 spectrum 1 weight 0.11000E+01 volume 0.60399E-02 ppm1 8.208 ppm2 3.641 CV 1 ASSI { 1681} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HB1 )) 4.200 2.400 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.51395E-03 ppm1 8.208 ppm2 3.366 CV 1 ASSI { 1682} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 2.600 0.800 0.800 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.49691E-02 ppm1 8.207 ppm2 4.267 CV 1 ASSI { 1684} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.500 1.600 1.600 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.16072E-02 ppm1 8.572 ppm2 2.993 CV 1 ASSI { 1685} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) 2.900 1.100 1.100 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.33626E-02 ppm1 8.572 ppm2 2.914 CV 1 ASSI { 1686} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.300 2.300 1.700 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 8.571 ppm2 2.648 CV 1 ASSI { 1687} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HD2 )) 2.800 1.000 0.800 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 7.586 ppm2 3.730 CV 1 ASSI { 1690} (( segid " " and resid 4 and name HN )) (( segid " " and resid 27 and name HA )) 4.100 2.100 1.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.56606E-03 ppm1 8.637 ppm2 4.877 CV 1 ASSI { 1691} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.600 0.800 0.800 peak 1691 spectrum 1 weight 0.11000E+01 volume 0.37608E-02 ppm1 8.641 ppm2 4.789 CV 1 ASSI { 1695} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB1 )) 2.400 2.400 3.600 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.17518E-02 ppm1 8.643 ppm2 3.874 CV 1 ASSI { 1696} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.900 1.000 1.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.24320E-02 ppm1 8.643 ppm2 2.844 CV 1 ASSI { 1697} (( segid " " and resid 4 and name HN )) ( segid " " and resid 5 and name HG2%) 4.400 2.400 1.600 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.81030E-03 ppm1 8.644 ppm2 0.928 CV 1 OR { 1697} (( segid " " and resid 4 and name HN )) ( segid " " and resid 5 and name HG1%) ASSI { 1699} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 3.700 1.700 1.700 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.24150E-02 ppm1 8.644 ppm2 8.094 CV 1 ASSI { 1703} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG1 )) 3.300 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.21391E-02 ppm1 7.583 ppm2 2.068 CV 1 ASSI { 2077} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 65 and name HA )) 4.100 2.100 1.900 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 2.070 ppm2 4.552 CV 1 ASSI { 2078} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HA )) 4.700 2.700 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.97709E-03 ppm1 1.877 ppm2 4.551 CV 1 ASSI { 2853} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 3.800 1.800 1.500 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.21391E-02 ppm1 7.583 ppm2 2.068 CV 1 ASSI { 1709} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG1 )) 3.500 1.500 1.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.45188E-02 ppm1 7.581 ppm2 1.384 CV 1 OR { 1709} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG2 )) ASSI { 1711} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HB% ) 2.300 0.600 0.600 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.77572E-02 ppm1 7.566 ppm2 1.200 CV 1 ASSI { 1713} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.500 0.800 0.800 peak 1713 spectrum 1 weight 0.11000E+01 volume 0.44659E-02 ppm1 7.588 ppm2 4.530 CV 1 ASSI { 1714} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.400 0.700 0.700 peak 1714 spectrum 1 weight 0.11000E+01 volume 0.36757E-02 ppm1 7.579 ppm2 4.326 CV 1 ASSI { 1715} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.400 0.700 0.700 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.45462E-02 ppm1 7.570 ppm2 4.019 CV 1 ASSI { 1716} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA2 )) 3.600 1.600 1.600 peak 1716 spectrum 1 weight 0.11000E+01 volume 0.27713E-02 ppm1 7.567 ppm2 3.626 CV 1 ASSI { 1718} (( segid " " and resid 35 and name HN )) ( segid " " and resid 41 and name HD1%) 4.500 2.500 1.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.95891E-03 ppm1 8.230 ppm2 0.616 CV 1 ASSI { 1719} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB )) 3.400 1.500 1.500 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.28433E-02 ppm1 8.225 ppm2 4.091 CV 1 ASSI { 1722} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.59273E-03 ppm1 8.224 ppm2 3.041 CV 1 ASSI { 1726} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 2.000 0.500 0.500 peak 1726 spectrum 1 weight 0.11000E+01 volume 0.50057E-02 ppm1 8.222 ppm2 5.486 CV 1 ASSI { 1727} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 3.000 1.200 1.200 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.87869E-03 ppm1 8.221 ppm2 4.911 CV 1 ASSI { 1729} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB )) 4.200 2.200 1.800 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.62495E-03 ppm1 9.349 ppm2 2.194 CV 1 ASSI { 1731} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.500 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.90558E-03 ppm1 8.723 ppm2 2.100 CV 1 ASSI { 1734} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG1 )) 2.500 0.800 0.800 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.14193E-02 ppm1 9.126 ppm2 2.298 CV 1 ASSI { 1735} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.600 1.600 1.600 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 9.120 ppm2 2.216 CV 1 OR { 1735} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG2 )) ASSI { 1737} (( segid " " and resid 33 and name HN )) (( segid " " and resid 41 and name HB )) 3.300 1.400 1.400 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.63948E-03 ppm1 9.341 ppm2 1.865 CV 1 ASSI { 1741} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HG2%) 3.700 1.700 1.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.32771E-02 ppm1 9.346 ppm2 1.165 CV 1 OR { 1741} (( segid " " and resid 33 and name HN )) ( segid " " and resid 41 and name HG1%) ASSI { 1742} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 3.100 1.200 1.200 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.31738E-02 ppm1 9.346 ppm2 0.963 CV 1 ASSI { 1744} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 2.200 0.400 0.500 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.31516E-02 ppm1 9.124 ppm2 5.383 CV 1 ASSI { 1745} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 3.100 1.200 1.200 peak 1745 spectrum 1 weight 0.11000E+01 volume 0.90258E-03 ppm1 9.124 ppm2 5.155 CV 1 ASSI { 1747} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 1747 spectrum 1 weight 0.11000E+01 volume 0.45758E-03 ppm1 9.347 ppm2 4.880 CV 1 ASSI { 1749} (( segid " " and resid 89 and name HN )) ( segid " " and resid 88 and name HD% ) 4.300 2.300 1.700 peak 1749 spectrum 1 weight 0.11000E+01 volume 0.11482E-02 ppm1 9.121 ppm2 7.122 CV 1 ASSI { 1754} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.54986E-03 ppm1 8.718 ppm2 4.819 CV 1 ASSI { 1757} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.300 1.500 1.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.79995E-03 ppm1 8.731 ppm2 4.036 CV 1 ASSI { 1758} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.700 2.800 1.300 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.66804E-03 ppm1 8.726 ppm2 3.789 CV 1 ASSI { 1759} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.900 1.100 1.100 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.15607E-02 ppm1 8.729 ppm2 1.664 CV 1 ASSI { 1761} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 3.500 3.500 2.500 peak 1761 spectrum 1 weight 0.11000E+01 volume 0.15553E-02 ppm1 7.728 ppm2 4.723 CV 1 ASSI { 1764} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HA1 )) 4.000 2.200 1.000 peak 1764 spectrum 1 weight 0.11000E+01 volume 0.90360E-03 ppm1 7.718 ppm2 4.224 CV 1 ASSI { 1766} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HA2 )) 4.200 2.200 1.000 peak 1766 spectrum 1 weight 0.11000E+01 volume 0.45150E-03 ppm1 7.719 ppm2 4.005 CV 1 ASSI { 1767} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB1 )) 3.400 3.400 2.600 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.14725E-02 ppm1 7.721 ppm2 2.931 CV 1 ASSI { 1768} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.000 3.000 3.000 peak 1768 spectrum 1 weight 0.11000E+01 volume 0.10152E-02 ppm1 7.723 ppm2 2.609 CV 1 ASSI { 1769} (( segid " " and resid 114 and name HN )) (( segid " " and resid 111 and name HB1 )) 4.300 2.300 1.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.61011E-03 ppm1 7.710 ppm2 1.827 CV 1 OR { 1769} (( segid " " and resid 114 and name HN )) (( segid " " and resid 111 and name HB2 )) ASSI { 1772} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HB% ) 2.200 0.600 0.600 peak 1772 spectrum 1 weight 0.11000E+01 volume 0.10154E-01 ppm1 7.720 ppm2 1.567 CV 1 ASSI { 1774} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG2 )) 3.900 1.900 1.900 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.39768E-02 ppm1 8.582 ppm2 2.241 CV 1 OR { 1774} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG1 )) ASSI { 1775} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.000 1.100 1.100 peak 1775 spectrum 1 weight 0.11000E+01 volume 0.11224E-01 ppm1 8.582 ppm2 1.983 CV 1 OR { 1775} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) ASSI { 1781} (( segid " " and resid 145 and name HN )) ( segid " " and resid 146 and name HG1%) 4.700 2.700 1.300 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.90566E-03 ppm1 8.578 ppm2 0.945 CV 1 OR { 1781} (( segid " " and resid 145 and name HN )) ( segid " " and resid 146 and name HG2%) ASSI { 1785} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) 2.400 0.700 0.700 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.39463E-02 ppm1 8.164 ppm2 1.748 CV 1 OR { 1785} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 1786} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.20534E-02 ppm1 8.164 ppm2 1.647 CV 1 OR { 1786} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 1790} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 1790 spectrum 1 weight 0.11000E+01 volume 0.11538E-02 ppm1 9.061 ppm2 5.635 CV 1 ASSI { 1793} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.800 1.000 0.800 peak 1793 spectrum 1 weight 0.11000E+01 volume 0.22828E-01 ppm1 8.582 ppm2 4.268 CV 1 ASSI { 1797} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.11759E-02 ppm1 8.164 ppm2 4.618 CV 1 ASSI { 1799} (( segid " " and resid 145 and name HN )) (( segid " " and resid 147 and name HD2 )) 4.400 2.400 1.600 peak 1799 spectrum 1 weight 0.11000E+01 volume 0.46356E-03 ppm1 8.582 ppm2 3.643 CV 1 ASSI { 1802} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 3.300 1.500 1.100 peak 1802 spectrum 1 weight 0.11000E+01 volume 0.21663E-02 ppm1 7.720 ppm2 8.584 CV 1 ASSI { 1803} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HN )) 2.400 0.700 0.700 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.36478E-02 ppm1 7.718 ppm2 8.300 CV 1 ASSI { 1804} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 3.300 1.400 1.400 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.44016E-02 ppm1 8.581 ppm2 8.193 CV 1 ASSI { 1806} (( segid " " and resid 40 and name HN )) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.700 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.61399E-03 ppm1 8.162 ppm2 9.671 CV 1 OR { 1806} (( segid " " and resid 40 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 1809} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 1.800 0.400 0.400 peak 1809 spectrum 1 weight 0.11000E+01 volume 0.20153E-01 ppm1 8.189 ppm2 4.276 CV 1 ASSI { 1810} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.300 0.700 0.700 peak 1810 spectrum 1 weight 0.11000E+01 volume 0.67512E-02 ppm1 8.188 ppm2 4.380 CV 1 ASSI { 1814} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.100 2.100 1.900 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.11987E-02 ppm1 8.345 ppm2 3.097 CV 1 ASSI { 1815} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.300 1.500 1.300 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.21264E-02 ppm1 8.336 ppm2 2.756 CV 1 ASSI { 1816} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HG1%) 2.600 0.800 0.800 peak 1816 spectrum 1 weight 0.11000E+01 volume 0.98949E-02 ppm1 8.190 ppm2 0.939 CV 1 OR { 1816} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HG2%) ASSI { 1817} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) 4.000 2.000 2.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 8.191 ppm2 2.241 CV 1 OR { 1817} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 1818} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB )) 2.200 0.600 0.600 peak 1818 spectrum 1 weight 0.11000E+01 volume 0.78782E-02 ppm1 8.189 ppm2 2.054 CV 1 ASSI { 1819} (( segid " " and resid 94 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.500 1.500 1.500 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.11559E-02 ppm1 8.470 ppm2 2.569 CV 1 ASSI { 1826} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.800 1.000 peak 1826 spectrum 1 weight 0.11000E+01 volume 0.55671E-02 ppm1 8.342 ppm2 4.387 CV 1 ASSI { 1829} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.200 0.600 0.600 peak 1829 spectrum 1 weight 0.11000E+01 volume 0.52590E-02 ppm1 9.183 ppm2 4.574 CV 1 ASSI { 1831} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB1 )) 2.900 1.000 1.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.21440E-02 ppm1 9.184 ppm2 3.989 CV 1 ASSI { 1832} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.900 1.000 1.000 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.25627E-02 ppm1 9.183 ppm2 3.894 CV 1 ASSI { 1833} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.300 0.700 0.700 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.28657E-02 ppm1 9.422 ppm2 5.080 CV 1 ASSI { 1834} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HD% ) 3.200 1.300 1.300 peak 1834 spectrum 1 weight 0.11000E+01 volume 0.16023E-02 ppm1 9.419 ppm2 6.747 CV 1 ASSI { 1835} (( segid " " and resid 106 and name HN )) (( segid " " and resid 86 and name HN )) 3.100 1.200 1.200 peak 1835 spectrum 1 weight 0.11000E+01 volume 0.98287E-03 ppm1 9.423 ppm2 8.500 CV 1 ASSI { 1839} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) 4.500 2.600 1.500 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 9.181 ppm2 1.833 CV 1 OR { 1839} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB2 )) ASSI { 1840} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HD1 )) 4.500 2.600 1.500 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.14017E-02 ppm1 9.184 ppm2 1.712 CV 1 OR { 1840} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HD2 )) ASSI { 1842} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG1 )) 3.600 1.600 1.600 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.84100E-03 ppm1 9.185 ppm2 1.444 CV 1 OR { 1842} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 1846} (( segid " " and resid 84 and name HN )) (( segid " " and resid 108 and name HN )) 3.400 1.500 1.500 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.89626E-03 ppm1 8.303 ppm2 9.666 CV 1 ASSI { 1847} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HG1%) 3.300 1.400 1.400 peak 1847 spectrum 1 weight 0.11000E+01 volume 0.61719E-02 ppm1 8.485 ppm2 0.930 CV 1 OR { 1847} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 1848} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG1%) 2.800 1.000 0.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.60372E-02 ppm1 8.304 ppm2 0.864 CV 1 OR { 1848} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HG2%) ASSI { 1850} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HG2%) 3.000 1.200 1.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.47166E-02 ppm1 9.153 ppm2 0.871 CV 1 ASSI { 1855} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HG1 )) 2.800 1.000 1.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.44796E-02 ppm1 8.977 ppm2 1.667 CV 1 OR { 1855} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB1 )) OR { 1855} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) ASSI { 1856} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.700 0.900 0.900 peak 1856 spectrum 1 weight 0.11000E+01 volume 0.33580E-02 ppm1 9.152 ppm2 2.771 CV 1 ASSI { 1860} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB )) 3.800 1.800 1.800 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.14918E-02 ppm1 8.304 ppm2 1.992 CV 1 ASSI { 1861} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.100 1.200 1.200 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.11014E-02 ppm1 8.300 ppm2 1.741 CV 1 ASSI { 1862} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.500 0.800 0.800 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 8.301 ppm2 1.339 CV 1 OR { 1862} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG )) ASSI { 1864} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 1.800 0.400 0.400 peak 1864 spectrum 1 weight 0.11000E+01 volume 0.17260E-01 ppm1 8.485 ppm2 4.168 CV 1 ASSI { 1865} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.400 0.700 0.700 peak 1865 spectrum 1 weight 0.11000E+01 volume 0.56047E-02 ppm1 8.486 ppm2 4.340 CV 1 ASSI { 1870} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.700 0.900 0.900 peak 1870 spectrum 1 weight 0.11000E+01 volume 0.25698E-02 ppm1 9.156 ppm2 4.440 CV 1 ASSI { 1871} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.300 0.600 0.600 peak 1871 spectrum 1 weight 0.11000E+01 volume 0.60079E-02 ppm1 9.154 ppm2 4.360 CV 1 ASSI { 1872} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.800 1.000 0.800 peak 1872 spectrum 1 weight 0.11000E+01 volume 0.29149E-02 ppm1 8.977 ppm2 4.871 CV 1 ASSI { 1874} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.600 1.600 1.600 peak 1874 spectrum 1 weight 0.11000E+01 volume 0.19933E-02 ppm1 8.978 ppm2 3.362 CV 1 ASSI { 1875} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.200 1.300 1.300 peak 1875 spectrum 1 weight 0.11000E+01 volume 0.27052E-02 ppm1 9.153 ppm2 3.170 CV 1 ASSI { 1876} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.000 1.200 1.100 peak 1876 spectrum 1 weight 0.11000E+01 volume 0.23355E-02 ppm1 8.977 ppm2 3.139 CV 1 ASSI { 1879} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HN )) 3.300 1.500 1.000 peak 1879 spectrum 1 weight 0.11000E+01 volume 0.20574E-02 ppm1 8.980 ppm2 8.209 CV 1 ASSI { 1880} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 4.100 2.100 1.900 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.11449E-02 ppm1 8.978 ppm2 7.531 CV 1 ASSI { 1882} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.100 0.500 0.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.43632E-02 ppm1 8.690 ppm2 3.787 CV 1 ASSI { 1883} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG1 )) 4.400 2.500 1.600 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.13634E-02 ppm1 8.687 ppm2 2.138 CV 1 OR { 1883} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG2 )) ASSI { 1884} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) 3.500 1.500 1.500 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.17841E-02 ppm1 8.690 ppm2 1.945 CV 1 ASSI { 1885} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.600 1.600 1.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 8.684 ppm2 1.789 CV 1 ASSI { 1887} (( segid " " and resid 49 and name HN )) ( segid " " and resid 58 and name HB% ) 3.700 1.700 1.700 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 8.690 ppm2 0.270 CV 1 ASSI { 1889} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HD1%) 3.000 1.200 1.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.23767E-02 ppm1 8.447 ppm2 0.876 CV 1 ASSI { 1890} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 2.800 1.000 3.200 peak 1890 spectrum 1 weight 0.11000E+01 volume 0.84898E-02 ppm1 8.449 ppm2 4.490 CV 1 ASSI { 1891} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.36734E-02 ppm1 8.449 ppm2 4.367 CV 1 ASSI { 1892} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 3.500 1.600 1.600 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.14873E-02 ppm1 8.445 ppm2 2.709 CV 1 ASSI { 1894} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB1 )) 2.800 1.000 1.000 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.71273E-02 ppm1 8.449 ppm2 1.759 CV 1 ASSI { 1895} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.58489E-02 ppm1 8.455 ppm2 1.697 CV 1 ASSI { 1897} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 3.300 1.500 1.000 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.15489E-02 ppm1 8.447 ppm2 7.072 CV 1 ASSI { 1902} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.500 1.500 1.500 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.54305E-03 ppm1 8.226 ppm2 4.888 CV 1 ASSI { 1903} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.400 0.600 0.600 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.50623E-02 ppm1 8.228 ppm2 4.309 CV 1 ASSI { 1904} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.500 0.800 0.800 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.26912E-02 ppm1 8.877 ppm2 4.769 CV 1 ASSI { 1908} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 2.700 0.900 0.900 peak 1908 spectrum 1 weight 0.11000E+01 volume 0.26101E-02 ppm1 8.879 ppm2 3.057 CV 1 ASSI { 1909} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.500 1.600 1.600 peak 1909 spectrum 1 weight 0.11000E+01 volume 0.20661E-02 ppm1 8.878 ppm2 2.573 CV 1 ASSI { 1910} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 4.600 2.600 1.400 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.71836E-03 ppm1 8.886 ppm2 8.417 CV 1 ASSI { 1911} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HD% ) 2.900 1.000 1.000 peak 1911 spectrum 1 weight 0.11000E+01 volume 0.14818E-02 ppm1 8.878 ppm2 6.810 CV 1 ASSI { 1912} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 1912 spectrum 1 weight 0.11000E+01 volume 0.77850E-03 ppm1 8.876 ppm2 4.899 CV 1 ASSI { 1913} (( segid " " and resid 79 and name HN )) ( segid " " and resid 11 and name HG1%) 3.800 1.800 1.600 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 8.877 ppm2 0.696 CV 1 ASSI { 1915} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.300 1.500 1.200 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.43122E-02 ppm1 8.880 ppm2 1.176 CV 1 ASSI { 1916} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG1 )) 4.200 2.200 1.800 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.94769E-03 ppm1 8.230 ppm2 1.975 CV 1 ASSI { 1922} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 2.500 0.800 0.800 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.47816E-02 ppm1 8.464 ppm2 1.687 CV 1 OR { 1922} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HD1 )) OR { 1922} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HD2 )) ASSI { 1923} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG2 )) 3.600 1.600 1.600 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 8.466 ppm2 1.437 CV 1 OR { 1923} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG1 )) ASSI { 1925} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) 3.800 1.800 1.200 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.37237E-02 ppm1 8.460 ppm2 1.033 CV 1 ASSI { 1926} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.800 1.000 1.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.27239E-02 ppm1 8.461 ppm2 4.482 CV 1 ASSI { 1929} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.000 0.500 0.500 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.11877E-01 ppm1 9.084 ppm2 4.226 CV 1 ASSI { 1931} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.700 1.700 1.700 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.28334E-02 ppm1 9.084 ppm2 2.833 CV 1 ASSI { 1933} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG2 )) 3.500 1.600 1.600 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.18168E-02 ppm1 9.086 ppm2 2.091 CV 1 OR { 1933} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG1 )) ASSI { 1934} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 3.800 1.800 1.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.20441E-02 ppm1 9.081 ppm2 1.823 CV 1 ASSI { 1935} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.800 1.900 1.900 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.18112E-02 ppm1 9.082 ppm2 1.731 CV 1 ASSI { 1937} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 1937 spectrum 1 weight 0.11000E+01 volume 0.24769E-02 ppm1 8.833 ppm2 1.968 CV 1 OR { 1937} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) ASSI { 1939} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG2 )) 2.300 0.700 0.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.10694E-02 ppm1 8.833 ppm2 1.667 CV 1 ASSI { 1940} (( segid " " and resid 72 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.300 1.500 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 8.829 ppm2 3.086 CV 1 ASSI { 1942} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 2.300 0.500 0.600 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.46074E-02 ppm1 8.466 ppm2 4.252 CV 1 ASSI { 1943} (( segid " " and resid 22 and name HN )) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.000 peak 1943 spectrum 1 weight 0.11000E+01 volume 0.96614E-03 ppm1 8.190 ppm2 5.357 CV 1 ASSI { 1944} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.500 0.800 0.800 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.21886E-02 ppm1 8.194 ppm2 5.037 CV 1 ASSI { 1946} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 4.900 3.000 1.100 peak 1946 spectrum 1 weight 0.11000E+01 volume 0.62342E-03 ppm1 8.190 ppm2 2.923 CV 1 ASSI { 1948} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG )) 3.200 1.300 1.300 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.11355E-02 ppm1 8.194 ppm2 0.928 CV 1 ASSI { 1950} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB1 )) 3.800 3.800 2.200 peak 1950 spectrum 1 weight 0.11000E+01 volume 0.88033E-03 ppm1 9.668 ppm2 2.981 CV 1 ASSI { 1951} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.500 1.500 1.200 peak 1951 spectrum 1 weight 0.11000E+01 volume 0.14372E-02 ppm1 9.624 ppm2 2.642 CV 1 OR { 1951} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 1958} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.800 1.000 0.800 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.32643E-02 ppm1 9.086 ppm2 6.825 CV 1 ASSI { 1960} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HD% ) 3.100 1.200 1.200 peak 1960 spectrum 1 weight 0.11000E+01 volume 0.17772E-02 ppm1 9.669 ppm2 6.733 CV 1 ASSI { 1961} (( segid " " and resid 108 and name HN )) (( segid " " and resid 85 and name HA )) 3.800 3.800 2.200 peak 1961 spectrum 1 weight 0.11000E+01 volume 0.43484E-03 ppm1 9.685 ppm2 5.619 CV 1 ASSI { 1968} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HN )) 4.000 2.200 1.500 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 8.463 ppm2 8.219 CV 1 ASSI { 1974} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG1 )) 3.700 1.700 1.700 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.69862E-03 ppm1 8.833 ppm2 1.401 CV 1 ASSI { 1979} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB1 )) 2.800 1.000 1.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.34349E-02 ppm1 8.461 ppm2 1.771 CV 1 ASSI { 1986} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB )) 3.100 1.200 1.200 peak 1986 spectrum 1 weight 0.11000E+01 volume 0.26702E-02 ppm1 8.768 ppm2 1.824 CV 1 ASSI { 2000} (( segid " " and resid 86 and name HN )) ( segid " " and resid 108 and name HE% ) 4.200 2.200 1.800 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.56192E-03 ppm1 8.505 ppm2 6.468 CV 1 ASSI { 2004} (( segid " " and resid 122 and name HN )) ( segid " " and resid 121 and name HG2%) 2.900 1.000 1.000 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.72369E-02 ppm1 8.796 ppm2 0.898 CV 1 OR { 2004} (( segid " " and resid 122 and name HN )) ( segid " " and resid 121 and name HG1%) ASSI { 2007} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB1 )) 2.800 0.900 0.900 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.20473E-02 ppm1 8.792 ppm2 2.959 CV 1 ASSI { 2008} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.700 1.800 1.800 peak 2008 spectrum 1 weight 0.11000E+01 volume 0.16694E-02 ppm1 8.795 ppm2 2.678 CV 1 ASSI { 2009} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB )) 4.100 2.100 1.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 8.789 ppm2 1.991 CV 1 ASSI { 2010} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 3.100 1.200 1.200 peak 2010 spectrum 1 weight 0.11000E+01 volume 0.18983E-02 ppm1 9.199 ppm2 4.888 CV 1 ASSI { 2012} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) 3.300 1.400 1.400 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 9.192 ppm2 2.305 CV 1 OR { 2012} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG1 )) ASSI { 2013} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.700 1.700 1.700 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.11186E-02 ppm1 9.199 ppm2 1.887 CV 1 ASSI { 2014} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG1 )) 3.900 1.900 1.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.54883E-03 ppm1 9.184 ppm2 1.613 CV 1 ASSI { 2015} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.400 0.700 0.700 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.75766E-03 ppm1 9.198 ppm2 1.369 CV 1 ASSI { 2017} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 3.800 1.800 1.800 peak 2017 spectrum 1 weight 0.11000E+01 volume 0.90950E-03 ppm1 9.344 ppm2 3.058 CV 1 ASSI { 2018} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD% ) 2.800 1.000 1.000 peak 2018 spectrum 1 weight 0.11000E+01 volume 0.10895E-02 ppm1 8.797 ppm2 6.629 CV 1 ASSI { 2019} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 4.000 2.200 1.800 peak 2019 spectrum 1 weight 0.11000E+01 volume 0.16897E-02 ppm1 9.196 ppm2 8.220 CV 1 ASSI { 2022} (( segid " " and resid 20 and name HN )) (( segid " " and resid 13 and name HN )) 4.400 2.400 1.600 peak 2022 spectrum 1 weight 0.11000E+01 volume 0.49916E-03 ppm1 9.297 ppm2 8.215 CV 1 ASSI { 2023} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 5.000 3.100 1.000 peak 2023 spectrum 1 weight 0.11000E+01 volume 0.45580E-03 ppm1 9.302 ppm2 7.820 CV 1 ASSI { 2024} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD% ) 2.700 0.900 0.900 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.20485E-02 ppm1 9.302 ppm2 7.445 CV 1 ASSI { 2025} (( segid " " and resid 20 and name HN )) (( segid " " and resid 12 and name HA )) 2.900 1.000 1.000 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.13261E-02 ppm1 9.309 ppm2 5.506 CV 1 ASSI { 2027} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.100 0.600 0.600 peak 2027 spectrum 1 weight 0.11000E+01 volume 0.36929E-02 ppm1 9.300 ppm2 4.258 CV 1 ASSI { 2030} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 3.000 1.100 1.100 peak 2030 spectrum 1 weight 0.11000E+01 volume 0.94579E-03 ppm1 9.653 ppm2 4.040 CV 1 ASSI { 2036} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.600 1.700 1.700 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.13582E-02 ppm1 9.304 ppm2 3.005 CV 1 ASSI { 2037} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.500 0.800 0.800 peak 2037 spectrum 1 weight 0.11000E+01 volume 0.11201E-02 ppm1 9.298 ppm2 2.649 CV 1 ASSI { 2039} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG )) 4.200 2.200 1.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.71346E-03 ppm1 9.303 ppm2 1.482 CV 1 OR { 2039} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) ASSI { 2054} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.800 1.800 1.800 peak 2054 spectrum 1 weight 0.11000E+01 volume 0.13922E-02 ppm1 8.470 ppm2 3.095 CV 1 ASSI { 2055} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.000 1.100 1.100 peak 2055 spectrum 1 weight 0.11000E+01 volume 0.11587E-02 ppm1 8.466 ppm2 2.591 CV 1 ASSI { 2058} (( segid " " and resid 42 and name HN )) (( segid " " and resid 60 and name HN )) 3.600 1.600 1.600 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.48733E-03 ppm1 8.889 ppm2 9.764 CV 1 ASSI { 2059} (( segid " " and resid 42 and name HN )) ( segid " " and resid 59 and name HG1%) 4.400 2.400 1.600 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.65990E-03 ppm1 8.878 ppm2 0.952 CV 1 ASSI { 2061} (( segid " " and resid 42 and name HN )) (( segid " " and resid 35 and name HB1 )) 5.400 3.600 0.600 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.61981E-03 ppm1 8.877 ppm2 2.175 CV 1 ASSI { 2062} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG2 )) 4.000 2.000 2.000 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.71441E-03 ppm1 8.883 ppm2 2.082 CV 1 OR { 2062} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG1 )) ASSI { 2064} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 3.300 1.400 1.400 peak 2064 spectrum 1 weight 0.11000E+01 volume 0.66960E-03 ppm1 8.888 ppm2 5.458 CV 1 ASSI { 2066} (( segid " " and resid 63 and name HN )) ( segid " " and resid 67 and name HG2%) 4.800 2.800 1.200 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.10124E-02 ppm1 8.543 ppm2 1.082 CV 1 ASSI { 2068} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.000 1.200 0.700 peak 2068 spectrum 1 weight 0.11000E+01 volume 0.25747E-02 ppm1 8.543 ppm2 4.929 CV 1 ASSI { 2071} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB )) 4.500 2.500 1.500 peak 2071 spectrum 1 weight 0.11000E+01 volume 0.70809E-03 ppm1 8.545 ppm2 4.046 CV 1 ASSI { 2072} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.300 1.300 1.300 peak 2072 spectrum 1 weight 0.11000E+01 volume 0.13463E-02 ppm1 8.545 ppm2 2.790 CV 1 ASSI { 2073} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.200 1.300 1.300 peak 2073 spectrum 1 weight 0.11000E+01 volume 0.11096E-02 ppm1 8.541 ppm2 2.006 CV 1 ASSI { 2090} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 2090 spectrum 1 weight 0.11000E+01 volume 0.95427E-03 ppm1 8.882 ppm2 4.702 CV 1 ASSI { 2093} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 2093 spectrum 1 weight 0.11000E+01 volume 0.10803E-02 ppm1 8.542 ppm2 8.995 CV 1 ASSI { 2094} (( segid " " and resid 41 and name HN )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 2094 spectrum 1 weight 0.11000E+01 volume 0.87154E-03 ppm1 9.092 ppm2 9.345 CV 1 ASSI { 2095} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 4.300 2.300 1.700 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.55728E-03 ppm1 9.097 ppm2 8.172 CV 1 ASSI { 2097} (( segid " " and resid 136 and name HN )) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 2097 spectrum 1 weight 0.11000E+01 volume 0.17634E-02 ppm1 8.826 ppm2 5.487 CV 1 ASSI { 2098} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.100 0.500 0.500 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.46078E-02 ppm1 8.828 ppm2 5.384 CV 1 ASSI { 2099} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD% ) 3.600 1.600 1.600 peak 2099 spectrum 1 weight 0.11000E+01 volume 0.10558E-02 ppm1 8.872 ppm2 7.418 CV 1 ASSI { 2100} (( segid " " and resid 126 and name HN )) (( segid " " and resid 131 and name HN )) 3.600 1.600 1.600 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.66104E-03 ppm1 8.870 ppm2 7.038 CV 1 ASSI { 2101} (( segid " " and resid 126 and name HN )) ( segid " " and resid 133 and name HD% ) 4.700 2.700 1.300 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.54400E-03 ppm1 8.884 ppm2 6.942 CV 1 ASSI { 2103} (( segid " " and resid 126 and name HN )) ( segid " " and resid 133 and name HE% ) 4.600 2.700 1.400 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.75663E-03 ppm1 8.870 ppm2 6.247 CV 1 ASSI { 2104} (( segid " " and resid 136 and name HN )) (( segid " " and resid 109 and name HN )) 3.700 1.700 1.700 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.11486E-02 ppm1 8.826 ppm2 8.351 CV 1 ASSI { 2110} (( segid " " and resid 58 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 2110 spectrum 1 weight 0.11000E+01 volume 0.92110E-03 ppm1 9.640 ppm2 4.508 CV 1 ASSI { 2111} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB1 )) 2.900 1.000 1.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.22989E-02 ppm1 8.869 ppm2 2.707 CV 1 OR { 2111} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) ASSI { 2112} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) 3.200 1.300 1.300 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.87241E-03 ppm1 8.825 ppm2 2.499 CV 1 ASSI { 2115} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.600 0.800 0.800 peak 2115 spectrum 1 weight 0.11000E+01 volume 0.33083E-02 ppm1 8.413 ppm2 4.347 CV 1 ASSI { 2116} (( segid " " and resid 80 and name HN )) (( segid " " and resid 84 and name HA )) 3.500 1.500 1.500 peak 2116 spectrum 1 weight 0.11000E+01 volume 0.12364E-02 ppm1 8.414 ppm2 5.247 CV 1 ASSI { 2117} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.300 0.700 0.700 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.35357E-02 ppm1 8.413 ppm2 4.914 CV 1 ASSI { 2118} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.11000E+01 volume 0.15732E-02 ppm1 8.827 ppm2 3.663 CV 1 ASSI { 2119} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB1 )) 3.100 1.200 1.200 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.79623E-03 ppm1 8.837 ppm2 3.197 CV 1 ASSI { 2120} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.600 0.900 0.900 peak 2120 spectrum 1 weight 0.11000E+01 volume 0.17903E-02 ppm1 9.000 ppm2 4.823 CV 1 ASSI { 2121} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 8.998 ppm2 4.503 CV 1 ASSI { 2124} (( segid " " and resid 80 and name HN )) (( segid " " and resid 83 and name HN )) 2.700 0.900 0.900 peak 2124 spectrum 1 weight 0.11000E+01 volume 0.27643E-02 ppm1 8.412 ppm2 7.526 CV 1 ASSI { 2125} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 3.700 1.700 1.700 peak 2125 spectrum 1 weight 0.11000E+01 volume 0.19144E-02 ppm1 8.410 ppm2 9.078 CV 1 ASSI { 2127} (( segid " " and resid 68 and name HN )) (( segid " " and resid 61 and name HN )) 3.300 1.400 1.400 peak 2127 spectrum 1 weight 0.11000E+01 volume 0.79459E-03 ppm1 8.997 ppm2 9.775 CV 1 ASSI { 2128} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HG1%) 3.800 1.800 1.800 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 8.409 ppm2 0.853 CV 1 OR { 2128} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HG2%) ASSI { 2131} (( segid " " and resid 68 and name HN )) (( segid " " and resid 61 and name HB )) 3.400 1.400 1.400 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.91954E-03 ppm1 8.998 ppm2 1.693 CV 1 ASSI { 2132} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB1 )) 2.800 1.000 1.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 9.000 ppm2 1.569 CV 1 ASSI { 2133} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.300 1.400 1.400 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 8.995 ppm2 1.276 CV 1 ASSI { 2138} (( segid " " and resid 60 and name HN )) ( segid " " and resid 59 and name HG1%) 3.400 1.400 1.400 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 9.767 ppm2 0.952 CV 1 ASSI { 2139} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 4.000 2.200 1.500 peak 2139 spectrum 1 weight 0.11000E+01 volume 0.76127E-03 ppm1 8.404 ppm2 3.071 CV 1 ASSI { 2141} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 2141 spectrum 1 weight 0.11000E+01 volume 0.12020E-02 ppm1 8.412 ppm2 2.573 CV 1 ASSI { 2142} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG1 )) 3.800 1.800 1.800 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 8.410 ppm2 2.084 CV 1 OR { 2142} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG2 )) ASSI { 2143} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.23578E-02 ppm1 8.413 ppm2 1.822 CV 1 ASSI { 2144} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.27654E-02 ppm1 8.411 ppm2 1.727 CV 1 ASSI { 2145} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.400 1.500 1.500 peak 2145 spectrum 1 weight 0.11000E+01 volume 0.67139E-03 ppm1 8.541 ppm2 2.681 CV 1 ASSI { 2147} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.600 0.800 0.800 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 8.545 ppm2 1.177 CV 1 ASSI { 2149} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HD1%) 3.000 1.100 1.100 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.35650E-02 ppm1 8.550 ppm2 0.692 CV 1 OR { 2149} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 2150} (( segid " " and resid 123 and name HN )) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.000 peak 2150 spectrum 1 weight 0.11000E+01 volume 0.12708E-02 ppm1 8.549 ppm2 5.255 CV 1 ASSI { 2151} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.900 1.100 1.100 peak 2151 spectrum 1 weight 0.11000E+01 volume 0.17684E-02 ppm1 8.550 ppm2 4.231 CV 1 ASSI { 2154} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 4.400 2.400 1.600 peak 2154 spectrum 1 weight 0.11000E+01 volume 0.68527E-03 ppm1 8.545 ppm2 8.809 CV 1 ASSI { 2157} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 119 and name HA )) 3.600 1.600 1.100 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.18326E-02 ppm1 9.789 ppm2 4.361 CV 1 ASSI { 2158} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HZ2 )) 3.100 1.200 1.200 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 9.792 ppm2 7.253 CV 1 ASSI { 2159} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 2.600 0.900 0.900 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.36948E-02 ppm1 9.788 ppm2 6.905 CV 1 ASSI { 2162} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 2162 spectrum 1 weight 0.11000E+01 volume 0.13411E-02 ppm1 9.223 ppm2 4.844 CV 1 ASSI { 2164} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 3.300 1.300 1.300 peak 2164 spectrum 1 weight 0.11000E+01 volume 0.45682E-03 ppm1 9.213 ppm2 5.390 CV 1 ASSI { 2172} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.100 1.200 1.200 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.40673E-02 ppm1 8.900 ppm2 1.336 CV 1 ASSI { 2174} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.400 0.700 0.700 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.41156E-02 ppm1 7.820 ppm2 1.191 CV 1 ASSI { 2175} (( segid " " and resid 19 and name HN )) ( segid " " and resid 12 and name HG2%) 3.800 1.800 1.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 7.820 ppm2 0.857 CV 1 ASSI { 2177} (( segid " " and resid 77 and name HN )) ( segid " " and resid 11 and name HG1%) 4.600 2.600 1.400 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.10249E-02 ppm1 8.899 ppm2 0.691 CV 1 ASSI { 2178} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD2%) 4.200 2.200 1.800 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 7.822 ppm2 0.691 CV 1 OR { 2178} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD1%) ASSI { 2180} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.700 0.900 0.900 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.42784E-02 ppm1 7.822 ppm2 1.493 CV 1 OR { 2180} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG )) ASSI { 2181} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.900 1.000 1.000 peak 2181 spectrum 1 weight 0.11000E+01 volume 0.20004E-02 ppm1 7.823 ppm2 4.257 CV 1 ASSI { 2183} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) 3.400 1.400 1.400 peak 2183 spectrum 1 weight 0.11000E+01 volume 0.95997E-03 ppm1 7.823 ppm2 2.971 CV 1 ASSI { 2184} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 4.500 2.500 1.500 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.65519E-03 ppm1 7.823 ppm2 2.529 CV 1 ASSI { 2186} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB )) 4.500 2.500 1.500 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.75123E-03 ppm1 8.904 ppm2 4.037 CV 1 ASSI { 2187} (( segid " " and resid 77 and name HN )) (( segid " " and resid 11 and name HB )) 4.600 2.600 1.400 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.54727E-03 ppm1 8.899 ppm2 2.245 CV 1 ASSI { 2188} (( segid " " and resid 19 and name HN )) (( segid " " and resid 12 and name HA )) 4.900 3.000 1.100 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.45659E-03 ppm1 7.826 ppm2 5.499 CV 1 ASSI { 2189} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 3.000 1.200 1.200 peak 2189 spectrum 1 weight 0.11000E+01 volume 0.11233E-02 ppm1 8.904 ppm2 5.039 CV 1 ASSI { 2194} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.300 0.600 0.600 peak 2194 spectrum 1 weight 0.11000E+01 volume 0.29116E-02 ppm1 9.364 ppm2 5.203 CV 1 ASSI { 2195} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 3.000 1.100 1.100 peak 2195 spectrum 1 weight 0.11000E+01 volume 0.13483E-02 ppm1 9.363 ppm2 4.546 CV 1 ASSI { 2196} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB )) 3.900 1.900 1.900 peak 2196 spectrum 1 weight 0.11000E+01 volume 0.14601E-02 ppm1 9.363 ppm2 4.282 CV 1 ASSI { 2198} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 2.600 0.900 0.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.20880E-02 ppm1 9.362 ppm2 4.103 CV 1 ASSI { 2202} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HA )) 2.800 1.000 1.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.59136E-02 ppm1 2.113 ppm2 4.554 CV 1 ASSI { 2203} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HA )) 2.800 1.000 1.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.59136E-02 ppm1 2.113 ppm2 4.554 CV 1 ASSI { 2201} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.800 2.900 1.200 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.42556E-03 ppm1 9.361 ppm2 1.456 CV 1 OR { 2201} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HB1 )) ASSI { 2206} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 4.900 3.000 1.100 peak 2206 spectrum 1 weight 0.11000E+01 volume 0.45587E-03 ppm1 8.631 ppm2 2.599 CV 1 ASSI { 2208} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB2 )) 4.600 2.700 1.400 peak 2208 spectrum 1 weight 0.11000E+01 volume 0.73339E-03 ppm1 6.966 ppm2 2.770 CV 1 ASSI { 2209} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB1 )) 2.800 1.000 1.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 6.975 ppm2 1.829 CV 1 OR { 2209} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) ASSI { 2210} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD2 )) 4.300 2.300 1.700 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.13486E-02 ppm1 6.969 ppm2 1.720 CV 1 OR { 2210} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD1 )) ASSI { 2212} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.500 0.800 0.800 peak 2212 spectrum 1 weight 0.11000E+01 volume 0.29320E-02 ppm1 6.970 ppm2 4.558 CV 1 ASSI { 2213} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.000 0.500 0.500 peak 2213 spectrum 1 weight 0.11000E+01 volume 0.58870E-02 ppm1 6.970 ppm2 4.438 CV 1 ASSI { 2215} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.700 0.900 0.900 peak 2215 spectrum 1 weight 0.11000E+01 volume 0.94841E-03 ppm1 8.638 ppm2 4.827 CV 1 ASSI { 2218} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.900 1.000 1.000 peak 2218 spectrum 1 weight 0.11000E+01 volume 0.13345E-02 ppm1 8.628 ppm2 8.445 CV 1 ASSI { 2220} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 3.600 1.600 1.600 peak 2220 spectrum 1 weight 0.11000E+01 volume 0.15713E-02 ppm1 6.967 ppm2 9.170 CV 1 ASSI { 2221} (( segid " " and resid 111 and name HN )) (( segid " " and resid 138 and name HN )) 3.000 1.100 1.100 peak 2221 spectrum 1 weight 0.11000E+01 volume 0.15268E-02 ppm1 6.968 ppm2 9.108 CV 1 ASSI { 2222} (( segid " " and resid 111 and name HN )) (( segid " " and resid 139 and name HB1 )) 4.900 3.000 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.45720E-03 ppm1 6.968 ppm2 4.099 CV 1 ASSI { 2223} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB1 )) 4.200 2.200 1.800 peak 2223 spectrum 1 weight 0.11000E+01 volume 0.91893E-03 ppm1 6.967 ppm2 3.160 CV 1 ASSI { 2224} (( segid " " and resid 133 and name HN )) ( segid " " and resid 123 and name HD1%) 5.100 3.200 0.900 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.59022E-03 ppm1 8.788 ppm2 0.693 CV 1 OR { 2224} (( segid " " and resid 133 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 2226} (( segid " " and resid 133 and name HN )) (( segid " " and resid 125 and name HA )) 3.800 1.800 1.800 peak 2226 spectrum 1 weight 0.11000E+01 volume 0.52639E-03 ppm1 8.807 ppm2 5.656 CV 1 ASSI { 2228} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 4.700 2.700 1.300 peak 2228 spectrum 1 weight 0.11000E+01 volume 0.43624E-03 ppm1 8.800 ppm2 9.077 CV 1 ASSI { 2236} (( segid " " and resid 88 and name HN )) ( segid " " and resid 88 and name HD% ) 4.100 2.100 1.900 peak 2236 spectrum 1 weight 0.11000E+01 volume 0.45294E-03 ppm1 9.224 ppm2 7.126 CV 1 ASSI { 2240} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.400 0.700 0.700 peak 2240 spectrum 1 weight 0.11000E+01 volume 0.27141E-02 ppm1 7.761 ppm2 3.604 CV 1 ASSI { 2241} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 4.600 2.600 1.400 peak 2241 spectrum 1 weight 0.11000E+01 volume 0.45644E-03 ppm1 8.838 ppm2 7.984 CV 1 ASSI { 2244} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 2244 spectrum 1 weight 0.11000E+01 volume 0.14002E-02 ppm1 7.985 ppm2 8.217 CV 1 ASSI { 2245} (( segid " " and resid 31 and name HN )) (( segid " " and resid 43 and name HN )) 3.400 1.500 1.500 peak 2245 spectrum 1 weight 0.11000E+01 volume 0.10691E-02 ppm1 9.200 ppm2 9.381 CV 1 ASSI { 2246} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 4.400 2.600 1.300 peak 2246 spectrum 1 weight 0.11000E+01 volume 0.55458E-03 ppm1 8.731 ppm2 9.203 CV 1 ASSI { 2248} (( segid " " and resid 35 and name HN )) (( segid " " and resid 41 and name HN )) 4.500 2.500 1.500 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.32420E-03 ppm1 8.229 ppm2 9.108 CV 1 ASSI { 2250} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 4.500 2.500 1.500 peak 2250 spectrum 1 weight 0.11000E+01 volume 0.47953E-03 ppm1 8.879 ppm2 9.363 CV 1 OR { 2250} (( segid " " and resid 42 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 2255} (( segid " " and resid 44 and name HN )) (( segid " " and resid 31 and name HN )) 4.800 2.900 1.200 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.32919E-03 ppm1 8.117 ppm2 9.232 CV 1 ASSI { 2259} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.700 2.700 1.300 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.50787E-03 ppm1 8.467 ppm2 2.338 CV 1 ASSI { 2261} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 4.000 2.200 2.000 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.56968E-03 ppm1 8.212 ppm2 9.112 CV 1 ASSI { 2263} (( segid " " and resid 54 and name HN )) ( segid " " and resid 57 and name HB% ) 4.000 2.200 2.000 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 8.338 ppm2 1.200 CV 1 ASSI { 2274} (( segid " " and resid 61 and name HN )) ( segid " " and resid 41 and name HG2%) 5.000 3.100 1.000 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.46454E-03 ppm1 9.759 ppm2 0.890 CV 1 ASSI { 2279} (( segid " " and resid 61 and name HN )) ( segid " " and resid 59 and name HG1%) 4.100 2.100 1.900 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.41662E-03 ppm1 9.758 ppm2 0.953 CV 1 ASSI { 2280} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HD1%) 4.100 2.100 1.900 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.68599E-03 ppm1 9.771 ppm2 0.699 CV 1 ASSI { 2284} (( segid " " and resid 68 and name HN )) (( segid " " and resid 62 and name HA )) 4.000 2.200 2.000 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.75442E-03 ppm1 8.995 ppm2 4.918 CV 1 ASSI { 2286} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 4.200 2.200 1.800 peak 2286 spectrum 1 weight 0.11000E+01 volume 0.51278E-03 ppm1 8.634 ppm2 3.097 CV 1 ASSI { 2289} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 4.200 2.200 1.800 peak 2289 spectrum 1 weight 0.11000E+01 volume 0.50988E-03 ppm1 7.762 ppm2 6.927 CV 1 ASSI { 2291} (( segid " " and resid 78 and name HN )) (( segid " " and resid 85 and name HN )) 2.800 1.000 1.000 peak 2291 spectrum 1 weight 0.11000E+01 volume 0.20325E-02 ppm1 8.710 ppm2 9.066 CV 1 ASSI { 2292} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 4.500 2.500 1.500 peak 2292 spectrum 1 weight 0.11000E+01 volume 0.14603E-02 ppm1 8.708 ppm2 8.888 CV 1 ASSI { 2293} (( segid " " and resid 79 and name HN )) ( segid " " and resid 84 and name HD1%) 4.300 2.300 1.700 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.65579E-03 ppm1 8.872 ppm2 0.170 CV 1 ASSI { 2295} (( segid " " and resid 84 and name HN )) ( segid " " and resid 108 and name HD% ) 5.100 3.200 0.900 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.58440E-03 ppm1 8.301 ppm2 6.740 CV 1 ASSI { 2296} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 4.500 2.500 1.500 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.70844E-03 ppm1 8.307 ppm2 9.069 CV 1 ASSI { 2297} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HD2%) 4.500 2.600 1.500 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.90794E-03 ppm1 8.300 ppm2 0.442 CV 1 ASSI { 2299} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) 4.600 2.600 1.400 peak 2299 spectrum 1 weight 0.11000E+01 volume 0.68615E-03 ppm1 9.067 ppm2 8.507 CV 1 ASSI { 2303} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.500 0.800 0.800 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.31664E-02 ppm1 9.059 ppm2 1.631 CV 1 OR { 2303} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB1 )) ASSI { 2308} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HD2%) 4.300 2.400 1.700 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.75431E-03 ppm1 9.056 ppm2 0.441 CV 1 ASSI { 2312} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 4.600 2.700 1.400 peak 2312 spectrum 1 weight 0.11000E+01 volume 0.33276E-03 ppm1 8.773 ppm2 9.235 CV 1 ASSI { 2314} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 2314 spectrum 1 weight 0.11000E+01 volume 0.12306E-02 ppm1 9.358 ppm2 2.643 CV 1 ASSI { 2315} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HD% ) 3.900 1.900 1.900 peak 2315 spectrum 1 weight 0.11000E+01 volume 0.66420E-03 ppm1 9.359 ppm2 6.965 CV 1 ASSI { 2317} (( segid " " and resid 89 and name HN )) ( segid " " and resid 87 and name HG2%) 5.000 3.200 1.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.41202E-03 ppm1 9.126 ppm2 0.772 CV 1 ASSI { 3593} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HN )) 4.100 2.100 1.900 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.79760E-03 ppm1 2.213 ppm2 9.128 CV 1 ASSI { 3595} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 89 and name HN )) 3.300 1.500 0.800 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.12355E-02 ppm1 2.290 ppm2 9.135 CV 1 ASSI { 2320} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB1 )) 4.200 2.200 1.800 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 8.522 ppm2 3.100 CV 1 ASSI { 2321} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 4.400 2.400 1.600 peak 2321 spectrum 1 weight 0.11000E+01 volume 0.76694E-03 ppm1 8.748 ppm2 8.529 CV 1 OR { 2321} (( segid " " and resid 92 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 2323} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.300 1.300 1.300 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 8.748 ppm2 2.828 CV 1 OR { 2323} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) ASSI { 2329} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HA )) 4.900 3.000 1.100 peak 2329 spectrum 1 weight 0.11000E+01 volume 0.68170E-03 ppm1 7.095 ppm2 4.484 CV 1 OR { 2329} (( segid " " and resid 96 and name HN )) (( segid " " and resid 129 and name HA )) ASSI { 2330} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 2.800 1.000 0.600 peak 2330 spectrum 1 weight 0.11000E+01 volume 0.53624E-02 ppm1 8.568 ppm2 8.238 CV 1 ASSI { 2332} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.800 1.000 1.000 peak 2332 spectrum 1 weight 0.11000E+01 volume 0.30566E-02 ppm1 8.566 ppm2 8.469 CV 1 ASSI { 2333} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 3.300 1.300 1.300 peak 2333 spectrum 1 weight 0.11000E+01 volume 0.30327E-02 ppm1 8.568 ppm2 2.099 CV 1 ASSI { 2343} (( segid " " and resid 113 and name HN )) ( segid " " and resid 114 and name HB% ) 3.900 1.900 1.900 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.23190E-02 ppm1 8.295 ppm2 1.549 CV 1 ASSI { 2344} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HG2 )) 2.700 0.900 0.900 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.16915E-02 ppm1 8.295 ppm2 1.442 CV 1 OR { 2344} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HG1 )) ASSI { 2345} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 4.500 2.600 1.500 peak 2345 spectrum 1 weight 0.11000E+01 volume 0.58059E-03 ppm1 8.578 ppm2 9.310 CV 1 ASSI { 2346} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 2.800 1.000 0.700 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.56770E-02 ppm1 8.665 ppm2 8.582 CV 1 ASSI { 2349} (( segid " " and resid 121 and name HN )) (( segid " " and resid 135 and name HN )) 3.000 1.100 1.100 peak 2349 spectrum 1 weight 0.11000E+01 volume 0.11928E-02 ppm1 8.737 ppm2 9.095 CV 1 ASSI { 2353} (( segid " " and resid 126 and name HN )) (( segid " " and resid 132 and name HA )) 3.600 1.600 1.600 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.30716E-03 ppm1 8.878 ppm2 5.215 CV 1 ASSI { 2355} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 4.700 2.800 1.300 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.56606E-03 ppm1 8.873 ppm2 3.031 CV 1 ASSI { 2356} (( segid " " and resid 126 and name HN )) (( segid " " and resid 131 and name HB )) 4.900 3.000 1.100 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.42932E-03 ppm1 8.873 ppm2 3.518 CV 1 OR { 2356} (( segid " " and resid 126 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 2357} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB1 )) 4.700 2.800 1.300 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.41384E-03 ppm1 8.868 ppm2 3.371 CV 1 ASSI { 2359} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 2.400 0.700 0.700 peak 2359 spectrum 1 weight 0.11000E+01 volume 0.28177E-02 ppm1 8.847 ppm2 4.735 CV 1 ASSI { 2364} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 4.000 2.000 2.000 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.62818E-03 ppm1 7.759 ppm2 2.409 CV 1 ASSI { 2366} (( segid " " and resid 130 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.800 1.800 1.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.81346E-03 ppm1 7.759 ppm2 2.111 CV 1 OR { 2366} (( segid " " and resid 130 and name HN )) (( segid " " and resid 127 and name HB1 )) OR { 2366} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 2367} (( segid " " and resid 133 and name HN )) ( segid " " and resid 125 and name HD% ) 5.100 3.200 0.900 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.54552E-03 ppm1 8.800 ppm2 7.420 CV 1 ASSI { 2369} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HD% ) 2.900 1.100 1.100 peak 2369 spectrum 1 weight 0.11000E+01 volume 0.14666E-02 ppm1 8.805 ppm2 6.934 CV 1 ASSI { 2372} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 4.200 2.200 1.800 peak 2372 spectrum 1 weight 0.11000E+01 volume 0.92144E-03 ppm1 8.790 ppm2 2.719 CV 1 ASSI { 3567} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 22 and name HD1%) 5.000 3.200 1.100 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.48683E-03 ppm1 0.641 ppm2 -0.445 CV 1 ! ASSI { 4530} ! ( segid " " and resid 86 and name HD2%) ! ( segid " " and resid 22 and name HD2%) ! 4.900 2.900 1.100 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.48683E-03 ppm1 0.641 ppm2 -0.014 CV 1 ASSI { 2378} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 4.500 2.500 1.000 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.31418E-03 ppm1 8.827 ppm2 9.781 CV 1 ASSI { 2379} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB1 )) 3.900 1.900 1.900 peak 2379 spectrum 1 weight 0.11000E+01 volume 0.17543E-02 ppm1 8.826 ppm2 3.772 CV 1 ASSI { 2381} (( segid " " and resid 136 and name HE1 )) ( segid " " and resid 108 and name HE% ) 5.000 3.100 1.000 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.15013E-03 ppm1 9.779 ppm2 6.484 CV 1 ASSI { 2382} (( segid " " and resid 136 and name HE1 )) (( segid " " and resid 119 and name HN )) 4.500 2.500 1.500 peak 2382 spectrum 1 weight 0.11000E+01 volume 0.34215E-03 ppm1 9.790 ppm2 8.247 CV 1 ASSI { 2386} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.800 2.800 1.200 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.31294E-03 ppm1 9.342 ppm2 9.110 CV 1 ASSI { 2391} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.800 1.000 0.700 peak 2391 spectrum 1 weight 0.11000E+01 volume 0.46671E-02 ppm1 7.530 ppm2 7.114 CV 1 ASSI { 2393} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HB1 )) 5.200 3.400 0.800 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.40973E-03 ppm1 7.117 ppm2 3.365 CV 1 ASSI { 2396} (( segid " " and resid 141 and name HN )) (( segid " " and resid 110 and name HA )) 3.700 1.700 1.700 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.44419E-03 ppm1 7.123 ppm2 4.426 CV 1 ASSI { 2399} (( segid " " and resid 143 and name HN )) ( segid " " and resid 20 and name HE% ) 5.000 3.200 1.000 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.49049E-03 ppm1 8.975 ppm2 6.807 CV 1 ASSI { 2404} (( segid " " and resid 11 and name HN )) ( segid " " and resid 20 and name HD% ) 5.000 3.100 1.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.48649E-03 ppm1 8.839 ppm2 7.440 CV 1 ASSI { 2407} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.700 3.700 2.300 peak 2407 spectrum 1 weight 0.11000E+01 volume 0.94887E-03 ppm1 9.631 ppm2 3.740 CV 1 ASSI { 2408} (( segid " " and resid 77 and name HN )) (( segid " " and resid 9 and name HA )) 4.500 2.500 1.500 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.37523E-03 ppm1 8.905 ppm2 3.679 CV 1 ASSI { 2409} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB2 )) 4.200 2.200 1.800 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.61255E-03 ppm1 8.498 ppm2 1.851 CV 1 OR { 2409} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB1 )) ASSI { 2412} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 2412 spectrum 1 weight 0.11000E+01 volume 0.34393E-02 ppm1 8.091 ppm2 8.490 CV 1 ASSI { 2414} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HN )) 3.200 1.300 1.300 peak 2414 spectrum 1 weight 0.11000E+01 volume 0.34393E-02 ppm1 8.490 ppm2 8.091 CV 1 ASSI { 2416} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.000 1.100 1.100 peak 2416 spectrum 1 weight 0.11000E+01 volume 0.18731E-02 ppm1 8.467 ppm2 2.273 CV 1 ASSI { 2418} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD22)) 5.000 3.100 1.000 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.46812E-03 ppm1 8.388 ppm2 6.950 CV 1 ASSI { 2419} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.900 1.100 1.100 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.23618E-02 ppm1 8.394 ppm2 4.799 CV 1 ASSI { 2424} (( segid " " and resid 8 and name HN )) (( segid " " and resid 75 and name HD1 )) 4.800 2.800 1.200 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.78356E-03 ppm1 8.169 ppm2 1.631 CV 1 OR { 2424} (( segid " " and resid 8 and name HN )) (( segid " " and resid 75 and name HD2 )) ASSI { 2425} (( segid " " and resid 11 and name HN )) (( segid " " and resid 19 and name HA )) 4.500 2.500 1.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.38060E-03 ppm1 8.838 ppm2 4.250 CV 1 ASSI { 2426} (( segid " " and resid 11 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.600 1.600 1.600 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.32753E-03 ppm1 8.850 ppm2 2.646 CV 1 ASSI { 2431} (( segid " " and resid 13 and name HN )) ( segid " " and resid 20 and name HD% ) 3.800 1.800 1.800 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.65058E-03 ppm1 8.221 ppm2 7.449 CV 1 ASSI { 2432} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD21)) 5.000 3.100 1.000 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.48478E-03 ppm1 8.221 ppm2 7.317 CV 1 ASSI { 2433} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.600 0.900 0.900 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.24657E-02 ppm1 8.214 ppm2 4.387 CV 1 ASSI { 2434} (( segid " " and resid 13 and name HN )) (( segid " " and resid 18 and name HA )) 4.200 2.200 1.800 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.60604E-03 ppm1 8.212 ppm2 3.950 CV 1 ASSI { 2438} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HD21)) 4.600 2.700 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.40928E-03 ppm1 7.753 ppm2 7.320 CV 1 ASSI { 2440} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.700 1.700 1.700 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.32352E-03 ppm1 6.736 ppm2 3.179 CV 1 ASSI { 2441} (( segid " " and resid 16 and name HN )) ( segid " " and resid 12 and name HG2%) 5.100 3.300 0.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.50460E-03 ppm1 6.745 ppm2 0.867 CV 1 ASSI { 2442} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HN )) 4.000 2.200 2.000 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.31251E-03 ppm1 8.725 ppm2 8.215 CV 1 ASSI { 2443} (( segid " " and resid 18 and name HN )) (( segid " " and resid 13 and name HN )) 3.600 1.700 1.700 peak 2443 spectrum 1 weight 0.11000E+01 volume 0.81281E-03 ppm1 7.877 ppm2 8.217 CV 1 ASSI { 2446} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HB )) 5.100 3.300 0.900 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.68056E-03 ppm1 7.817 ppm2 4.324 CV 1 ASSI { 2449} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HE% ) 5.500 3.800 0.500 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.29254E-03 ppm1 9.292 ppm2 6.813 CV 1 ASSI { 2451} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 3.700 1.700 1.700 peak 2451 spectrum 1 weight 0.11000E+01 volume 0.32385E-03 ppm1 9.297 ppm2 4.736 CV 1 ASSI { 2453} (( segid " " and resid 20 and name HN )) ( segid " " and resid 84 and name HD2%) 6.000 5.000 0.000 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.42742E-03 ppm1 9.303 ppm2 0.438 CV 1 ASSI { 2454} (( segid " " and resid 20 and name HN )) ( segid " " and resid 84 and name HD1%) 6.000 6.000 0.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.22128E-03 ppm1 9.306 ppm2 0.183 CV 1 ASSI { 2456} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG )) 3.800 1.800 1.800 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.55522E-03 ppm1 8.572 ppm2 0.933 CV 1 ASSI { 2458} (( segid " " and resid 21 and name HN )) ( segid " " and resid 84 and name HD2%) 5.600 3.900 0.400 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.31206E-03 ppm1 8.573 ppm2 0.441 CV 1 ASSI { 2459} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 4.600 2.700 1.400 peak 2459 spectrum 1 weight 0.11000E+01 volume 0.65598E-03 ppm1 8.202 ppm2 8.588 CV 1 ASSI { 2461} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 5.200 3.300 0.800 peak 2461 spectrum 1 weight 0.11000E+01 volume 0.33335E-03 ppm1 8.201 ppm2 2.192 CV 1 ASSI { 2466} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HB1 )) 4.900 3.000 1.100 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.870 ppm2 2.925 CV 1 ASSI { 2471} (( segid " " and resid 25 and name HN )) (( segid " " and resid 3 and name HB1 )) 4.200 2.200 1.800 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.30523E-03 ppm1 7.911 ppm2 3.831 CV 1 ASSI { 2473} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 4.600 2.600 1.400 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.52708E-03 ppm1 7.582 ppm2 8.227 CV 1 ASSI { 2492} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.53700E-02 ppm1 9.197 ppm2 2.062 CV 1 OR { 2492} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) ASSI { 2493} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.600 0.800 0.800 peak 2493 spectrum 1 weight 0.11000E+01 volume 0.29243E-02 ppm1 9.198 ppm2 4.012 CV 1 ASSI { 2494} (( segid " " and resid 28 and name HN )) (( segid " " and resid 30 and name HN )) 4.700 2.800 1.300 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.47801E-03 ppm1 9.192 ppm2 7.365 CV 1 ASSI { 2495} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) 4.800 2.900 1.200 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.59954E-03 ppm1 9.197 ppm2 1.458 CV 1 ASSI { 2496} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HD1 )) 5.700 4.000 0.300 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.34231E-03 ppm1 9.200 ppm2 2.895 CV 1 ASSI { 2497} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HD1 )) 5.400 3.600 0.600 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.34505E-03 ppm1 8.209 ppm2 2.885 CV 1 ASSI { 2502} (( segid " " and resid 31 and name HN )) (( segid " " and resid 45 and name HN )) 5.300 3.500 0.700 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.22054E-03 ppm1 9.190 ppm2 8.471 CV 1 ASSI { 2505} (( segid " " and resid 31 and name HN )) (( segid " " and resid 44 and name HA )) 3.300 1.400 1.400 peak 2505 spectrum 1 weight 0.11000E+01 volume 0.42198E-03 ppm1 9.198 ppm2 5.191 CV 1 ASSI { 2509} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 4.800 2.800 1.200 peak 2509 spectrum 1 weight 0.11000E+01 volume 0.43906E-03 ppm1 8.326 ppm2 9.350 CV 1 ASSI { 2510} (( segid " " and resid 34 and name HN )) (( segid " " and resid 41 and name HN )) 5.200 3.300 0.800 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.21109E-03 ppm1 8.316 ppm2 9.081 CV 1 ASSI { 2511} (( segid " " and resid 34 and name HN )) (( segid " " and resid 41 and name HB )) 5.600 3.900 0.400 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.28873E-03 ppm1 8.327 ppm2 1.871 CV 1 ASSI { 2512} (( segid " " and resid 34 and name HN )) ( segid " " and resid 41 and name HD1%) 5.100 3.300 0.900 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.60962E-03 ppm1 8.323 ppm2 0.615 CV 1 ASSI { 2513} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD1%) 3.900 1.900 1.900 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.26161E-02 ppm1 8.332 ppm2 0.904 CV 1 ASSI { 2515} (( segid " " and resid 35 and name HN )) (( segid " " and resid 39 and name HN )) 3.800 1.800 2.200 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.19686E-02 ppm1 8.220 ppm2 8.392 CV 1 ASSI { 2518} (( segid " " and resid 35 and name HN )) ( segid " " and resid 33 and name HD1%) 5.200 3.400 0.800 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.42624E-03 ppm1 8.231 ppm2 0.917 CV 1 OR { 2518} (( segid " " and resid 35 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 2521} (( segid " " and resid 36 and name HN )) ( segid " " and resid 41 and name HD1%) 5.500 3.500 0.500 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.34935E-03 ppm1 8.153 ppm2 0.617 CV 1 ASSI { 2527} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HB1 )) 4.200 2.200 1.800 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.35789E-03 ppm1 8.271 ppm2 2.194 CV 1 ASSI { 2530} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HD22)) 5.400 3.700 0.600 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.32592E-03 ppm1 8.318 ppm2 7.587 CV 1 ASSI { 2531} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HD21)) 5.000 3.100 1.000 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.21225E-03 ppm1 8.307 ppm2 6.839 CV 1 ASSI { 2539} (( segid " " and resid 40 and name HN )) ( segid " " and resid 61 and name HG2%) 4.100 2.100 1.900 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.49950E-03 ppm1 8.164 ppm2 0.542 CV 1 ASSI { 2540} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 4.600 2.600 1.400 peak 2540 spectrum 1 weight 0.11000E+01 volume 0.36698E-03 ppm1 8.874 ppm2 9.097 CV 1 ASSI { 2542} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG12)) 5.000 3.100 1.000 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.36147E-03 ppm1 8.889 ppm2 1.413 CV 1 OR { 2542} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG11)) ASSI { 2545} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 4.900 3.000 1.100 peak 2545 spectrum 1 weight 0.11000E+01 volume 0.29790E-03 ppm1 9.363 ppm2 8.123 CV 1 ASSI { 2546} (( segid " " and resid 43 and name HN )) ( segid " " and resid 31 and name HD% ) 4.000 2.000 2.000 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.46413E-03 ppm1 9.362 ppm2 7.292 CV 1 ASSI { 2554} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.700 1.800 1.800 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.43202E-03 ppm1 8.121 ppm2 2.338 CV 1 ASSI { 2555} (( segid " " and resid 44 and name HN )) ( segid " " and resid 58 and name HB% ) 3.700 1.700 1.700 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.31486E-03 ppm1 8.112 ppm2 0.272 CV 1 ASSI { 2561} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.900 1.900 1.900 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.47466E-03 ppm1 7.275 ppm2 3.993 CV 1 ASSI { 2563} (( segid " " and resid 47 and name HN )) ( segid " " and resid 73 and name HD2%) 4.500 2.500 1.500 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.71486E-03 ppm1 7.270 ppm2 0.836 CV 1 ASSI { 2565} (( segid " " and resid 47 and name HN )) ( segid " " and resid 58 and name HB% ) 5.300 3.500 0.700 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.44868E-03 ppm1 7.273 ppm2 0.268 CV 1 ASSI { 2567} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 4.500 2.500 1.500 peak 2567 spectrum 1 weight 0.11000E+01 volume 0.82920E-03 ppm1 8.457 ppm2 8.682 CV 1 ASSI { 2569} (( segid " " and resid 49 and name HN )) (( segid " " and resid 58 and name HN )) 5.400 3.600 0.600 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.23688E-03 ppm1 8.683 ppm2 9.645 CV 1 ASSI { 2570} (( segid " " and resid 50 and name HN )) (( segid " " and resid 44 and name HD21)) 4.900 3.000 1.100 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.25029E-03 ppm1 8.455 ppm2 7.601 CV 1 ASSI { 2572} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.500 2.600 1.500 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.45207E-03 ppm1 8.214 ppm2 4.010 CV 1 ASSI { 2573} (( segid " " and resid 51 and name HN )) ( segid " " and resid 49 and name HB% ) 3.900 1.900 1.900 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.68622E-03 ppm1 8.214 ppm2 1.040 CV 1 ASSI { 2574} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 3.300 1.500 1.000 peak 2574 spectrum 1 weight 0.11000E+01 volume 0.12195E-02 ppm1 8.167 ppm2 9.110 CV 1 ASSI { 2575} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 4.000 2.200 2.000 peak 2575 spectrum 1 weight 0.11000E+01 volume 0.22191E-02 ppm1 8.165 ppm2 8.353 CV 1 OR { 2575} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 2576} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 4.200 2.200 1.800 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.53411E-03 ppm1 8.163 ppm2 3.818 CV 1 ASSI { 2585} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 2585 spectrum 1 weight 0.11000E+01 volume 0.53347E-03 ppm1 6.899 ppm2 4.601 CV 1 ASSI { 2587} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HA )) 3.800 1.800 1.800 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 9.785 ppm2 4.260 CV 1 ASSI { 2592} (( segid " " and resid 63 and name HN )) ( segid " " and resid 61 and name HG2%) 4.100 2.100 1.900 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.39121E-03 ppm1 8.550 ppm2 0.545 CV 1 ASSI { 2595} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 4.200 2.200 1.800 peak 2595 spectrum 1 weight 0.11000E+01 volume 0.86207E-03 ppm1 8.394 ppm2 8.994 CV 1 ASSI { 2598} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 3.100 1.200 1.200 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.80159E-03 ppm1 8.388 ppm2 4.816 CV 1 ASSI { 2604} (( segid " " and resid 68 and name HN )) ( segid " " and resid 61 and name HG2%) 4.600 2.700 1.400 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.48044E-03 ppm1 8.997 ppm2 0.531 CV 1 ASSI { 2605} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB1 )) 5.200 3.400 0.800 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.29826E-03 ppm1 8.468 ppm2 1.559 CV 1 ASSI { 2608} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HG )) 3.700 1.700 1.700 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.65222E-03 ppm1 8.468 ppm2 1.063 CV 1 ASSI { 2610} (( segid " " and resid 70 and name HN )) (( segid " " and resid 61 and name HN )) 4.400 2.400 1.600 peak 2610 spectrum 1 weight 0.11000E+01 volume 0.33734E-03 ppm1 8.636 ppm2 9.770 CV 1 ASSI { 2612} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 4.400 2.400 1.600 peak 2612 spectrum 1 weight 0.11000E+01 volume 0.52879E-03 ppm1 8.435 ppm2 8.839 CV 1 ASSI { 2613} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.94255E-03 ppm1 8.436 ppm2 4.502 CV 1 ASSI { 2614} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA1 )) 2.800 2.800 3.200 peak 2614 spectrum 1 weight 0.11000E+01 volume 0.16683E-02 ppm1 8.443 ppm2 4.014 CV 1 OR { 2614} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA2 )) ASSI { 2616} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HB% ) 4.500 2.500 1.500 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.70745E-03 ppm1 8.429 ppm2 1.318 CV 1 ASSI { 2618} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 5.000 3.100 1.000 peak 2618 spectrum 1 weight 0.11000E+01 volume 0.44868E-03 ppm1 8.829 ppm2 7.760 CV 1 ASSI { 2627} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 3.300 1.400 1.400 peak 2627 spectrum 1 weight 0.11000E+01 volume 0.42757E-03 ppm1 6.929 ppm2 4.578 CV 1 ASSI { 2630} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) 4.500 2.500 1.500 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.53240E-03 ppm1 6.917 ppm2 1.488 CV 1 ASSI { 2634} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.800 1.800 1.500 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.47748E-03 ppm1 8.061 ppm2 4.859 CV 1 ASSI { 2642} (( segid " " and resid 77 and name HN )) (( segid " " and resid 9 and name HN )) 5.000 3.200 1.000 peak 2642 spectrum 1 weight 0.11000E+01 volume 0.31402E-03 ppm1 8.892 ppm2 9.635 CV 1 ASSI { 2644} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 4.500 2.600 1.500 peak 2644 spectrum 1 weight 0.11000E+01 volume 0.60764E-03 ppm1 8.880 ppm2 8.704 CV 1 ASSI { 2652} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HB )) 5.100 3.300 0.900 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.43366E-03 ppm1 6.826 ppm2 1.993 CV 1 ASSI { 2654} (( segid " " and resid 84 and name HN )) (( segid " " and resid 108 and name HB2 )) 4.400 2.400 1.600 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.35987E-03 ppm1 8.299 ppm2 2.394 CV 1 ASSI { 2657} (( segid " " and resid 85 and name HN )) (( segid " " and resid 108 and name HN )) 5.000 3.100 1.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.24406E-03 ppm1 9.066 ppm2 9.649 CV 1 ASSI { 2658} (( segid " " and resid 85 and name HN )) ( segid " " and resid 20 and name HE% ) 4.500 2.600 1.500 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.49049E-03 ppm1 9.055 ppm2 6.821 CV 1 ASSI { 2660} (( segid " " and resid 85 and name HN )) (( segid " " and resid 79 and name HA )) 4.000 2.000 2.000 peak 2660 spectrum 1 weight 0.11000E+01 volume 0.34795E-03 ppm1 9.050 ppm2 4.913 CV 1 ASSI { 2663} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HN )) 4.500 2.500 1.500 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.44077E-03 ppm1 8.499 ppm2 8.776 CV 1 ASSI { 2666} (( segid " " and resid 86 and name HN )) (( segid " " and resid 107 and name HA )) 3.900 1.900 1.900 peak 2666 spectrum 1 weight 0.11000E+01 volume 0.49300E-03 ppm1 8.501 ppm2 5.161 CV 1 ASSI { 2669} (( segid " " and resid 86 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.700 1.700 1.700 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.41004E-03 ppm1 8.492 ppm2 2.150 CV 1 ASSI { 2672} (( segid " " and resid 88 and name HN )) (( segid " " and resid 106 and name HN )) 5.000 3.100 1.000 peak 2672 spectrum 1 weight 0.11000E+01 volume 0.40019E-03 ppm1 9.214 ppm2 9.426 CV 1 ASSI { 2675} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.900 1.900 1.900 peak 2675 spectrum 1 weight 0.11000E+01 volume 0.61738E-03 ppm1 9.121 ppm2 3.283 CV 1 ASSI { 2676} (( segid " " and resid 89 and name HN )) (( segid " " and resid 72 and name HN )) 3.500 1.600 1.600 peak 2676 spectrum 1 weight 0.11000E+01 volume 0.53328E-03 ppm1 9.132 ppm2 8.842 CV 1 ASSI { 2689} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.700 1.700 1.700 peak 2689 spectrum 1 weight 0.11000E+01 volume 0.11262E-02 ppm1 8.447 ppm2 2.563 CV 1 ASSI { 2691} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) 4.500 2.500 1.500 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.59493E-03 ppm1 8.564 ppm2 4.482 CV 1 ASSI { 2695} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG1 )) 4.500 2.500 1.500 peak 2695 spectrum 1 weight 0.11000E+01 volume 0.52031E-03 ppm1 8.465 ppm2 2.520 CV 1 ASSI { 2696} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG2 )) 4.500 2.600 1.500 peak 2696 spectrum 1 weight 0.11000E+01 volume 0.90775E-03 ppm1 8.460 ppm2 2.429 CV 1 ASSI { 2697} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 4.500 2.500 1.500 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.65990E-03 ppm1 8.483 ppm2 2.343 CV 1 ASSI { 2699} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 3.000 3.000 3.000 peak 2699 spectrum 1 weight 0.11000E+01 volume 0.10921E-02 ppm1 8.483 ppm2 4.171 CV 1 ASSI { 2702} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 4.700 2.800 1.300 peak 2702 spectrum 1 weight 0.11000E+01 volume 0.44792E-03 ppm1 9.336 ppm2 9.095 CV 1 ASSI { 2705} (( segid " " and resid 106 and name HN )) ( segid " " and resid 108 and name HE% ) 5.100 3.300 0.900 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.35051E-03 ppm1 9.418 ppm2 6.466 CV 1 ASSI { 2706} (( segid " " and resid 106 and name HN )) (( segid " " and resid 85 and name HA )) 4.800 2.900 1.200 peak 2706 spectrum 1 weight 0.11000E+01 volume 0.32328E-03 ppm1 9.415 ppm2 5.631 CV 1 ASSI { 2710} (( segid " " and resid 107 and name HN )) (( segid " " and resid 134 and name HN )) 4.400 2.400 1.600 peak 2710 spectrum 1 weight 0.11000E+01 volume 0.36879E-03 ppm1 7.654 ppm2 9.085 CV 1 ASSI { 2711} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 4.600 2.600 1.400 peak 2711 spectrum 1 weight 0.11000E+01 volume 0.28309E-03 ppm1 7.672 ppm2 9.427 CV 1 ASSI { 2714} (( segid " " and resid 108 and name HN )) (( segid " " and resid 86 and name HN )) 5.300 3.500 0.700 peak 2714 spectrum 1 weight 0.11000E+01 volume 0.38151E-03 ppm1 9.659 ppm2 8.498 CV 1 ASSI { 2715} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HE% ) 5.000 3.100 1.000 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.46207E-03 ppm1 9.670 ppm2 6.473 CV 1 ASSI { 2717} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) 4.500 2.600 1.500 peak 2717 spectrum 1 weight 0.11000E+01 volume 0.35674E-03 ppm1 8.347 ppm2 9.668 CV 1 ASSI { 2718} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HD% ) 4.600 2.700 1.400 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.60098E-03 ppm1 8.345 ppm2 6.733 CV 1 ASSI { 2720} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB1 )) 4.000 2.000 2.000 peak 2720 spectrum 1 weight 0.11000E+01 volume 0.44328E-03 ppm1 8.344 ppm2 2.979 CV 1 ASSI { 2722} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 4.400 2.400 1.600 peak 2722 spectrum 1 weight 0.11000E+01 volume 0.86724E-03 ppm1 9.153 ppm2 6.968 CV 1 ASSI { 2723} (( segid " " and resid 110 and name HN )) (( segid " " and resid 142 and name HA )) 4.500 2.500 1.10 peak 2723 spectrum 1 weight 0.11000E+01 volume 0.31398E-03 ppm1 9.140 ppm2 4.892 CV 1 ASSI { 2724} (( segid " " and resid 111 and name HN )) (( segid " " and resid 142 and name HN )) 5.000 3.200 1.000 peak 2724 spectrum 1 weight 0.11000E+01 volume 0.21949E-03 ppm1 6.980 ppm2 7.532 CV 1 ASSI { 2727} (( segid " " and resid 111 and name HN )) (( segid " " and resid 138 and name HA )) 4.400 2.500 1.600 peak 2727 spectrum 1 weight 0.11000E+01 volume 0.21036E-03 ppm1 6.971 ppm2 5.208 CV 1 ASSI { 2738} (( segid " " and resid 114 and name HN )) (( segid " " and resid 112 and name HN )) 5.200 3.400 0.800 peak 2738 spectrum 1 weight 0.11000E+01 volume 0.40486E-03 ppm1 7.716 ppm2 9.185 CV 1 ASSI { 2753} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.800 1.800 1.800 peak 2753 spectrum 1 weight 0.11000E+01 volume 0.70600E-03 ppm1 8.242 ppm2 2.847 CV 1 ASSI { 2754} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG2 )) 2.700 0.900 0.900 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.37972E-02 ppm1 8.254 ppm2 2.436 CV 1 OR { 2754} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG1 )) ASSI { 2755} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.300 1.400 1.400 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.18152E-02 ppm1 8.256 ppm2 2.066 CV 1 ASSI { 2756} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.400 1.400 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 8.250 ppm2 1.751 CV 1 ASSI { 2761} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 2761 spectrum 1 weight 0.11000E+01 volume 0.18805E-02 ppm1 8.740 ppm2 4.300 CV 1 ASSI { 2766} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 5.200 3.400 0.800 peak 2766 spectrum 1 weight 0.11000E+01 volume 0.29588E-03 ppm1 8.874 ppm2 8.533 CV 1 ASSI { 2773} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.800 1.800 1.800 peak 2773 spectrum 1 weight 0.11000E+01 volume 0.30915E-03 ppm1 8.830 ppm2 4.904 CV 1 ASSI { 2787} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HD2 )) 3.400 1.500 1.500 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.42190E-03 ppm1 8.373 ppm2 3.652 CV 1 ASSI { 2788} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD1 )) 4.600 2.700 1.400 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.77618E-03 ppm1 8.370 ppm2 3.158 CV 1 OR { 2788} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD2 )) ASSI { 2790} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.500 1.500 1.500 peak 2790 spectrum 1 weight 0.11000E+01 volume 0.39771E-02 ppm1 8.188 ppm2 1.970 CV 1 ASSI { 2797} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.200 1.300 1.300 peak 2797 spectrum 1 weight 0.11000E+01 volume 0.91429E-02 ppm1 8.579 ppm2 1.936 CV 1 OR { 2797} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) ASSI { 2801} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 4.500 2.500 1.500 peak 2801 spectrum 1 weight 0.11000E+01 volume 0.58337E-03 ppm1 7.874 ppm2 4.520 CV 1 ASSI { 2804} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 2804 spectrum 1 weight 0.11000E+01 volume 0.35962E-03 ppm1 9.204 ppm2 4.774 CV 1 ASSI { 2806} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 6.000 5.000 0.000 peak 2806 spectrum 1 weight 0.11000E+01 volume 0.20733E-03 ppm1 9.347 ppm2 4.783 CV 1 ASSI { 2818} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 2.800 1.000 0.600 peak 2818 spectrum 1 weight 0.11000E+01 volume 0.45656E-02 ppm1 8.396 ppm2 8.324 CV 1 ASSI { 2822} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HA )) 2.900 2.900 3.100 peak 2822 spectrum 1 weight 0.11000E+01 volume 0.65450E-02 ppm1 8.169 ppm2 4.380 CV 1 ASSI { 2830} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 2830 spectrum 1 weight 0.11000E+01 volume 0.15254E-02 ppm1 8.498 ppm2 3.725 CV 1 ASSI { 2847} (( segid " " and resid 56 and name HN )) (( segid " " and resid 48 and name HB2 )) 4.800 2.800 1.200 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.41125E-03 ppm1 8.418 ppm2 1.802 CV 1 ASSI { 2856} (( segid " " and resid 58 and name HN )) (( segid " " and resid 73 and name HN )) 4.500 2.500 1.500 peak 2856 spectrum 1 weight 0.11000E+01 volume 0.30858E-03 ppm1 9.651 ppm2 7.743 CV 1 ASSI { 2858} (( segid " " and resid 59 and name HN )) (( segid " " and resid 73 and name HN )) 6.000 4.900 0.000 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.25806E-03 ppm1 6.899 ppm2 7.744 CV 1 ASSI { 2868} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 4.800 2.900 1.200 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.31239E-03 ppm1 9.649 ppm2 8.545 CV 1 ASSI { 2871} (( segid " " and resid 68 and name HN )) (( segid " " and resid 60 and name HA )) 4.400 2.400 1.600 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.28058E-03 ppm1 8.999 ppm2 5.643 CV 1 ASSI { 2872} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 5.400 3.600 0.600 peak 2872 spectrum 1 weight 0.11000E+01 volume 0.22677E-03 ppm1 8.484 ppm2 9.011 CV 1 ASSI { 2873} (( segid " " and resid 69 and name HN )) (( segid " " and resid 92 and name HN )) 5.100 3.200 0.900 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.30837E-03 ppm1 8.473 ppm2 8.752 CV 1 ASSI { 2874} (( segid " " and resid 70 and name HN )) (( segid " " and resid 59 and name HN )) 4.400 2.400 1.600 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.24713E-03 ppm1 8.620 ppm2 6.888 CV 1 ASSI { 2876} (( segid " " and resid 71 and name HN )) (( segid " " and resid 59 and name HN )) 4.400 2.400 1.600 peak 2876 spectrum 1 weight 0.11000E+01 volume 0.18437E-03 ppm1 8.424 ppm2 6.903 CV 1 ASSI { 2880} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HA )) 4.800 2.900 1.200 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.23360E-03 ppm1 8.431 ppm2 4.796 CV 1 ASSI { 2881} (( segid " " and resid 71 and name HN )) (( segid " " and resid 91 and name HA2 )) 3.800 1.800 2.200 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.32170E-03 ppm1 8.420 ppm2 3.480 CV 1 ASSI { 2893} (( segid " " and resid 73 and name HN )) (( segid " " and resid 57 and name HA )) 4.000 2.200 1.700 peak 2893 spectrum 1 weight 0.11000E+01 volume 0.72209E-03 ppm1 7.746 ppm2 4.032 CV 1 ASSI { 2894} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG2 )) 4.900 3.000 1.100 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.54883E-03 ppm1 7.749 ppm2 1.672 CV 1 ASSI { 2898} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HG1 )) 3.400 1.500 1.500 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.51684E-03 ppm1 6.933 ppm2 1.379 CV 1 ASSI { 2899} (( segid " " and resid 74 and name HN )) ( segid " " and resid 73 and name HD2%) 3.400 1.500 1.500 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.32630E-03 ppm1 6.922 ppm2 0.835 CV 1 ASSI { 2904} (( segid " " and resid 84 and name HN )) (( segid " " and resid 108 and name HB2 )) 4.400 4.400 1.600 peak 2904 spectrum 1 weight 0.11000E+01 volume 0.48695E-03 ppm1 8.301 ppm2 2.980 CV 1 OR { 2904} (( segid " " and resid 84 and name HN )) (( segid " " and resid 108 and name HB1 )) ASSI { 2908} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 3.300 1.400 1.400 peak 2908 spectrum 1 weight 0.11000E+01 volume 0.55066E-03 ppm1 8.491 ppm2 4.676 CV 1 ASSI { 2916} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 3.900 1.900 1.900 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.29317E-03 ppm1 8.744 ppm2 4.919 CV 1 ASSI { 2918} (( segid " " and resid 92 and name HN )) (( segid " " and resid 70 and name HA )) 3.900 1.900 1.900 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.30542E-03 ppm1 8.745 ppm2 4.560 CV 1 ASSI { 2923} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HE2 )) 5.600 4.000 0.400 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.37680E-03 ppm1 8.234 ppm2 3.038 CV 1 OR { 2923} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HE1 )) ASSI { 2924} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.200 1.300 1.300 peak 2924 spectrum 1 weight 0.11000E+01 volume 0.23425E-02 ppm1 8.569 ppm2 2.026 CV 1 ASSI { 2932} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.900 3.000 1.100 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.28257E-03 ppm1 9.348 ppm2 3.962 CV 1 ASSI { 2934} (( segid " " and resid 106 and name HN )) (( segid " " and resid 87 and name HA )) 4.100 2.100 1.900 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.24034E-03 ppm1 9.422 ppm2 4.868 CV 1 ASSI { 2936} (( segid " " and resid 107 and name HN )) (( segid " " and resid 136 and name HN )) 4.400 2.400 1.600 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.57124E-03 ppm1 7.677 ppm2 8.834 CV 1 ASSI { 2946} (( segid " " and resid 121 and name HN )) (( segid " " and resid 136 and name HA )) 4.100 2.100 1.900 peak 2946 spectrum 1 weight 0.11000E+01 volume 0.25077E-03 ppm1 8.742 ppm2 4.874 CV 1 ASSI { 2947} (( segid " " and resid 121 and name HN )) (( segid " " and resid 134 and name HA )) 5.200 3.400 0.800 peak 2947 spectrum 1 weight 0.11000E+01 volume 0.22263E-03 ppm1 8.741 ppm2 5.278 CV 1 ASSI { 2949} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB1 )) 5.300 3.600 0.700 peak 2949 spectrum 1 weight 0.11000E+01 volume 0.25337E-03 ppm1 8.551 ppm2 2.963 CV 1 ASSI { 2953} (( segid " " and resid 125 and name HN )) (( segid " " and resid 133 and name HN )) 4.700 2.800 1.300 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.42563E-03 ppm1 8.524 ppm2 8.764 CV 1 ASSI { 2957} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 3.700 1.700 1.700 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.56648E-03 ppm1 7.757 ppm2 4.449 CV 1 ASSI { 2958} (( segid " " and resid 133 and name HN )) (( segid " " and resid 105 and name HB1 )) 5.700 4.100 0.300 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.20931E-03 ppm1 8.791 ppm2 3.032 CV 1 ASSI { 2960} (( segid " " and resid 133 and name HN )) (( segid " " and resid 123 and name HN )) 4.300 2.300 1.700 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.30112E-03 ppm1 8.796 ppm2 8.541 CV 1 ASSI { 2965} (( segid " " and resid 134 and name HN )) (( segid " " and resid 105 and name HN )) 4.700 2.800 1.300 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.28802E-03 ppm1 9.076 ppm2 9.360 CV 1 ASSI { 2968} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HG1 )) 2.800 1.000 1.000 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.26881E-02 ppm1 7.623 ppm2 2.385 CV 1 OR { 2968} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HB2 )) ASSI { 2969} (( segid " " and resid 4 and name HD21)) (( segid " " and resid 4 and name HA )) 4.600 4.600 1.400 peak 2969 spectrum 1 weight 0.11000E+01 volume 0.39547E-03 ppm1 6.953 ppm2 4.796 CV 1 ASSI { 2984} (( segid " " and resid 7 and name HD22)) (( segid " " and resid 7 and name HB1 )) 3.600 3.600 2.400 peak 2984 spectrum 1 weight 0.11000E+01 volume 0.40007E-02 ppm1 7.632 ppm2 2.934 CV 1 ASSI { 2985} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 6 and name HG1 )) 3.300 3.300 2.700 peak 2985 spectrum 1 weight 0.11000E+01 volume 0.45694E-02 ppm1 7.659 ppm2 2.377 CV 1 OR { 2985} (( segid " " and resid 6 and name HE22)) (( segid " " and resid 6 and name HG2 )) ASSI { 2999} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HB2 )) 5.500 3.700 0.500 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.25902E-03 ppm1 8.740 ppm2 2.334 CV 1 ASSI { 3009} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HA )) 4.700 2.700 1.300 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.31541E-03 ppm1 8.644 ppm2 4.169 CV 1 ASSI { 3011} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HD21)) 5.300 3.500 0.700 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.23404E-03 ppm1 8.640 ppm2 7.622 CV 1 ASSI { 3016} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HD1 )) 5.300 3.500 0.700 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.29074E-03 ppm1 8.376 ppm2 3.876 CV 1 ASSI { 3019} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HN )) 5.000 3.200 1.000 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.17262E-03 ppm1 8.049 ppm2 6.957 CV 1 ASSI { 3020} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 3.600 1.600 1.600 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.43910E-03 ppm1 8.807 ppm2 5.038 CV 1 ASSI { 3030} (( segid " " and resid 53 and name HN )) ( segid " " and resid 54 and name HB% ) 4.400 2.500 1.600 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.67146E-03 ppm1 8.167 ppm2 1.438 CV 1 ASSI { 3037} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HB1 )) 5.000 3.200 1.000 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.46744E-03 ppm1 7.519 ppm2 1.823 CV 1 ASSI { 3038} (( segid " " and resid 122 and name HN )) ( segid " " and resid 123 and name HD1%) 4.400 2.400 1.600 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.61437E-03 ppm1 8.795 ppm2 0.682 CV 1 OR { 3038} (( segid " " and resid 122 and name HN )) ( segid " " and resid 123 and name HD2%) ASSI { 3041} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) 3.500 1.500 1.500 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 8.584 ppm2 2.305 CV 1 OR { 3041} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) !!Y88 OH ASSI { 3495} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 88 and name HH )) 3.800 1.800 1.000 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.53946E-03 ppm1 0.865 ppm2 8.321 CV 1 ASSI { 1146} (( segid " " and resid 46 and name HN )) (( segid " " and resid 88 and name HH )) 2.800 1.000 1.500 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.27052E-02 ppm1 4.279 ppm2 8.299 CV 1 ASSI { 2968} (( segid " " and resid 45 and name HA )) (( segid " " and resid 88 and name HH )) 3.000 1.200 1.500 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.27052E-02 ppm1 4.279 ppm2 8.299 CV 1 ASSI { 1567} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 31 and name HN )) 3.400 3.400 2.600 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.17857E-02 ppm1 0.544 ppm2 9.226 CV 1 OR { 1567} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 88 and name HH )) ASSI { 3706} ( segid " " and resid 46 and name HA ) (( segid " " and resid 88 and name HH )) 3.400 3.400 2.600 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.17857E-02 ppm1 0.544 ppm2 9.226 CV 1 ASSI { 1859} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG1 )) 3.100 1.200 1.200 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.54119E-02 ppm1 8.484 ppm2 2.377 CV 1 ASSI { 1881} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.800 1.000 0.700 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.45663E-02 ppm1 8.690 ppm2 4.266 CV 1 ASSI { 1882} (( segid " " and resid 49 and name HN )) (( segid " " and resid 58 and name HA )) 3.200 1.400 1.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.45663E-02 ppm1 8.690 ppm2 4.266 CV 1 ASSI { 2362} (( segid " " and resid 130 and name HN )) ( segid " " and resid 125 and name HE% ) 4.000 2.200 1.500 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.71703E-03 ppm1 7.762 ppm2 7.274 CV 1 ASSI { 2365} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB1 )) 4.500 2.600 1.500 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.48813E-03 ppm1 7.762 ppm2 2.262 CV 1 ASSI { 1234} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HA )) 3.300 1.400 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 0.949 ppm2 4.252 CV 1 ASSI { 1606} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG2 )) 4.100 2.100 1.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.18251E-02 ppm1 4.253 ppm2 2.247 CV 1 ASSI { 3613} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) 3.300 1.500 0.800 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.64552E-03 ppm1 2.296 ppm2 4.387 CV 1 ASSI { 4639} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HD21)) 3.300 1.500 0.800 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.64552E-03 ppm1 2.296 ppm2 7.302 CV 1 ASSI { 4640} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 20 and name HE% )) 3.300 1.500 2.000 peak 4640 spectrum 1 weight 0.10000E+01 volume 0.64552E-03 ppm1 2.296 ppm2 7.302 CV 1 ASSI { 4641} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HN )) 3.000 1.200 1.000 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.64552E-03 ppm1 2.296 ppm2 7.302 CV 1 ASSI { 4645} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 20 and name HE% )) 3.800 1.500 2.000 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.64552E-03 ppm1 2.296 ppm2 7.302 CV 1 ASSI { 4375} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 96 and name HN )) 4.100 2.100 1.900 peak 4375 spectrum 1 weight 0.10000E+01 volume 0.74974E-03 ppm1 2.239 ppm2 7.086 CV 1 ASSI { 4376} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 96 and name HN )) 4.900 3.000 1.100 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.65214E-03 ppm1 2.138 ppm2 7.081 CV 1 ASSI { 1392} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HA )) 3.900 1.900 1.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.68698E-03 ppm1 7.072 ppm2 4.265 CV 1 ASSI { 1548} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 3.600 1.600 1.600 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.16651E-02 ppm1 8.564 ppm2 4.361 CV 1 ASSI { 3056} (( segid " " and resid 12 and name HA )) ( segid " " and resid 11 and name HG1%) 3.500 1.500 1.500 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.13411E-02 ppm1 5.502 ppm2 0.678 CV 1 ASSI { 3557} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 86 and name HD2%) 2.200 0.600 0.600 peak 3557 spectrum 1 weight 0.10000E+01 volume 0.19071E-01 ppm1 0.513 ppm2 0.676 CV 1 ASSI { 4170} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 11 and name HN )) 5.000 3.200 1.000 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.43670E-03 ppm1 0.435 ppm2 8.853 CV 1 ASSI { 2436} (( segid " " and resid 13 and name HN )) ( segid " " and resid 11 and name HG2%) 5.000 3.200 1.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.37668E-03 ppm1 8.215 ppm2 1.278 CV 1 ASSI { 2808} (( segid " " and resid 19 and name HA )) ( segid " " and resid 12 and name HG2%) 3.400 1.500 1.500 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.10852E-02 ppm1 4.252 ppm2 0.861 CV 1 ASSI { 3049} (( segid " " and resid 12 and name HA )) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.20457E-02 ppm1 5.494 ppm2 4.258 CV 1 ASSI { 2444} (( segid " " and resid 18 and name HN )) (( segid " " and resid 13 and name HD21)) 5.300 3.500 0.700 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.33768E-03 ppm1 7.874 ppm2 7.322 CV 1 ASSI { 3036} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HB1 )) 4.800 2.900 1.200 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.39448E-03 ppm1 9.127 ppm2 3.092 CV 1 ASSI { 2563} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 91 and name HA1 )) 2.200 0.600 0.600 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 3.460 ppm2 4.047 CV 1 ASSI { 3593} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HN )) 4.100 2.100 1.900 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.79760E-03 ppm1 2.213 ppm2 9.128 CV 1 ASSI { 3595} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 89 and name HN )) 3.300 1.500 0.800 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.12355E-02 ppm1 2.290 ppm2 9.135 CV 1 ASSI { 1736} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) 3.000 1.200 1.200 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.20856E-02 ppm1 9.120 ppm2 2.119 CV 1 ASSI { 1371} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HA )) 2.200 0.600 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.15984E-01 ppm1 1.250 ppm2 3.996 CV 1 ASSI { 1374} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HB )) 2.200 0.600 0.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.81513E-02 ppm1 1.268 ppm2 2.245 CV 1 ASSI { 2953} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG1 )) 2.800 1.000 1.000 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.31052E-02 ppm1 4.015 ppm2 2.395 CV 1 OR { 2953} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG2 )) ASSI { 1201} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 3.300 1.300 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.16328E-02 ppm1 8.167 ppm2 3.627 CV 1 ASSI { 1205} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.800 1.000 0.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.74606E-02 ppm1 8.167 ppm2 2.112 CV 1 ASSI { 3168} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 67 and name HG2%) 3.600 1.600 1.400 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.15680E-02 ppm1 3.958 ppm2 1.073 CV 1 ASSI { 3169} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 67 and name HG2%) 3.500 1.600 1.600 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.16715E-02 ppm1 3.816 ppm2 1.074 CV 1 ASSI { 3612} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 72 and name HA )) 4.400 2.400 1.600 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.55005E-03 ppm1 3.281 ppm2 4.495 CV 1
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