NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
8289 | 1ly7 | 4342 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.100 2.100 3.400 peak 2 weight 0.10000E+01 volume 0.86900E+05 ppm1 8.203 ppm2 4.752 ASSI { 3} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HG2%) 2.800 1.000 1.000 peak 3 weight 0.10000E+01 volume 0.13640E+05 ppm1 8.206 ppm2 1.263 ASSI { 5} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.100 2.100 3.400 peak 5 weight 0.10000E+01 volume 0.78170E+05 ppm1 8.253 ppm2 4.193 ASSI { 7} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.700 0.900 0.900 peak 7 weight 0.10000E+01 volume 0.20050E+05 ppm1 8.370 ppm2 3.468 ASSI { 9} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.500 0.800 0.800 peak 9 weight 0.10000E+01 volume 0.27640E+05 ppm1 7.349 ppm2 4.068 ASSI { 10} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.500 0.800 0.800 peak 10 weight 0.10000E+01 volume 0.32500E+05 ppm1 7.964 ppm2 3.705 ASSI { 11} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 11 weight 0.10000E+01 volume 0.17130E+05 ppm1 9.171 ppm2 3.616 ASSI { 12} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.600 0.800 0.800 peak 12 weight 0.10000E+01 volume 0.26420E+05 ppm1 8.129 ppm2 3.939 ASSI { 13} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.600 0.800 0.800 peak 13 weight 0.10000E+01 volume 0.25740E+05 ppm1 8.404 ppm2 4.165 ASSI { 14} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.600 0.800 0.800 peak 14 weight 0.10000E+01 volume 0.21020E+05 ppm1 8.172 ppm2 3.944 ASSI { 15} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 15 weight 0.10000E+01 volume 0.13980E+05 ppm1 8.460 ppm2 3.816 ASSI { 16} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 16 weight 0.10000E+01 volume 0.25800E+05 ppm1 9.038 ppm2 4.280 ASSI { 17} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.500 0.800 0.800 peak 17 weight 0.10000E+01 volume 0.27800E+05 ppm1 7.280 ppm2 4.334 ASSI { 18} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 18 weight 0.10000E+01 volume 0.19060E+05 ppm1 7.523 ppm2 3.997 ASSI { 19} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.600 0.800 0.800 peak 19 weight 0.10000E+01 volume 0.25030E+05 ppm1 8.900 ppm2 3.757 ASSI { 20} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.600 0.800 0.800 peak 20 weight 0.10000E+01 volume 0.25930E+05 ppm1 7.751 ppm2 3.979 ASSI { 22} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 22 weight 0.10000E+01 volume 0.30500E+05 ppm1 8.781 ppm2 4.128 ASSI { 23} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.500 0.800 0.800 peak 23 weight 0.10000E+01 volume 0.28310E+05 ppm1 9.233 ppm2 4.229 ASSI { 24} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.300 0.700 0.700 peak 24 weight 0.10000E+01 volume 0.54380E+05 ppm1 7.733 ppm2 4.412 ASSI { 25} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.500 0.800 0.800 peak 25 weight 0.10000E+01 volume 0.28180E+05 ppm1 7.227 ppm2 3.818 ASSI { 26} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 26 weight 0.10000E+01 volume 0.32130E+05 ppm1 7.230 ppm2 3.619 ASSI { 27} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 27 weight 0.10000E+01 volume 0.38220E+05 ppm1 7.485 ppm2 4.577 ASSI { 28} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.600 0.800 0.800 peak 28 weight 0.10000E+01 volume 0.21500E+05 ppm1 7.008 ppm2 4.238 ASSI { 29} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 29 weight 0.10000E+01 volume 0.27540E+05 ppm1 5.880 ppm2 4.572 ASSI { 31} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.500 0.800 0.800 peak 31 weight 0.10000E+01 volume 0.31270E+05 ppm1 8.991 ppm2 4.778 ASSI { 32} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.400 0.700 0.700 peak 32 weight 0.10000E+01 volume 0.37130E+05 ppm1 9.283 ppm2 4.204 ASSI { 33} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.500 0.800 0.800 peak 33 weight 0.10000E+01 volume 0.31310E+05 ppm1 9.210 ppm2 4.644 ASSI { 34} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 34 weight 0.10000E+01 volume 0.32400E+05 ppm1 7.274 ppm2 4.609 ASSI { 35} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.700 0.900 0.900 peak 35 weight 0.10000E+01 volume 0.20280E+05 ppm1 8.823 ppm2 4.777 ASSI { 36} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 36 weight 0.10000E+01 volume 0.29630E+05 ppm1 8.193 ppm2 4.651 ASSI { 37} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 37 weight 0.10000E+01 volume 0.20410E+05 ppm1 8.882 ppm2 4.841 ASSI { 38} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.900 1.100 1.100 peak 38 weight 0.10000E+01 volume 0.12260E+05 ppm1 9.014 ppm2 5.939 ASSI { 39} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA1 )) 2.700 0.900 0.900 peak 39 weight 0.10000E+01 volume 0.17790E+05 ppm1 8.135 ppm2 3.893 ASSI { 40} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA2 )) 2.700 0.900 0.900 peak 40 weight 0.10000E+01 volume 0.17160E+05 ppm1 8.135 ppm2 3.762 ASSI { 41} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA1 )) 2.800 1.000 1.000 peak 41 weight 0.10000E+01 volume 0.14930E+05 ppm1 8.703 ppm2 4.061 ASSI { 42} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA2 )) 2.600 0.800 0.800 peak 42 weight 0.10000E+01 volume 0.21370E+05 ppm1 8.703 ppm2 3.513 ASSI { 43} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 43 weight 0.10000E+01 volume 0.19770E+05 ppm1 7.690 ppm2 4.508 ASSI { 44} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 3.000 1.100 1.100 peak 44 weight 0.10000E+01 volume 0.10030E+05 ppm1 9.242 ppm2 5.042 ASSI { 45} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.900 1.100 1.100 peak 45 weight 0.10000E+01 volume 0.11840E+05 ppm1 9.169 ppm2 4.279 ASSI { 46} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 46 weight 0.10000E+01 volume 0.16610E+05 ppm1 8.897 ppm2 4.572 ASSI { 47} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 47 weight 0.10000E+01 volume 0.21020E+05 ppm1 8.492 ppm2 4.430 ASSI { 49} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA2 )) 2.400 0.700 0.700 peak 49 weight 0.10000E+01 volume 0.43130E+05 ppm1 7.567 ppm2 3.334 ASSI { 50} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA1 )) 2.300 0.700 0.700 peak 50 weight 0.10000E+01 volume 0.46020E+05 ppm1 9.157 ppm2 3.538 ASSI { 51} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 51 weight 0.10000E+01 volume 0.31900E+05 ppm1 8.386 ppm2 4.190 ASSI { 52} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA1 )) 2.600 0.800 0.800 peak 52 weight 0.10000E+01 volume 0.22560E+05 ppm1 8.043 ppm2 4.089 ASSI { 53} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA2 )) 2.400 0.700 0.700 peak 53 weight 0.10000E+01 volume 0.36810E+05 ppm1 8.040 ppm2 3.742 ASSI { 54} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.900 1.100 1.100 peak 54 weight 0.10000E+01 volume 0.12070E+05 ppm1 7.932 ppm2 5.347 ASSI { 55} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 55 weight 0.10000E+01 volume 0.10410E+05 ppm1 9.334 ppm2 4.990 ASSI { 57} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.500 0.800 0.800 peak 57 weight 0.10000E+01 volume 0.28500E+05 ppm1 7.924 ppm2 4.953 ASSI { 58} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 58 weight 0.10000E+01 volume 0.92600E+04 ppm1 9.702 ppm2 5.237 ASSI { 59} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 3.300 1.400 1.400 peak 59 weight 0.10000E+01 volume 0.58010E+04 ppm1 9.623 ppm2 5.816 ASSI { 60} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.100 1.100 peak 60 weight 0.10000E+01 volume 0.12000E+05 ppm1 8.443 ppm2 4.105 ASSI { 61} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 61 weight 0.10000E+01 volume 0.89300E+04 ppm1 7.809 ppm2 4.418 ASSI { 63} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.600 0.800 0.800 peak 63 weight 0.10000E+01 volume 0.25160E+05 ppm1 7.014 ppm2 4.753 ASSI { 65} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 65 weight 0.10000E+01 volume 0.68610E+04 ppm1 7.140 ppm2 5.776 ASSI { 66} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 66 weight 0.10000E+01 volume 0.70670E+04 ppm1 8.536 ppm2 4.632 ASSI { 67} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 3.300 1.400 1.400 peak 67 weight 0.10000E+01 volume 0.59370E+04 ppm1 9.500 ppm2 5.674 ASSI { 68} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 68 weight 0.10000E+01 volume 0.10700E+05 ppm1 8.717 ppm2 5.368 ASSI { 69} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 3.300 1.400 1.400 peak 69 weight 0.10000E+01 volume 0.53020E+04 ppm1 9.268 ppm2 4.493 ASSI { 70} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 70 weight 0.10000E+01 volume 0.67160E+04 ppm1 7.567 ppm2 4.842 ASSI { 71} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.600 0.800 0.800 peak 71 weight 0.10000E+01 volume 0.22820E+05 ppm1 7.835 ppm2 4.613 ASSI { 73} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 3.300 1.400 1.400 peak 73 weight 0.10000E+01 volume 0.55760E+04 ppm1 8.239 ppm2 4.678 ASSI { 74} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA1 )) 2.500 0.800 0.800 peak 74 weight 0.10000E+01 volume 0.29130E+05 ppm1 7.945 ppm2 4.383 ASSI { 75} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA2 )) 2.400 0.700 0.700 peak 75 weight 0.10000E+01 volume 0.36310E+05 ppm1 7.940 ppm2 3.928 ASSI { 77} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 3.100 1.200 1.200 peak 77 weight 0.10000E+01 volume 0.83730E+04 ppm1 6.372 ppm2 4.731 ASSI { 78} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 2.600 0.800 0.800 peak 78 weight 0.10000E+01 volume 0.24390E+05 ppm1 9.596 ppm2 4.678 ASSI { 79} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 3.100 1.200 1.200 peak 79 weight 0.10000E+01 volume 0.86570E+04 ppm1 8.939 ppm2 5.705 ASSI { 81} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 2.900 1.100 1.100 peak 81 weight 0.10000E+01 volume 0.11440E+05 ppm1 9.295 ppm2 4.717 ASSI { 83} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 3.000 1.100 1.100 peak 83 weight 0.10000E+01 volume 0.93730E+04 ppm1 6.670 ppm2 4.165 ASSI { 84} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.900 1.100 1.100 peak 84 weight 0.10000E+01 volume 0.12200E+05 ppm1 6.608 ppm2 4.559 ASSI { 85} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 3.200 1.300 1.300 peak 85 weight 0.10000E+01 volume 0.62910E+04 ppm1 9.018 ppm2 5.764 ASSI { 87} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 87 weight 0.10000E+01 volume 0.80210E+04 ppm1 9.610 ppm2 4.887 ASSI { 88} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 3.100 1.200 1.200 peak 88 weight 0.10000E+01 volume 0.76460E+04 ppm1 7.935 ppm2 5.201 ASSI { 89} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 89 weight 0.10000E+01 volume 0.19830E+05 ppm1 9.451 ppm2 3.856 OR { 89} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB3 )) ASSI { 90} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 3.000 1.100 1.100 peak 90 weight 0.10000E+01 volume 0.97590E+04 ppm1 5.937 ppm2 4.066 ASSI { 91} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 91 weight 0.10000E+01 volume 0.20410E+05 ppm1 6.771 ppm2 4.703 ASSI { 92} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.600 0.800 0.800 peak 92 weight 0.10000E+01 volume 0.26220E+05 ppm1 8.699 ppm2 4.114 ASSI { 93} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 93 weight 0.10000E+01 volume 0.91460E+04 ppm1 9.254 ppm2 5.594 ASSI { 95} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 95 weight 0.10000E+01 volume 0.16320E+05 ppm1 8.310 ppm2 3.538 ASSI { 96} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.500 0.800 0.800 peak 96 weight 0.10000E+01 volume 0.27030E+05 ppm1 7.626 ppm2 3.635 ASSI { 97} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.500 0.800 0.800 peak 97 weight 0.10000E+01 volume 0.28680E+05 ppm1 8.243 ppm2 3.998 ASSI { 98} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.500 0.800 0.800 peak 98 weight 0.10000E+01 volume 0.30540E+05 ppm1 8.504 ppm2 4.205 ASSI { 99} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.600 0.800 0.800 peak 99 weight 0.10000E+01 volume 0.24460E+05 ppm1 8.145 ppm2 3.799 ASSI { 100} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.400 0.700 0.700 peak 100 weight 0.10000E+01 volume 0.37180E+05 ppm1 7.975 ppm2 3.707 ASSI { 101} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 2.600 0.800 0.800 peak 101 weight 0.10000E+01 volume 0.22820E+05 ppm1 8.910 ppm2 4.080 ASSI { 104} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.200 2.200 3.300 peak 104 weight 0.10000E+01 volume 0.60350E+05 ppm1 7.058 ppm2 4.055 ASSI { 105} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.100 1.100 peak 105 weight 0.10000E+01 volume 0.11140E+05 ppm1 8.263 ppm2 3.833 ASSI { 106} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.600 0.800 0.800 peak 106 weight 0.10000E+01 volume 0.21210E+05 ppm1 8.681 ppm2 4.371 ASSI { 107} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.100 0.600 0.600 peak 107 weight 0.10000E+01 volume 0.91400E+05 ppm1 7.486 ppm2 3.878 ASSI { 108} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.400 0.700 0.700 peak 108 weight 0.10000E+01 volume 0.39220E+05 ppm1 7.368 ppm2 4.191 ASSI { 109} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 109 weight 0.10000E+01 volume 0.31180E+05 ppm1 7.958 ppm2 4.085 ASSI { 110} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 110 weight 0.10000E+01 volume 0.14110E+05 ppm1 8.084 ppm2 4.630 ASSI { 111} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.100 0.600 0.600 peak 111 weight 0.10000E+01 volume 0.94870E+05 ppm1 8.293 ppm2 4.630 ASSI { 112} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 3.000 1.100 1.100 peak 112 weight 0.10000E+01 volume 0.10520E+05 ppm1 8.123 ppm2 4.194 ASSI { 113} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.500 0.800 0.800 peak 113 weight 0.10000E+01 volume 0.28540E+05 ppm1 8.358 ppm2 3.895 ASSI { 114} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.700 0.900 0.900 peak 114 weight 0.10000E+01 volume 0.16930E+05 ppm1 8.293 ppm2 4.187 ASSI { 115} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.600 0.800 0.800 peak 115 weight 0.10000E+01 volume 0.23590E+05 ppm1 7.031 ppm2 4.063 ASSI { 116} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB )) 2.800 1.000 1.000 peak 116 weight 0.10000E+01 volume 0.15290E+05 ppm1 8.297 ppm2 4.344 ASSI { 118} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.300 0.700 0.700 peak 118 weight 0.10000E+01 volume 0.49680E+05 ppm1 8.436 ppm2 4.138 ASSI { 119} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 119 weight 0.10000E+01 volume 0.18200E+05 ppm1 7.494 ppm2 3.378 ASSI { 120} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA1 )) 2.700 0.900 0.900 peak 120 weight 0.10000E+01 volume 0.20860E+05 ppm1 8.866 ppm2 4.098 ASSI { 121} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA2 )) 2.400 0.700 0.700 peak 121 weight 0.10000E+01 volume 0.33810E+05 ppm1 8.871 ppm2 3.489 ASSI { 122} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.600 0.800 0.800 peak 122 weight 0.10000E+01 volume 0.21950E+05 ppm1 8.567 ppm2 4.501 ASSI { 123} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 123 weight 0.10000E+01 volume 0.18060E+05 ppm1 7.738 ppm2 4.070 ASSI { 124} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.900 1.100 1.100 peak 124 weight 0.10000E+01 volume 0.11380E+05 ppm1 8.670 ppm2 4.462 ASSI { 125} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA1 )) 2.500 0.800 0.800 peak 125 weight 0.10000E+01 volume 0.32130E+05 ppm1 8.662 ppm2 4.075 ASSI { 126} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA2 )) 2.400 0.700 0.700 peak 126 weight 0.10000E+01 volume 0.36680E+05 ppm1 8.669 ppm2 3.563 ASSI { 127} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 127 weight 0.10000E+01 volume 0.95780E+04 ppm1 9.607 ppm2 5.319 ASSI { 132} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB3 )) 2.700 0.900 0.900 peak 132 weight 0.10000E+01 volume 0.19000E+05 ppm1 8.158 ppm2 3.027 ASSI { 133} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.600 0.800 0.800 peak 133 weight 0.10000E+01 volume 0.23100E+05 ppm1 8.158 ppm2 3.844 ASSI { 135} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB3 )) 2.300 0.700 0.700 peak 135 weight 0.10000E+01 volume 0.50130E+05 ppm1 7.350 ppm2 1.856 OR { 135} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 136} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.500 0.800 0.800 peak 136 weight 0.10000E+01 volume 0.26480E+05 ppm1 7.971 ppm2 1.244 ASSI { 137} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB3 )) 2.900 1.100 1.100 peak 137 weight 0.10000E+01 volume 0.11710E+05 ppm1 7.959 ppm2 0.447 ASSI { 139} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB3 )) 2.300 0.700 0.700 peak 139 weight 0.10000E+01 volume 0.50780E+05 ppm1 8.128 ppm2 2.145 ASSI { 140} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.400 0.700 0.700 peak 140 weight 0.10000E+01 volume 0.34500E+05 ppm1 8.413 ppm2 2.390 ASSI { 141} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB3 )) 2.900 1.100 1.100 peak 141 weight 0.10000E+01 volume 0.13380E+05 ppm1 8.410 ppm2 2.199 ASSI { 142} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB )) 3.200 1.300 1.300 peak 142 weight 0.10000E+01 volume 0.72600E+04 ppm1 8.170 ppm2 4.177 ASSI { 143} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.700 0.900 0.900 peak 143 weight 0.10000E+01 volume 0.20410E+05 ppm1 8.464 ppm2 1.985 ASSI { 144} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) 2.900 1.100 1.100 peak 144 weight 0.10000E+01 volume 0.11040E+05 ppm1 8.462 ppm2 1.418 ASSI { 147} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.600 0.800 0.800 peak 147 weight 0.10000E+01 volume 0.25740E+05 ppm1 7.275 ppm2 4.255 ASSI { 148} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 148 weight 0.10000E+01 volume 0.30540E+05 ppm1 7.525 ppm2 1.892 ASSI { 149} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB3 )) 2.900 1.100 1.100 peak 149 weight 0.10000E+01 volume 0.12530E+05 ppm1 7.524 ppm2 1.171 ASSI { 154} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB3 )) 2.500 0.800 0.800 peak 154 weight 0.10000E+01 volume 0.28360E+05 ppm1 8.780 ppm2 2.805 ASSI { 158} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 158 weight 0.10000E+01 volume 0.36540E+05 ppm1 7.227 ppm2 1.587 ASSI { 159} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB3 )) 2.700 0.900 0.900 peak 159 weight 0.10000E+01 volume 0.19220E+05 ppm1 7.227 ppm2 1.233 ASSI { 170} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 2.700 0.900 0.900 peak 170 weight 0.10000E+01 volume 0.19220E+05 ppm1 9.204 ppm2 2.919 ASSI { 171} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB3 )) 2.800 1.000 1.000 peak 171 weight 0.10000E+01 volume 0.13640E+05 ppm1 9.203 ppm2 2.609 ASSI { 176} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.600 0.800 0.800 peak 176 weight 0.10000E+01 volume 0.23040E+05 ppm1 8.901 ppm2 1.806 OR { 176} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB3 )) ASSI { 182} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 2.300 2.300 3.200 peak 182 weight 0.10000E+01 volume 0.53730E+05 ppm1 7.942 ppm2 3.711 ASSI { 189} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB3 )) 3.200 1.300 1.300 peak 189 weight 0.10000E+01 volume 0.68610E+04 ppm1 7.908 ppm2 1.673 OR { 189} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 191} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.000 1.100 1.100 peak 191 weight 0.10000E+01 volume 0.91690E+04 ppm1 9.494 ppm2 3.379 OR { 191} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 193} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.600 2.600 2.900 peak 193 weight 0.10000E+01 volume 0.21340E+05 ppm1 7.568 ppm2 4.147 ASSI { 194} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB3 )) 2.900 1.100 1.100 peak 194 weight 0.10000E+01 volume 0.11990E+05 ppm1 7.848 ppm2 3.660 ASSI { 195} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.100 1.200 1.200 peak 195 weight 0.10000E+01 volume 0.87820E+04 ppm1 8.231 ppm2 4.015 ASSI { 196} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB3 )) 3.200 1.300 1.300 peak 196 weight 0.10000E+01 volume 0.71690E+04 ppm1 8.227 ppm2 3.601 ASSI { 197} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB3 )) 3.100 1.200 1.200 peak 197 weight 0.10000E+01 volume 0.85780E+04 ppm1 6.381 ppm2 1.404 ASSI { 201} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.100 1.200 1.200 peak 201 weight 0.10000E+01 volume 0.80550E+04 ppm1 6.675 ppm2 1.447 OR { 201} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB3 )) ASSI { 203} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB3 )) 3.100 1.200 1.200 peak 203 weight 0.10000E+01 volume 0.81570E+04 ppm1 9.020 ppm2 3.210 ASSI { 206} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.100 1.200 1.200 peak 206 weight 0.10000E+01 volume 0.86460E+04 ppm1 6.767 ppm2 3.035 ASSI { 207} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB3 )) 2.900 1.100 1.100 peak 207 weight 0.10000E+01 volume 0.11230E+05 ppm1 6.767 ppm2 2.456 ASSI { 209} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.500 0.800 0.800 peak 209 weight 0.10000E+01 volume 0.31810E+05 ppm1 7.621 ppm2 2.855 OR { 209} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) ASSI { 217} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) 2.300 0.700 0.700 peak 217 weight 0.10000E+01 volume 0.47560E+05 ppm1 8.145 ppm2 1.677 ASSI { 218} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB3 )) 2.600 0.800 0.800 peak 218 weight 0.10000E+01 volume 0.23520E+05 ppm1 8.145 ppm2 0.985 ASSI { 219} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HB% ) 2.100 0.600 0.600 peak 219 weight 0.10000E+01 volume 0.81110E+05 ppm1 7.980 ppm2 1.593 ASSI { 223} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 2.200 0.600 0.600 peak 223 weight 0.10000E+01 volume 0.72260E+05 ppm1 7.071 ppm2 1.894 OR { 223} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) ASSI { 228} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB3 )) 2.800 2.800 2.700 peak 228 weight 0.10000E+01 volume 0.13640E+05 ppm1 7.475 ppm2 1.899 ASSI { 229} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB )) 2.800 1.000 1.000 peak 229 weight 0.10000E+01 volume 0.13790E+05 ppm1 7.361 ppm2 3.153 ASSI { 231} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.400 0.700 0.700 peak 231 weight 0.10000E+01 volume 0.37180E+05 ppm1 8.073 ppm2 1.509 ASSI { 232} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 232 weight 0.10000E+01 volume 0.16540E+05 ppm1 8.073 ppm2 1.213 ASSI { 233} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.400 1.400 1.400 peak 233 weight 0.10000E+01 volume 0.47090E+04 ppm1 8.115 ppm2 2.035 ASSI { 234} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.600 0.800 0.800 peak 234 weight 0.10000E+01 volume 0.25840E+05 ppm1 8.346 ppm2 3.821 OR { 234} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB3 )) ASSI { 237} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB3 )) 2.200 0.600 0.600 peak 237 weight 0.10000E+01 volume 0.70260E+05 ppm1 7.024 ppm2 1.580 ASSI { 244} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.100 1.200 1.200 peak 244 weight 0.10000E+01 volume 0.81690E+04 ppm1 8.434 ppm2 3.581 OR { 244} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB3 )) ASSI { 247} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB2 )) 2.700 0.900 0.900 peak 247 weight 0.10000E+01 volume 0.19560E+05 ppm1 7.971 ppm2 1.753 ASSI { 251} (( segid " " and resid 130 and name HN )) ( segid " " and resid 130 and name HB% ) 2.600 0.800 0.800 peak 251 weight 0.10000E+01 volume 0.21690E+05 ppm1 7.724 ppm2 1.247 ASSI { 252} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 2.500 0.800 0.800 peak 252 weight 0.10000E+01 volume 0.30000E+05 ppm1 8.206 ppm2 4.194 ASSI { 253} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 253 weight 0.10000E+01 volume 0.32860E+05 ppm1 7.009 ppm2 1.187 ASSI { 254} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB3 )) 2.600 2.600 2.900 peak 254 weight 0.10000E+01 volume 0.22040E+05 ppm1 7.015 ppm2 0.533 ASSI { 258} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.200 1.300 1.300 peak 258 weight 0.10000E+01 volume 0.66440E+04 ppm1 8.672 ppm2 2.120 OR { 258} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB3 )) ASSI { 262} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.000 1.100 1.100 peak 262 weight 0.10000E+01 volume 0.91800E+04 ppm1 8.199 ppm2 2.769 ASSI { 265} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.000 1.100 1.100 peak 265 weight 0.10000E+01 volume 0.10040E+05 ppm1 8.205 ppm2 2.132 OR { 265} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB3 )) ASSI { 266} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG3 )) 3.000 1.100 1.100 peak 266 weight 0.10000E+01 volume 0.10430E+05 ppm1 8.205 ppm2 2.430 ASSI { 271} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.000 1.100 1.100 peak 271 weight 0.10000E+01 volume 0.93390E+04 ppm1 8.839 ppm2 2.145 OR { 271} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 273} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.600 0.800 0.800 peak 273 weight 0.10000E+01 volume 0.21920E+05 ppm1 8.206 ppm2 2.145 OR { 273} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 274} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 274 weight 0.10000E+01 volume 0.24740E+05 ppm1 8.212 ppm2 4.036 ASSI { 275} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB )) 2.500 0.800 0.800 peak 275 weight 0.10000E+01 volume 0.30400E+05 ppm1 8.253 ppm2 4.070 ASSI { 277} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.700 0.900 0.900 peak 277 weight 0.10000E+01 volume 0.17520E+05 ppm1 8.158 ppm2 3.190 ASSI { 279} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) 3.100 1.200 1.200 peak 279 weight 0.10000E+01 volume 0.74760E+04 ppm1 8.158 ppm2 3.962 ASSI { 280} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD% ) 3.100 1.200 1.200 peak 280 weight 0.10000E+01 volume 0.75440E+04 ppm1 8.159 ppm2 7.140 ASSI { 281} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB3 )) 2.800 1.000 1.000 peak 281 weight 0.10000E+01 volume 0.15910E+05 ppm1 8.364 ppm2 2.002 OR { 281} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 282} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG3 )) 2.500 0.800 0.800 peak 282 weight 0.10000E+01 volume 0.32810E+05 ppm1 8.364 ppm2 2.117 ASSI { 283} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG2 )) 2.500 0.800 0.800 peak 283 weight 0.10000E+01 volume 0.29360E+05 ppm1 8.364 ppm2 2.405 ASSI { 284} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 284 weight 0.10000E+01 volume 0.64190E+04 ppm1 8.361 ppm2 3.846 ASSI { 285} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.000 1.100 1.100 peak 285 weight 0.10000E+01 volume 0.99940E+04 ppm1 8.364 ppm2 4.038 ASSI { 287} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HD% ) 3.000 1.100 1.100 peak 287 weight 0.10000E+01 volume 0.10720E+05 ppm1 8.359 ppm2 7.160 ASSI { 288} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 288 weight 0.10000E+01 volume 0.17160E+05 ppm1 8.356 ppm2 7.365 ASSI { 290} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB3 )) 2.800 1.000 1.000 peak 290 weight 0.10000E+01 volume 0.13750E+05 ppm1 7.354 ppm2 1.997 OR { 290} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 291} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG3 )) 2.900 2.900 2.600 peak 291 weight 0.10000E+01 volume 0.13460E+05 ppm1 7.350 ppm2 2.119 ASSI { 292} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 3.300 3.300 2.200 peak 292 weight 0.10000E+01 volume 0.61220E+04 ppm1 7.350 ppm2 2.430 ASSI { 293} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 293 weight 0.10000E+01 volume 0.56000E+04 ppm1 7.349 ppm2 3.468 ASSI { 294} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 294 weight 0.10000E+01 volume 0.15340E+05 ppm1 7.349 ppm2 7.942 ASSI { 297} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.100 3.100 2.400 peak 297 weight 0.10000E+01 volume 0.78510E+04 ppm1 7.350 ppm2 1.704 ASSI { 298} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG3 )) 3.300 1.400 1.400 peak 298 weight 0.10000E+01 volume 0.53750E+04 ppm1 7.350 ppm2 1.574 ASSI { 301} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HB3 )) 3.000 1.100 1.100 peak 301 weight 0.10000E+01 volume 0.10320E+05 ppm1 8.205 ppm2 4.118 ASSI { 305} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HD1%) 3.300 1.400 1.400 peak 305 weight 0.10000E+01 volume 0.52380E+04 ppm1 7.959 ppm2 -0.159 ASSI { 306} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HD2%) 3.300 1.400 1.400 peak 306 weight 0.10000E+01 volume 0.57440E+04 ppm1 7.959 ppm2 -0.603 ASSI { 308} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 308 weight 0.10000E+01 volume 0.66200E+04 ppm1 7.964 ppm2 3.837 ASSI { 309} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.300 1.400 1.400 peak 309 weight 0.10000E+01 volume 0.56560E+04 ppm1 7.964 ppm2 4.046 ASSI { 311} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG3 )) 2.400 2.400 3.100 peak 311 weight 0.10000E+01 volume 0.35680E+05 ppm1 7.961 ppm2 1.578 ASSI { 312} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.100 1.200 1.200 peak 312 weight 0.10000E+01 volume 0.74760E+04 ppm1 7.961 ppm2 1.722 ASSI { 313} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB3 )) 2.500 0.800 0.800 peak 313 weight 0.10000E+01 volume 0.29860E+05 ppm1 7.961 ppm2 1.865 OR { 313} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 314} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 314 weight 0.10000E+01 volume 0.16360E+05 ppm1 7.964 ppm2 9.178 ASSI { 316} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 316 weight 0.10000E+01 volume 0.17560E+05 ppm1 9.171 ppm2 8.120 ASSI { 317} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HB% ) 2.300 0.700 0.700 peak 317 weight 0.10000E+01 volume 0.51420E+05 ppm1 9.171 ppm2 0.742 ASSI { 318} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.700 0.900 0.900 peak 318 weight 0.10000E+01 volume 0.17610E+05 ppm1 9.178 ppm2 1.252 ASSI { 320} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB3 )) 3.200 1.300 1.300 peak 320 weight 0.10000E+01 volume 0.71350E+04 ppm1 9.171 ppm2 0.455 ASSI { 321} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 321 weight 0.10000E+01 volume 0.10940E+05 ppm1 8.128 ppm2 4.066 ASSI { 322} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.400 1.400 1.400 peak 322 weight 0.10000E+01 volume 0.45950E+04 ppm1 8.125 ppm2 3.615 ASSI { 323} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.900 1.100 1.100 peak 323 weight 0.10000E+01 volume 0.13190E+05 ppm1 8.128 ppm2 2.278 ASSI { 324} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG3 )) 3.000 1.100 1.100 peak 324 weight 0.10000E+01 volume 0.10540E+05 ppm1 8.127 ppm2 2.417 OR { 324} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 326} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HB% ) 2.600 0.800 0.800 peak 326 weight 0.10000E+01 volume 0.23230E+05 ppm1 8.129 ppm2 0.745 ASSI { 329} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG3 )) 2.600 2.600 2.900 peak 329 weight 0.10000E+01 volume 0.24490E+05 ppm1 8.419 ppm2 2.710 OR { 329} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 330} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 330 weight 0.10000E+01 volume 0.14660E+05 ppm1 8.415 ppm2 3.946 ASSI { 331} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 2.600 0.800 0.800 peak 331 weight 0.10000E+01 volume 0.24650E+05 ppm1 8.416 ppm2 8.138 ASSI { 332} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG1 )) 2.400 0.700 0.700 peak 332 weight 0.10000E+01 volume 0.38400E+05 ppm1 8.181 ppm2 5.571 ASSI { 333} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.600 0.800 0.800 peak 333 weight 0.10000E+01 volume 0.26160E+05 ppm1 8.172 ppm2 8.447 ASSI { 334} (( segid " " and resid 22 and name HN )) ( segid " " and resid 125 and name HE% ) 3.300 1.400 1.400 peak 334 weight 0.10000E+01 volume 0.58570E+04 ppm1 8.172 ppm2 6.958 ASSI { 336} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.900 1.100 1.100 peak 336 weight 0.10000E+01 volume 0.13110E+05 ppm1 8.172 ppm2 2.388 ASSI { 337} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB3 )) 3.000 1.100 1.100 peak 337 weight 0.10000E+01 volume 0.10400E+05 ppm1 8.172 ppm2 2.192 ASSI { 338} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HG2%) 3.000 1.100 1.100 peak 338 weight 0.10000E+01 volume 0.10510E+05 ppm1 8.172 ppm2 1.121 ASSI { 339} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 339 weight 0.10000E+01 volume 0.90550E+04 ppm1 8.172 ppm2 3.628 ASSI { 340} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.900 1.100 1.100 peak 340 weight 0.10000E+01 volume 0.12720E+05 ppm1 8.460 ppm2 3.955 ASSI { 342} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB )) 2.700 0.900 0.900 peak 342 weight 0.10000E+01 volume 0.20410E+05 ppm1 8.460 ppm2 4.268 ASSI { 346} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.900 1.100 1.100 peak 346 weight 0.10000E+01 volume 0.11150E+05 ppm1 8.460 ppm2 9.047 ASSI { 348} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG )) 2.700 0.900 0.900 peak 348 weight 0.10000E+01 volume 0.20500E+05 ppm1 8.460 ppm2 1.630 ASSI { 350} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HG2%) 3.300 1.400 1.400 peak 350 weight 0.10000E+01 volume 0.55840E+04 ppm1 8.460 ppm2 1.134 ASSI { 351} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD1%) 3.100 1.200 1.200 peak 351 weight 0.10000E+01 volume 0.89530E+04 ppm1 8.460 ppm2 0.729 ASSI { 352} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD2%) 3.500 1.500 1.500 peak 352 weight 0.10000E+01 volume 0.40960E+04 ppm1 8.460 ppm2 0.612 ASSI { 353} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.500 0.800 0.800 peak 353 weight 0.10000E+01 volume 0.29040E+05 ppm1 9.038 ppm2 2.871 ASSI { 354} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB3 )) 2.700 0.900 0.900 peak 354 weight 0.10000E+01 volume 0.17880E+05 ppm1 9.038 ppm2 2.675 ASSI { 355} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB3 )) 3.100 1.200 1.200 peak 355 weight 0.10000E+01 volume 0.76570E+04 ppm1 9.038 ppm2 1.434 ASSI { 357} (( segid " " and resid 24 and name HN )) (( segid " " and resid 20 and name HA )) 3.800 1.800 1.700 peak 357 weight 0.10000E+01 volume 0.23230E+04 ppm1 9.038 ppm2 3.928 ASSI { 358} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.300 1.400 1.400 peak 358 weight 0.10000E+01 volume 0.55510E+04 ppm1 9.038 ppm2 3.811 ASSI { 362} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.000 1.100 1.100 peak 362 weight 0.10000E+01 volume 0.92030E+04 ppm1 9.038 ppm2 1.983 ASSI { 363} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HA )) 3.300 1.400 1.400 peak 363 weight 0.10000E+01 volume 0.57930E+04 ppm1 9.038 ppm2 4.177 ASSI { 364} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.700 0.900 0.900 peak 364 weight 0.10000E+01 volume 0.16820E+05 ppm1 7.275 ppm2 2.871 ASSI { 365} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB3 )) 3.000 1.100 1.100 peak 365 weight 0.10000E+01 volume 0.10480E+05 ppm1 7.275 ppm2 2.688 ASSI { 367} (( segid " " and resid 25 and name HN )) ( segid " " and resid 124 and name HB% ) 3.100 1.200 1.200 peak 367 weight 0.10000E+01 volume 0.89980E+04 ppm1 7.275 ppm2 1.251 ASSI { 368} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB3 )) 2.500 0.800 0.800 peak 368 weight 0.10000E+01 volume 0.32130E+05 ppm1 7.275 ppm2 4.150 ASSI { 369} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 369 weight 0.10000E+01 volume 0.19660E+05 ppm1 7.275 ppm2 7.533 ASSI { 370} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 370 weight 0.10000E+01 volume 0.17970E+05 ppm1 7.268 ppm2 9.042 ASSI { 371} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB3 )) 2.900 2.900 2.600 peak 371 weight 0.10000E+01 volume 0.11230E+05 ppm1 7.523 ppm2 4.137 ASSI { 372} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 372 weight 0.10000E+01 volume 0.87260E+04 ppm1 7.522 ppm2 4.332 ASSI { 374} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HA )) 2.900 1.100 1.100 peak 374 weight 0.10000E+01 volume 0.12400E+05 ppm1 7.523 ppm2 3.824 ASSI { 375} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 2.600 2.600 2.900 peak 375 weight 0.10000E+01 volume 0.25960E+05 ppm1 7.525 ppm2 1.774 ASSI { 377} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 2.800 1.000 1.000 peak 377 weight 0.10000E+01 volume 0.16380E+05 ppm1 7.524 ppm2 0.520 ASSI { 378} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD2%) 3.100 3.100 2.400 peak 378 weight 0.10000E+01 volume 0.76010E+04 ppm1 7.524 ppm2 0.416 ASSI { 379} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.600 0.800 0.800 peak 379 weight 0.10000E+01 volume 0.25030E+05 ppm1 7.523 ppm2 8.904 ASSI { 380} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.900 1.100 1.100 peak 380 weight 0.10000E+01 volume 0.13000E+05 ppm1 7.523 ppm2 4.229 ASSI { 381} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 381 weight 0.10000E+01 volume 0.11120E+05 ppm1 8.900 ppm2 3.981 ASSI { 382} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HA )) 2.900 1.100 1.100 peak 382 weight 0.10000E+01 volume 0.12370E+05 ppm1 8.900 ppm2 4.281 ASSI { 383} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.900 1.100 1.100 peak 383 weight 0.10000E+01 volume 0.12720E+05 ppm1 8.900 ppm2 1.917 ASSI { 384} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB3 )) 3.700 1.700 1.700 peak 384 weight 0.10000E+01 volume 0.30200E+04 ppm1 8.900 ppm2 1.199 ASSI { 385} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HB% ) 2.300 0.700 0.700 peak 385 weight 0.10000E+01 volume 0.52510E+05 ppm1 8.900 ppm2 0.860 ASSI { 386} (( segid " " and resid 27 and name HN )) ( segid " " and resid 52 and name HD2%) 2.800 1.000 1.000 peak 386 weight 0.10000E+01 volume 0.16380E+05 ppm1 8.900 ppm2 0.703 ASSI { 387} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD1%) 3.300 1.400 1.400 peak 387 weight 0.10000E+01 volume 0.59130E+04 ppm1 8.900 ppm2 0.546 ASSI { 388} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 3.600 1.600 1.600 peak 388 weight 0.10000E+01 volume 0.32290E+04 ppm1 8.900 ppm2 0.429 ASSI { 390} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 2.600 0.800 0.800 peak 390 weight 0.10000E+01 volume 0.24740E+05 ppm1 8.916 ppm2 7.752 ASSI { 391} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 3.200 1.300 1.300 peak 391 weight 0.10000E+01 volume 0.62990E+04 ppm1 7.751 ppm2 3.772 ASSI { 392} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG2 )) 2.900 1.100 1.100 peak 392 weight 0.10000E+01 volume 0.12680E+05 ppm1 7.751 ppm2 2.453 ASSI { 393} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.300 0.700 0.700 peak 393 weight 0.10000E+01 volume 0.52830E+05 ppm1 7.751 ppm2 2.192 OR { 393} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB3 )) ASSI { 394} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HB% ) 2.500 0.800 0.800 peak 394 weight 0.10000E+01 volume 0.30630E+05 ppm1 7.751 ppm2 0.847 ASSI { 397} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 397 weight 0.10000E+01 volume 0.92480E+04 ppm1 7.751 ppm2 4.320 ASSI { 398} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 2.600 0.800 0.800 peak 398 weight 0.10000E+01 volume 0.22200E+05 ppm1 7.751 ppm2 7.637 ASSI { 400} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG3 )) 3.000 1.100 1.100 peak 400 weight 0.10000E+01 volume 0.10940E+05 ppm1 7.751 ppm2 2.270 ASSI { 401} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.500 0.800 0.800 peak 401 weight 0.10000E+01 volume 0.27410E+05 ppm1 7.636 ppm2 8.784 ASSI { 402} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HD% ) 2.800 2.800 2.700 peak 402 weight 0.10000E+01 volume 0.16540E+05 ppm1 7.644 ppm2 6.483 ASSI { 403} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.500 2.500 3.000 peak 403 weight 0.10000E+01 volume 0.27120E+05 ppm1 7.636 ppm2 3.992 ASSI { 404} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.200 0.600 0.600 peak 404 weight 0.10000E+01 volume 0.72260E+05 ppm1 7.636 ppm2 3.147 OR { 404} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB3 )) ASSI { 405} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 405 weight 0.10000E+01 volume 0.32770E+05 ppm1 7.636 ppm2 2.182 OR { 405} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) ASSI { 406} (( segid " " and resid 29 and name HN )) ( segid " " and resid 123 and name HD1%) 3.000 1.100 1.100 peak 406 weight 0.10000E+01 volume 0.10590E+05 ppm1 7.636 ppm2 0.743 ASSI { 411} (( segid " " and resid 30 and name HN )) ( segid " " and resid 29 and name HD% ) 2.700 0.900 0.900 peak 411 weight 0.10000E+01 volume 0.19860E+05 ppm1 8.781 ppm2 6.484 ASSI { 415} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 415 weight 0.10000E+01 volume 0.21850E+05 ppm1 8.781 ppm2 9.229 ASSI { 416} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.500 0.800 0.800 peak 416 weight 0.10000E+01 volume 0.32360E+05 ppm1 8.779 ppm2 3.147 OR { 416} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB3 )) ASSI { 417} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 417 weight 0.10000E+01 volume 0.92600E+04 ppm1 8.781 ppm2 3.755 ASSI { 423} (( segid " " and resid 53 and name HN )) (( segid " " and resid 47 and name HN )) 3.700 1.700 1.700 peak 423 weight 0.10000E+01 volume 0.27350E+04 ppm1 9.233 ppm2 8.991 ASSI { 424} (( segid " " and resid 53 and name HN )) (( segid " " and resid 46 and name HN )) 3.000 1.100 1.100 peak 424 weight 0.10000E+01 volume 0.10520E+05 ppm1 9.233 ppm2 8.888 ASSI { 427} (( segid " " and resid 53 and name HN )) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 427 weight 0.10000E+01 volume 0.74080E+04 ppm1 9.242 ppm2 5.936 ASSI { 428} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 2.200 0.600 0.600 peak 428 weight 0.10000E+01 volume 0.64260E+05 ppm1 9.240 ppm2 5.319 ASSI { 429} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 429 weight 0.10000E+01 volume 0.26260E+05 ppm1 9.233 ppm2 2.108 OR { 429} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB3 )) ASSI { 430} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG3 )) 2.600 2.600 2.900 peak 430 weight 0.10000E+01 volume 0.24070E+05 ppm1 9.236 ppm2 2.253 ASSI { 431} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG2 )) 2.600 0.800 0.800 peak 431 weight 0.10000E+01 volume 0.21820E+05 ppm1 9.233 ppm2 2.524 ASSI { 432} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB3 )) 3.300 1.400 1.400 peak 432 weight 0.10000E+01 volume 0.54390E+04 ppm1 9.233 ppm2 2.820 ASSI { 433} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.500 1.500 1.500 peak 433 weight 0.10000E+01 volume 0.41980E+04 ppm1 9.233 ppm2 3.265 ASSI { 434} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.900 1.100 1.100 peak 434 weight 0.10000E+01 volume 0.12230E+05 ppm1 9.233 ppm2 4.126 ASSI { 435} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB )) 2.400 0.700 0.700 peak 435 weight 0.10000E+01 volume 0.40680E+05 ppm1 9.233 ppm2 3.992 ASSI { 436} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.200 0.600 0.600 peak 436 weight 0.10000E+01 volume 0.61810E+05 ppm1 7.733 ppm2 2.716 ASSI { 437} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB3 )) 2.200 0.600 0.600 peak 437 weight 0.10000E+01 volume 0.66080E+05 ppm1 7.733 ppm2 2.568 ASSI { 439} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 439 weight 0.10000E+01 volume 0.33810E+05 ppm1 7.733 ppm2 7.226 ASSI { 440} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 440 weight 0.10000E+01 volume 0.31400E+05 ppm1 7.733 ppm2 9.214 ASSI { 441} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG3 )) 2.700 2.700 2.800 peak 441 weight 0.10000E+01 volume 0.17560E+05 ppm1 7.744 ppm2 2.253 ASSI { 442} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 442 weight 0.10000E+01 volume 0.20950E+05 ppm1 7.733 ppm2 2.093 OR { 442} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB3 )) ASSI { 443} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.900 1.100 1.100 peak 443 weight 0.10000E+01 volume 0.11990E+05 ppm1 7.733 ppm2 4.215 ASSI { 444} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.000 peak 444 weight 0.10000E+01 volume 0.13980E+05 ppm1 7.733 ppm2 4.141 ASSI { 445} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 445 weight 0.10000E+01 volume 0.88850E+04 ppm1 7.733 ppm2 3.992 ASSI { 446} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.000 1.100 1.100 peak 446 weight 0.10000E+01 volume 0.10670E+05 ppm1 7.226 ppm2 2.711 ASSI { 447} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB3 )) 2.800 1.000 1.000 peak 447 weight 0.10000E+01 volume 0.15880E+05 ppm1 7.227 ppm2 2.584 ASSI { 448} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 2.800 1.000 1.000 peak 448 weight 0.10000E+01 volume 0.14270E+05 ppm1 7.228 ppm2 0.585 ASSI { 449} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 2.900 1.100 1.100 peak 449 weight 0.10000E+01 volume 0.11710E+05 ppm1 7.227 ppm2 0.695 ASSI { 450} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 2.400 0.700 0.700 peak 450 weight 0.10000E+01 volume 0.41970E+05 ppm1 7.226 ppm2 1.509 ASSI { 451} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 451 weight 0.10000E+01 volume 0.12440E+05 ppm1 7.226 ppm2 4.418 ASSI { 452} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 3.500 1.500 1.500 peak 452 weight 0.10000E+01 volume 0.42380E+04 ppm1 7.226 ppm2 4.235 ASSI { 453} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 453 weight 0.10000E+01 volume 0.15930E+05 ppm1 7.227 ppm2 4.132 ASSI { 457} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 457 weight 0.10000E+01 volume 0.10430E+05 ppm1 7.231 ppm2 3.823 ASSI { 458} (( segid " " and resid 34 and name HN )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 458 weight 0.10000E+01 volume 0.76690E+04 ppm1 7.226 ppm2 4.224 ASSI { 459} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 459 weight 0.10000E+01 volume 0.83050E+04 ppm1 7.238 ppm2 4.418 ASSI { 460} (( segid " " and resid 34 and name HN )) ( segid " " and resid 43 and name HE% ) 2.800 1.000 1.000 peak 460 weight 0.10000E+01 volume 0.14540E+05 ppm1 7.229 ppm2 6.516 ASSI { 461} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.600 0.800 0.800 peak 461 weight 0.10000E+01 volume 0.25030E+05 ppm1 7.230 ppm2 7.484 ASSI { 462} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HB% ) 2.000 0.500 0.500 peak 462 weight 0.10000E+01 volume 0.10730E+06 ppm1 7.236 ppm2 1.624 ASSI { 463} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG )) 3.000 3.000 2.500 peak 463 weight 0.10000E+01 volume 0.90440E+04 ppm1 7.238 ppm2 1.520 ASSI { 464} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB3 )) 3.200 1.300 1.300 peak 464 weight 0.10000E+01 volume 0.63630E+04 ppm1 7.236 ppm2 1.236 ASSI { 465} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.500 0.800 0.800 peak 465 weight 0.10000E+01 volume 0.28900E+05 ppm1 7.485 ppm2 7.018 ASSI { 467} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HA )) 3.500 1.500 1.500 peak 467 weight 0.10000E+01 volume 0.38680E+04 ppm1 7.485 ppm2 3.814 ASSI { 468} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 2.800 1.000 1.000 peak 468 weight 0.10000E+01 volume 0.14840E+05 ppm1 7.485 ppm2 3.636 ASSI { 469} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB3 )) 2.500 0.800 0.800 peak 469 weight 0.10000E+01 volume 0.26510E+05 ppm1 7.485 ppm2 2.642 ASSI { 470} (( segid " " and resid 35 and name HN )) ( segid " " and resid 34 and name HB% ) 2.500 0.800 0.800 peak 470 weight 0.10000E+01 volume 0.33040E+05 ppm1 7.485 ppm2 1.619 ASSI { 471} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HA )) 3.400 1.400 1.400 peak 471 weight 0.10000E+01 volume 0.43680E+04 ppm1 7.485 ppm2 4.437 ASSI { 473} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.100 1.200 1.200 peak 473 weight 0.10000E+01 volume 0.89410E+04 ppm1 7.487 ppm2 2.715 ASSI { 474} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.700 0.900 0.900 peak 474 weight 0.10000E+01 volume 0.19990E+05 ppm1 7.008 ppm2 4.586 ASSI { 475} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HA )) 2.900 1.100 1.100 peak 475 weight 0.10000E+01 volume 0.11660E+05 ppm1 7.008 ppm2 3.814 ASSI { 476} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HD2 )) 3.200 3.200 2.300 peak 476 weight 0.10000E+01 volume 0.73170E+04 ppm1 7.010 ppm2 3.626 ASSI { 477} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HD3 )) 2.900 2.900 2.600 peak 477 weight 0.10000E+01 volume 0.11250E+05 ppm1 7.008 ppm2 3.369 ASSI { 478} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 478 weight 0.10000E+01 volume 0.58650E+04 ppm1 7.008 ppm2 2.731 ASSI { 479} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.500 1.500 1.500 peak 479 weight 0.10000E+01 volume 0.39760E+04 ppm1 7.008 ppm2 2.627 ASSI { 480} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD3 )) 2.700 2.700 2.800 peak 480 weight 0.10000E+01 volume 0.18630E+05 ppm1 7.008 ppm2 1.366 OR { 480} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD2 )) ASSI { 483} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB3 )) 2.700 0.900 0.900 peak 483 weight 0.10000E+01 volume 0.20630E+05 ppm1 5.894 ppm2 0.524 ASSI { 484} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.900 1.100 1.100 peak 484 weight 0.10000E+01 volume 0.12360E+05 ppm1 5.880 ppm2 1.174 ASSI { 485} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB3 )) 2.700 2.700 2.800 peak 485 weight 0.10000E+01 volume 0.18340E+05 ppm1 5.888 ppm2 2.006 ASSI { 486} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.400 1.400 1.400 peak 486 weight 0.10000E+01 volume 0.48970E+04 ppm1 5.894 ppm2 2.294 ASSI { 487} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB3 )) 2.800 1.000 1.000 peak 487 weight 0.10000E+01 volume 0.14180E+05 ppm1 5.896 ppm2 2.803 ASSI { 488} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.700 0.900 0.900 peak 488 weight 0.10000E+01 volume 0.18880E+05 ppm1 5.880 ppm2 3.399 ASSI { 489} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HD2 )) 3.300 1.400 1.400 peak 489 weight 0.10000E+01 volume 0.55190E+04 ppm1 5.896 ppm2 3.688 ASSI { 490} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) 3.300 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.51660E+04 ppm1 5.888 ppm2 4.241 ASSI { 491} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.900 1.100 1.100 peak 491 weight 0.10000E+01 volume 0.12470E+05 ppm1 5.880 ppm2 4.348 ASSI { 494} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HE% ) 3.100 3.100 2.400 peak 494 weight 0.10000E+01 volume 0.85320E+04 ppm1 5.896 ppm2 6.667 ASSI { 497} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HA )) 5.500 3.800 0.000 peak 497 weight 0.10000E+01 volume -0.10670E+05 ppm1 8.994 ppm2 4.600 ASSI { 498} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.200 0.600 0.600 peak 498 weight 0.10000E+01 volume 0.58170E+05 ppm1 8.994 ppm2 4.437 ASSI { 499} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 2.600 0.800 0.800 peak 499 weight 0.10000E+01 volume 0.22300E+05 ppm1 8.994 ppm2 3.755 ASSI { 500} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.900 1.100 1.100 peak 500 weight 0.10000E+01 volume 0.11120E+05 ppm1 8.994 ppm2 3.695 ASSI { 501} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB3 )) 2.700 0.900 0.900 peak 501 weight 0.10000E+01 volume 0.19860E+05 ppm1 8.994 ppm2 3.265 ASSI { 502} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HB3 )) 3.500 1.500 1.500 peak 502 weight 0.10000E+01 volume 0.40960E+04 ppm1 8.994 ppm2 2.924 ASSI { 503} (( segid " " and resid 40 and name HN )) ( segid " " and resid 114 and name HD2%) 3.300 1.400 1.400 peak 503 weight 0.10000E+01 volume 0.58810E+04 ppm1 8.994 ppm2 0.936 OR { 503} (( segid " " and resid 40 and name HN )) ( segid " " and resid 114 and name HD1%) ASSI { 504} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG2%) 2.800 1.000 1.000 peak 504 weight 0.10000E+01 volume 0.14040E+05 ppm1 8.997 ppm2 0.525 ASSI { 505} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 3.100 1.200 1.200 peak 505 weight 0.10000E+01 volume 0.84070E+04 ppm1 8.991 ppm2 7.404 ASSI { 506} (( segid " " and resid 40 and name HN )) ( segid " " and resid 43 and name HD% ) 3.400 1.400 1.400 peak 506 weight 0.10000E+01 volume 0.43450E+04 ppm1 8.991 ppm2 7.196 ASSI { 520} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG3 )) 2.800 1.000 1.000 peak 520 weight 0.10000E+01 volume 0.15840E+05 ppm1 9.274 ppm2 2.386 OR { 520} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 521} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.300 0.700 0.700 peak 521 weight 0.10000E+01 volume 0.50000E+05 ppm1 9.281 ppm2 2.151 OR { 521} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB3 )) ASSI { 523} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 523 weight 0.10000E+01 volume 0.23330E+05 ppm1 9.274 ppm2 3.689 ASSI { 525} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB3 )) 3.100 1.200 1.200 peak 525 weight 0.10000E+01 volume 0.80780E+04 ppm1 9.274 ppm2 3.254 ASSI { 527} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 2.500 0.800 0.800 peak 527 weight 0.10000E+01 volume 0.30630E+05 ppm1 9.276 ppm2 7.926 ASSI { 528} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.800 1.000 1.000 peak 528 weight 0.10000E+01 volume 0.15020E+05 ppm1 9.210 ppm2 4.215 ASSI { 529} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 529 weight 0.10000E+01 volume 0.17410E+05 ppm1 9.210 ppm2 3.689 ASSI { 530} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB3 )) 2.800 1.000 1.000 peak 530 weight 0.10000E+01 volume 0.14430E+05 ppm1 9.204 ppm2 3.254 ASSI { 531} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG3 )) 2.800 2.800 2.700 peak 531 weight 0.10000E+01 volume 0.13830E+05 ppm1 9.203 ppm2 2.399 OR { 531} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 532} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.600 0.800 0.800 peak 532 weight 0.10000E+01 volume 0.22300E+05 ppm1 9.203 ppm2 2.149 OR { 532} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB3 )) ASSI { 533} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 533 weight 0.10000E+01 volume 0.34720E+05 ppm1 9.210 ppm2 7.254 ASSI { 535} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 3.100 3.100 2.400 peak 535 weight 0.10000E+01 volume 0.77480E+04 ppm1 7.273 ppm2 4.216 ASSI { 536} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HB )) 3.200 1.300 1.300 peak 536 weight 0.10000E+01 volume 0.62830E+04 ppm1 7.275 ppm2 3.747 ASSI { 538} (( segid " " and resid 43 and name HN )) (( segid " " and resid 57 and name HA2 )) 3.300 3.300 2.200 peak 538 weight 0.10000E+01 volume 0.59050E+04 ppm1 7.276 ppm2 3.314 ASSI { 539} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 539 weight 0.10000E+01 volume 0.46860E+05 ppm1 7.276 ppm2 3.188 ASSI { 540} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB3 )) 2.300 0.700 0.700 peak 540 weight 0.10000E+01 volume 0.55020E+05 ppm1 7.277 ppm2 2.922 ASSI { 543} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD% ) 2.700 2.700 2.800 peak 543 weight 0.10000E+01 volume 0.19890E+05 ppm1 7.276 ppm2 7.171 ASSI { 544} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 2.200 0.600 0.600 peak 544 weight 0.10000E+01 volume 0.73080E+05 ppm1 8.823 ppm2 4.597 ASSI { 545} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.800 1.800 1.700 peak 545 weight 0.10000E+01 volume 0.24110E+04 ppm1 8.823 ppm2 3.202 ASSI { 546} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB3 )) 3.300 1.400 1.400 peak 546 weight 0.10000E+01 volume 0.52220E+04 ppm1 8.823 ppm2 2.912 ASSI { 547} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.800 1.000 1.000 peak 547 weight 0.10000E+01 volume 0.13790E+05 ppm1 8.823 ppm2 2.531 ASSI { 548} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB3 )) 2.900 1.100 1.100 peak 548 weight 0.10000E+01 volume 0.11550E+05 ppm1 8.823 ppm2 2.386 ASSI { 549} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HB3 )) 2.900 1.100 1.100 peak 549 weight 0.10000E+01 volume 0.12070E+05 ppm1 8.823 ppm2 1.794 OR { 549} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 550} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HD3 )) 3.100 1.200 1.200 peak 550 weight 0.10000E+01 volume 0.78510E+04 ppm1 8.823 ppm2 1.662 OR { 550} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HD2 )) ASSI { 551} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD% ) 3.200 1.300 1.300 peak 551 weight 0.10000E+01 volume 0.64270E+04 ppm1 8.823 ppm2 7.189 ASSI { 553} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.000 1.100 1.100 peak 553 weight 0.10000E+01 volume 0.11010E+05 ppm1 8.193 ppm2 2.531 ASSI { 554} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB3 )) 3.100 1.200 1.200 peak 554 weight 0.10000E+01 volume 0.77710E+04 ppm1 8.193 ppm2 2.386 ASSI { 555} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB )) 2.300 0.700 0.700 peak 555 weight 0.10000E+01 volume 0.49100E+05 ppm1 8.193 ppm2 1.899 ASSI { 557} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 3.200 1.300 1.300 peak 557 weight 0.10000E+01 volume 0.63550E+04 ppm1 8.193 ppm2 8.847 ASSI { 558} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HG1%) 2.800 2.800 2.700 peak 558 weight 0.10000E+01 volume 0.16290E+05 ppm1 8.193 ppm2 0.833 ASSI { 559} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HG2%) 2.800 1.000 1.000 peak 559 weight 0.10000E+01 volume 0.16560E+05 ppm1 8.193 ppm2 0.754 ASSI { 560} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 1.900 0.500 0.500 peak 560 weight 0.10000E+01 volume 0.13270E+06 ppm1 8.882 ppm2 4.662 ASSI { 561} (( segid " " and resid 46 and name HN )) (( segid " " and resid 54 and name HA )) 3.000 1.100 1.100 peak 561 weight 0.10000E+01 volume 0.96910E+04 ppm1 8.882 ppm2 4.281 ASSI { 562} (( segid " " and resid 46 and name HN )) (( segid " " and resid 53 and name HB )) 3.000 1.100 1.100 peak 562 weight 0.10000E+01 volume 0.10240E+05 ppm1 8.882 ppm2 4.004 ASSI { 563} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB3 )) 2.500 0.800 0.800 peak 563 weight 0.10000E+01 volume 0.28680E+05 ppm1 8.882 ppm2 3.794 OR { 563} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 564} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB )) 3.300 1.400 1.400 peak 564 weight 0.10000E+01 volume 0.56320E+04 ppm1 8.882 ppm2 1.899 ASSI { 565} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG1%) 2.400 0.700 0.700 peak 565 weight 0.10000E+01 volume 0.35360E+05 ppm1 8.882 ppm2 0.833 ASSI { 566} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG2%) 3.000 1.100 1.100 peak 566 weight 0.10000E+01 volume 0.10190E+05 ppm1 8.882 ppm2 0.741 ASSI { 569} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 569 weight 0.10000E+01 volume 0.42100E+05 ppm1 9.014 ppm2 4.860 ASSI { 571} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.700 0.900 0.900 peak 571 weight 0.10000E+01 volume 0.18130E+05 ppm1 9.014 ppm2 3.781 OR { 571} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB3 )) ASSI { 572} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.600 0.800 0.800 peak 572 weight 0.10000E+01 volume 0.21980E+05 ppm1 9.023 ppm2 3.067 ASSI { 574} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB3 )) 2.800 1.000 1.000 peak 574 weight 0.10000E+01 volume 0.15040E+05 ppm1 9.018 ppm2 2.933 ASSI { 577} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HD% ) 3.300 1.400 1.400 peak 577 weight 0.10000E+01 volume 0.54630E+04 ppm1 9.014 ppm2 7.241 ASSI { 579} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 3.400 1.400 1.400 peak 579 weight 0.10000E+01 volume 0.49730E+04 ppm1 9.014 ppm2 8.873 ASSI { 582} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.400 1.400 1.400 peak 582 weight 0.10000E+01 volume 0.50770E+04 ppm1 8.152 ppm2 3.064 ASSI { 583} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB3 )) 3.100 1.200 1.200 peak 583 weight 0.10000E+01 volume 0.77600E+04 ppm1 8.147 ppm2 2.938 ASSI { 584} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 2.200 0.600 0.600 peak 584 weight 0.10000E+01 volume 0.71720E+05 ppm1 8.135 ppm2 5.952 ASSI { 585} (( segid " " and resid 48 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 585 weight 0.10000E+01 volume 0.73050E+04 ppm1 8.136 ppm2 5.327 ASSI { 586} (( segid " " and resid 48 and name HN )) ( segid " " and resid 47 and name HD% ) 2.500 0.800 0.800 peak 586 weight 0.10000E+01 volume 0.29590E+05 ppm1 8.136 ppm2 7.238 ASSI { 587} (( segid " " and resid 48 and name HN )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 587 weight 0.10000E+01 volume 0.14540E+05 ppm1 8.135 ppm2 7.676 ASSI { 588} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 588 weight 0.10000E+01 volume 0.81690E+04 ppm1 8.703 ppm2 3.978 ASSI { 591} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA1 )) 2.800 1.000 1.000 peak 591 weight 0.10000E+01 volume 0.14680E+05 ppm1 7.690 ppm2 4.057 ASSI { 592} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA2 )) 2.800 1.000 1.000 peak 592 weight 0.10000E+01 volume 0.14000E+05 ppm1 7.690 ppm2 3.518 ASSI { 593} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB )) 2.200 2.200 3.300 peak 593 weight 0.10000E+01 volume 0.56170E+05 ppm1 7.690 ppm2 2.096 ASSI { 594} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG1%) 2.300 0.700 0.700 peak 594 weight 0.10000E+01 volume 0.48530E+05 ppm1 7.690 ppm2 0.873 ASSI { 595} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG2%) 3.000 1.100 1.100 peak 595 weight 0.10000E+01 volume 0.98840E+04 ppm1 7.690 ppm2 0.794 ASSI { 596} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 596 weight 0.10000E+01 volume 0.20180E+05 ppm1 7.690 ppm2 8.715 ASSI { 598} (( segid " " and resid 51 and name HN )) ( segid " " and resid 47 and name HD% ) 3.000 1.100 1.100 peak 598 weight 0.10000E+01 volume 0.10060E+05 ppm1 7.690 ppm2 7.241 ASSI { 601} (( segid " " and resid 52 and name HN )) ( segid " " and resid 47 and name HD% ) 3.400 3.400 2.100 peak 601 weight 0.10000E+01 volume 0.44420E+04 ppm1 9.604 ppm2 7.237 ASSI { 602} (( segid " " and resid 52 and name HN )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 602 weight 0.10000E+01 volume 0.10700E+05 ppm1 9.604 ppm2 5.817 ASSI { 603} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.300 0.700 0.700 peak 603 weight 0.10000E+01 volume 0.43580E+05 ppm1 9.604 ppm2 4.492 ASSI { 604} (( segid " " and resid 52 and name HN )) (( segid " " and resid 65 and name HB )) 3.500 1.500 1.500 peak 604 weight 0.10000E+01 volume 0.37660E+04 ppm1 9.607 ppm2 1.746 ASSI { 605} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB3 )) 2.800 1.000 1.000 peak 605 weight 0.10000E+01 volume 0.14790E+05 ppm1 9.607 ppm2 1.221 ASSI { 606} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HG1%) 2.800 1.000 1.000 peak 606 weight 0.10000E+01 volume 0.14910E+05 ppm1 9.607 ppm2 0.873 ASSI { 607} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD1%) 2.800 2.800 2.700 peak 607 weight 0.10000E+01 volume 0.14290E+05 ppm1 9.607 ppm2 0.696 ASSI { 609} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HG2%) 3.300 1.400 1.400 peak 609 weight 0.10000E+01 volume 0.60740E+04 ppm1 9.242 ppm2 1.018 ASSI { 610} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) 2.400 2.400 3.100 peak 610 weight 0.10000E+01 volume 0.36080E+05 ppm1 9.242 ppm2 0.708 ASSI { 611} (( segid " " and resid 31 and name HN )) ( segid " " and resid 45 and name HG1%) 2.800 1.000 1.000 peak 611 weight 0.10000E+01 volume 0.15680E+05 ppm1 9.242 ppm2 0.839 ASSI { 613} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB3 )) 3.000 3.000 2.500 peak 613 weight 0.10000E+01 volume 0.10030E+05 ppm1 9.242 ppm2 1.233 ASSI { 614} (( segid " " and resid 53 and name HN )) (( segid " " and resid 46 and name HB3 )) 3.000 1.100 1.100 peak 614 weight 0.10000E+01 volume 0.98390E+04 ppm1 9.242 ppm2 3.775 ASSI { 615} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 615 weight 0.10000E+01 volume 0.73170E+04 ppm1 9.243 ppm2 7.619 ASSI { 616} (( segid " " and resid 54 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.400 1.400 1.400 peak 616 weight 0.10000E+01 volume 0.47260E+04 ppm1 9.169 ppm2 2.749 ASSI { 617} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB )) 2.600 0.800 0.800 peak 617 weight 0.10000E+01 volume 0.21820E+05 ppm1 9.169 ppm2 1.579 ASSI { 618} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HG2%) 2.600 0.800 0.800 peak 618 weight 0.10000E+01 volume 0.24330E+05 ppm1 9.169 ppm2 1.030 ASSI { 621} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HG1%) 3.300 1.400 1.400 peak 621 weight 0.10000E+01 volume 0.58090E+04 ppm1 9.169 ppm2 0.445 ASSI { 622} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HG2%) 2.900 1.100 1.100 peak 622 weight 0.10000E+01 volume 0.12720E+05 ppm1 9.169 ppm2 -0.223 ASSI { 623} (( segid " " and resid 54 and name HN )) (( segid " " and resid 64 and name HA )) 2.800 1.000 1.000 peak 623 weight 0.10000E+01 volume 0.15630E+05 ppm1 9.169 ppm2 4.933 ASSI { 624} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.100 0.600 0.600 peak 624 weight 0.10000E+01 volume 0.83430E+05 ppm1 9.170 ppm2 5.042 ASSI { 627} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 3.600 1.600 1.600 peak 627 weight 0.10000E+01 volume 0.32290E+04 ppm1 8.897 ppm2 9.159 ASSI { 628} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 2.100 0.600 0.600 peak 628 weight 0.10000E+01 volume 0.80980E+05 ppm1 8.897 ppm2 4.289 ASSI { 629} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD2 )) 2.700 2.700 2.800 peak 629 weight 0.10000E+01 volume 0.20760E+05 ppm1 8.899 ppm2 1.651 OR { 629} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD3 )) ASSI { 630} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.300 1.400 1.400 peak 630 weight 0.10000E+01 volume 0.56160E+04 ppm1 8.899 ppm2 1.352 ASSI { 631} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG3 )) 3.400 1.400 1.400 peak 631 weight 0.10000E+01 volume 0.45160E+04 ppm1 8.899 ppm2 1.209 ASSI { 633} (( segid " " and resid 55 and name HN )) ( segid " " and resid 62 and name HG2%) 3.300 1.400 1.400 peak 633 weight 0.10000E+01 volume 0.60170E+04 ppm1 8.899 ppm2 0.887 ASSI { 634} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HG1%) 2.700 0.900 0.900 peak 634 weight 0.10000E+01 volume 0.17320E+05 ppm1 8.899 ppm2 0.433 ASSI { 635} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HG2%) 3.100 1.200 1.200 peak 635 weight 0.10000E+01 volume 0.79070E+04 ppm1 8.899 ppm2 -0.211 ASSI { 636} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.300 0.700 0.700 peak 636 weight 0.10000E+01 volume 0.48850E+05 ppm1 8.492 ppm2 4.563 ASSI { 637} (( segid " " and resid 56 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 637 weight 0.10000E+01 volume 0.19770E+05 ppm1 8.491 ppm2 5.353 ASSI { 639} (( segid " " and resid 55 and name HN )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 639 weight 0.10000E+01 volume 0.86690E+04 ppm1 8.897 ppm2 4.659 ASSI { 640} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.600 0.800 0.800 peak 640 weight 0.10000E+01 volume 0.24810E+05 ppm1 8.492 ppm2 2.271 ASSI { 641} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HD1%) 2.600 2.600 2.900 peak 641 weight 0.10000E+01 volume 0.21880E+05 ppm1 8.492 ppm2 1.042 ASSI { 642} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB3 )) 2.900 1.100 1.100 peak 642 weight 0.10000E+01 volume 0.11260E+05 ppm1 8.492 ppm2 1.519 ASSI { 643} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG )) 2.600 0.800 0.800 peak 643 weight 0.10000E+01 volume 0.25260E+05 ppm1 8.495 ppm2 1.866 ASSI { 645} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HD2%) 2.700 0.900 0.900 peak 645 weight 0.10000E+01 volume 0.18340E+05 ppm1 8.492 ppm2 0.923 ASSI { 646} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.800 2.800 2.700 peak 646 weight 0.10000E+01 volume 0.13770E+05 ppm1 7.567 ppm2 2.283 ASSI { 647} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HG )) 3.400 3.400 2.100 peak 647 weight 0.10000E+01 volume 0.46070E+04 ppm1 7.573 ppm2 1.844 ASSI { 648} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.200 1.300 1.300 peak 648 weight 0.10000E+01 volume 0.72370E+04 ppm1 7.569 ppm2 1.522 ASSI { 649} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HD1%) 3.200 3.200 2.300 peak 649 weight 0.10000E+01 volume 0.74420E+04 ppm1 7.573 ppm2 1.056 ASSI { 651} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.600 0.800 0.800 peak 651 weight 0.10000E+01 volume 0.24200E+05 ppm1 7.570 ppm2 8.502 ASSI { 652} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 3.400 1.400 1.400 peak 652 weight 0.10000E+01 volume 0.50690E+04 ppm1 7.572 ppm2 9.159 ASSI { 653} (( segid " " and resid 57 and name HN )) (( segid " " and resid 43 and name HA )) 2.900 1.100 1.100 peak 653 weight 0.10000E+01 volume 0.13180E+05 ppm1 7.570 ppm2 4.574 ASSI { 654} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.500 0.800 0.800 peak 654 weight 0.10000E+01 volume 0.33130E+05 ppm1 9.157 ppm2 4.422 ASSI { 655} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA2 )) 2.400 2.400 3.100 peak 655 weight 0.10000E+01 volume 0.38450E+05 ppm1 9.159 ppm2 3.345 ASSI { 658} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA2 )) 2.700 0.900 0.900 peak 658 weight 0.10000E+01 volume 0.19770E+05 ppm1 9.157 ppm2 3.182 ASSI { 661} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 661 weight 0.10000E+01 volume 0.94190E+04 ppm1 8.668 ppm2 4.657 ASSI { 662} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA1 )) 2.900 1.100 1.100 peak 662 weight 0.10000E+01 volume 0.11860E+05 ppm1 8.672 ppm2 3.541 ASSI { 663} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA2 )) 2.900 1.100 1.100 peak 663 weight 0.10000E+01 volume 0.11040E+05 ppm1 8.670 ppm2 3.173 ASSI { 664} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 3.000 1.100 1.100 peak 664 weight 0.10000E+01 volume 0.99300E+04 ppm1 8.670 ppm2 2.725 OR { 664} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 666} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 3.200 1.300 1.300 peak 666 weight 0.10000E+01 volume 0.61860E+04 ppm1 9.157 ppm2 8.657 ASSI { 667} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 667 weight 0.10000E+01 volume 0.17950E+05 ppm1 8.386 ppm2 8.668 ASSI { 668} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 2.500 0.800 0.800 peak 668 weight 0.10000E+01 volume 0.30000E+05 ppm1 8.386 ppm2 8.036 ASSI { 669} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 669 weight 0.10000E+01 volume 0.78280E+04 ppm1 8.386 ppm2 4.656 ASSI { 670} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB3 )) 3.200 1.300 1.300 peak 670 weight 0.10000E+01 volume 0.73170E+04 ppm1 8.386 ppm2 2.727 OR { 670} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 672} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 672 weight 0.10000E+01 volume 0.38540E+05 ppm1 8.386 ppm2 2.306 ASSI { 673} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG )) 2.300 2.300 3.200 peak 673 weight 0.10000E+01 volume 0.46660E+05 ppm1 8.386 ppm2 1.951 ASSI { 674} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.600 0.800 0.800 peak 674 weight 0.10000E+01 volume 0.25260E+05 ppm1 8.386 ppm2 1.552 ASSI { 675} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD2%) 2.400 2.400 3.100 peak 675 weight 0.10000E+01 volume 0.33950E+05 ppm1 8.386 ppm2 0.965 ASSI { 677} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.000 3.000 2.500 peak 677 weight 0.10000E+01 volume 0.10650E+05 ppm1 8.040 ppm2 2.295 ASSI { 678} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG )) 3.300 1.400 1.400 peak 678 weight 0.10000E+01 volume 0.57760E+04 ppm1 8.050 ppm2 1.948 ASSI { 679} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB3 )) 3.000 1.100 1.100 peak 679 weight 0.10000E+01 volume 0.99780E+04 ppm1 8.060 ppm2 1.554 ASSI { 680} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HD2%) 3.200 1.300 1.300 peak 680 weight 0.10000E+01 volume 0.72480E+04 ppm1 8.051 ppm2 0.964 ASSI { 681} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HA )) 3.600 3.600 1.900 peak 681 weight 0.10000E+01 volume 0.31040E+04 ppm1 8.043 ppm2 4.678 ASSI { 683} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 683 weight 0.10000E+01 volume 0.15840E+05 ppm1 8.051 ppm2 4.194 ASSI { 684} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA1 )) 2.400 0.700 0.700 peak 684 weight 0.10000E+01 volume 0.38540E+05 ppm1 7.932 ppm2 4.079 ASSI { 687} (( segid " " and resid 62 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.700 2.700 2.800 peak 687 weight 0.10000E+01 volume 0.17840E+05 ppm1 7.932 ppm2 2.273 ASSI { 688} (( segid " " and resid 62 and name HN )) (( segid " " and resid 79 and name HB3 )) 3.100 1.200 1.200 peak 688 weight 0.10000E+01 volume 0.88500E+04 ppm1 7.932 ppm2 2.073 ASSI { 690} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HG2%) 2.900 1.100 1.100 peak 690 weight 0.10000E+01 volume 0.11380E+05 ppm1 7.932 ppm2 0.887 ASSI { 691} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.200 0.600 0.600 peak 691 weight 0.10000E+01 volume 0.66440E+05 ppm1 9.334 ppm2 5.343 ASSI { 692} (( segid " " and resid 63 and name HN )) (( segid " " and resid 55 and name HA )) 2.800 2.800 2.700 peak 692 weight 0.10000E+01 volume 0.14540E+05 ppm1 9.334 ppm2 4.567 ASSI { 693} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 693 weight 0.10000E+01 volume 0.19130E+05 ppm1 9.334 ppm2 2.772 ASSI { 694} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB3 )) 2.800 1.000 1.000 peak 694 weight 0.10000E+01 volume 0.14500E+05 ppm1 9.334 ppm2 2.472 ASSI { 695} (( segid " " and resid 63 and name HN )) (( segid " " and resid 54 and name HB )) 2.900 1.100 1.100 peak 695 weight 0.10000E+01 volume 0.12580E+05 ppm1 9.334 ppm2 1.574 ASSI { 697} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 2.700 0.900 0.900 peak 697 weight 0.10000E+01 volume 0.17250E+05 ppm1 9.334 ppm2 0.876 ASSI { 699} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HD% ) 2.600 2.600 2.900 peak 699 weight 0.10000E+01 volume 0.21470E+05 ppm1 9.334 ppm2 6.939 ASSI { 701} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB )) 2.700 0.900 0.900 peak 701 weight 0.10000E+01 volume 0.20980E+05 ppm1 7.924 ppm2 1.885 ASSI { 703} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG1%) 2.700 2.700 2.800 peak 703 weight 0.10000E+01 volume 0.18720E+05 ppm1 7.924 ppm2 0.876 ASSI { 704} (( segid " " and resid 64 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.000 1.100 1.100 peak 704 weight 0.10000E+01 volume 0.10880E+05 ppm1 7.924 ppm2 3.769 ASSI { 706} (( segid " " and resid 64 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.000 1.100 1.100 peak 706 weight 0.10000E+01 volume 0.10010E+05 ppm1 7.924 ppm2 3.680 ASSI { 708} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.100 1.200 1.200 peak 708 weight 0.10000E+01 volume 0.83620E+04 ppm1 7.924 ppm2 2.483 ASSI { 709} (( segid " " and resid 65 and name HN )) (( segid " " and resid 53 and name HA )) 3.000 1.100 1.100 peak 709 weight 0.10000E+01 volume 0.10090E+05 ppm1 9.702 ppm2 5.055 ASSI { 710} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.100 0.600 0.600 peak 710 weight 0.10000E+01 volume 0.74260E+05 ppm1 9.702 ppm2 4.955 ASSI { 711} (( segid " " and resid 65 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.300 1.400 1.400 peak 711 weight 0.10000E+01 volume 0.61460E+04 ppm1 9.702 ppm2 2.095 ASSI { 712} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB )) 3.400 1.400 1.400 peak 712 weight 0.10000E+01 volume 0.50690E+04 ppm1 9.717 ppm2 1.872 ASSI { 713} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB )) 2.700 0.900 0.900 peak 713 weight 0.10000E+01 volume 0.17360E+05 ppm1 9.704 ppm2 1.742 ASSI { 714} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG12)) 2.900 1.100 1.100 peak 714 weight 0.10000E+01 volume 0.12280E+05 ppm1 9.701 ppm2 1.600 ASSI { 716} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG13)) 3.000 3.000 2.500 peak 716 weight 0.10000E+01 volume 0.10700E+05 ppm1 9.702 ppm2 0.998 ASSI { 717} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 2.500 0.800 0.800 peak 717 weight 0.10000E+01 volume 0.33270E+05 ppm1 9.702 ppm2 0.887 ASSI { 718} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HD1%) 2.900 1.100 1.100 peak 718 weight 0.10000E+01 volume 0.11910E+05 ppm1 9.702 ppm2 0.688 ASSI { 719} (( segid " " and resid 65 and name HN )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 719 weight 0.10000E+01 volume 0.14500E+05 ppm1 9.702 ppm2 9.599 ASSI { 721} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.400 0.700 0.700 peak 721 weight 0.10000E+01 volume 0.39130E+05 ppm1 9.621 ppm2 5.219 ASSI { 726} (( segid " " and resid 94 and name HN )) ( segid " " and resid 89 and name HG2%) 3.000 1.100 1.100 peak 726 weight 0.10000E+01 volume 0.99620E+04 ppm1 9.614 ppm2 1.176 ASSI { 727} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HG1%) 2.900 1.100 1.100 peak 727 weight 0.10000E+01 volume 0.11470E+05 ppm1 9.596 ppm2 0.799 ASSI { 730} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HE% ) 3.100 3.100 2.400 peak 730 weight 0.10000E+01 volume 0.86230E+04 ppm1 9.596 ppm2 6.806 ASSI { 736} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 2.700 0.900 0.900 peak 736 weight 0.10000E+01 volume 0.18340E+05 ppm1 9.596 ppm2 3.412 ASSI { 738} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB3 )) 3.000 1.100 1.100 peak 738 weight 0.10000E+01 volume 0.98840E+04 ppm1 9.596 ppm2 3.106 ASSI { 741} (( segid " " and resid 66 and name HN )) (( segid " " and resid 75 and name HN )) 2.900 1.100 1.100 peak 741 weight 0.10000E+01 volume 0.11170E+05 ppm1 9.623 ppm2 9.504 ASSI { 742} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.300 0.700 0.700 peak 742 weight 0.10000E+01 volume 0.53990E+05 ppm1 8.443 ppm2 5.818 ASSI { 743} (( segid " " and resid 67 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 743 weight 0.10000E+01 volume 0.79530E+04 ppm1 8.443 ppm2 4.503 ASSI { 744} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.700 0.900 0.900 peak 744 weight 0.10000E+01 volume 0.16860E+05 ppm1 8.443 ppm2 2.883 ASSI { 745} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB3 )) 2.900 1.100 1.100 peak 745 weight 0.10000E+01 volume 0.12240E+05 ppm1 8.443 ppm2 2.531 ASSI { 746} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB3 )) 2.800 1.000 1.000 peak 746 weight 0.10000E+01 volume 0.13720E+05 ppm1 8.443 ppm2 1.933 OR { 746} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 747} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD3 )) 2.800 2.800 2.700 peak 747 weight 0.10000E+01 volume 0.13670E+05 ppm1 8.443 ppm2 1.756 OR { 747} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD2 )) ASSI { 749} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.000 1.100 1.100 peak 749 weight 0.10000E+01 volume 0.93620E+04 ppm1 8.452 ppm2 1.469 OR { 749} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG3 )) ASSI { 750} (( segid " " and resid 67 and name HN )) ( segid " " and resid 51 and name HG1%) 3.200 3.200 2.300 peak 750 weight 0.10000E+01 volume 0.67730E+04 ppm1 8.450 ppm2 0.847 ASSI { 751} (( segid " " and resid 67 and name HN )) ( segid " " and resid 23 and name HD1%) 2.900 1.100 1.100 peak 751 weight 0.10000E+01 volume 0.12400E+05 ppm1 8.453 ppm2 0.725 ASSI { 752} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE2 )) 2.800 2.800 2.700 peak 752 weight 0.10000E+01 volume 0.13770E+05 ppm1 8.443 ppm2 2.919 OR { 752} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE3 )) ASSI { 754} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.500 0.800 0.800 peak 754 weight 0.10000E+01 volume 0.33540E+05 ppm1 7.808 ppm2 4.107 ASSI { 757} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HD2 )) 3.400 1.400 1.400 peak 757 weight 0.10000E+01 volume 0.49250E+04 ppm1 7.808 ppm2 1.766 OR { 757} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HD3 )) ASSI { 760} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB3 )) 3.100 1.200 1.200 peak 760 weight 0.10000E+01 volume 0.82140E+04 ppm1 7.810 ppm2 0.593 ASSI { 761} (( segid " " and resid 68 and name HN )) (( segid " " and resid 74 and name HA )) 3.300 1.400 1.400 peak 761 weight 0.10000E+01 volume 0.51900E+04 ppm1 7.803 ppm2 4.628 ASSI { 762} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.700 0.900 0.900 peak 762 weight 0.10000E+01 volume 0.20440E+05 ppm1 8.586 ppm2 4.421 ASSI { 765} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HD3 )) 3.000 3.000 2.500 peak 765 weight 0.10000E+01 volume 0.93050E+04 ppm1 8.568 ppm2 3.383 ASSI { 766} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 3.400 1.400 1.400 peak 766 weight 0.10000E+01 volume 0.49310E+04 ppm1 7.014 ppm2 4.233 ASSI { 767} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HD2 )) 3.300 3.300 2.200 peak 767 weight 0.10000E+01 volume 0.53670E+04 ppm1 7.014 ppm2 3.693 ASSI { 768} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HD3 )) 3.200 1.300 1.300 peak 768 weight 0.10000E+01 volume 0.62500E+04 ppm1 7.014 ppm2 3.376 ASSI { 769} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 769 weight 0.10000E+01 volume 0.76920E+04 ppm1 7.014 ppm2 3.059 ASSI { 770} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 2.700 0.900 0.900 peak 770 weight 0.10000E+01 volume 0.17500E+05 ppm1 7.034 ppm2 2.271 ASSI { 772} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB3 )) 3.400 1.400 1.400 peak 772 weight 0.10000E+01 volume 0.51020E+04 ppm1 7.034 ppm2 1.986 ASSI { 773} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HG3 )) 3.000 1.100 1.100 peak 773 weight 0.10000E+01 volume 0.95890E+04 ppm1 7.034 ppm2 1.671 ASSI { 778} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 2.600 0.800 0.800 peak 778 weight 0.10000E+01 volume 0.21920E+05 ppm1 7.024 ppm2 7.909 ASSI { 780} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HD2 )) 3.300 1.400 1.400 peak 780 weight 0.10000E+01 volume 0.59450E+04 ppm1 8.568 ppm2 3.682 ASSI { 783} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 3.000 1.100 1.100 peak 783 weight 0.10000E+01 volume 0.98620E+04 ppm1 7.918 ppm2 7.122 ASSI { 787} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HA )) 3.000 1.100 1.100 peak 787 weight 0.10000E+01 volume 0.10720E+05 ppm1 7.926 ppm2 4.188 ASSI { 788} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 3.100 1.200 1.200 peak 788 weight 0.10000E+01 volume 0.78730E+04 ppm1 7.920 ppm2 4.022 ASSI { 789} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.500 0.800 0.800 peak 789 weight 0.10000E+01 volume 0.29220E+05 ppm1 7.908 ppm2 2.120 ASSI { 791} (( segid " " and resid 111 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.000 1.100 1.100 peak 791 weight 0.10000E+01 volume 0.10960E+05 ppm1 7.908 ppm2 1.498 ASSI { 792} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.200 1.300 1.300 peak 792 weight 0.10000E+01 volume 0.66360E+04 ppm1 7.908 ppm2 1.381 ASSI { 793} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD3 )) 3.000 3.000 2.500 peak 793 weight 0.10000E+01 volume 0.98840E+04 ppm1 7.908 ppm2 1.240 OR { 793} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) ASSI { 796} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 796 weight 0.10000E+01 volume 0.28720E+05 ppm1 9.295 ppm2 5.701 ASSI { 797} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 797 weight 0.10000E+01 volume 0.13670E+05 ppm1 9.303 ppm2 2.980 ASSI { 798} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB3 )) 3.000 1.100 1.100 peak 798 weight 0.10000E+01 volume 0.91000E+04 ppm1 9.295 ppm2 2.390 ASSI { 799} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.200 1.300 1.300 peak 799 weight 0.10000E+01 volume 0.67000E+04 ppm1 7.128 ppm2 2.291 ASSI { 800} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB3 )) 2.900 1.100 1.100 peak 800 weight 0.10000E+01 volume 0.11440E+05 ppm1 7.125 ppm2 1.982 ASSI { 801} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 801 weight 0.10000E+01 volume 0.16840E+05 ppm1 7.125 ppm2 2.106 ASSI { 802} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG3 )) 3.200 1.300 1.300 peak 802 weight 0.10000E+01 volume 0.62500E+04 ppm1 7.132 ppm2 2.800 OR { 802} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 803} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 803 weight 0.10000E+01 volume 0.14540E+05 ppm1 8.525 ppm2 5.782 ASSI { 806} (( segid " " and resid 74 and name HN )) (( segid " " and resid 93 and name HZ3 )) 2.900 1.100 1.100 peak 806 weight 0.10000E+01 volume 0.12470E+05 ppm1 8.518 ppm2 7.556 ASSI { 807} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 807 weight 0.10000E+01 volume 0.34900E+05 ppm1 9.500 ppm2 4.644 ASSI { 808} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 22 and name HG2%) 2.600 0.800 0.800 peak 808 weight 0.10000E+01 volume 0.21110E+05 ppm1 9.906 ppm2 1.111 ASSI { 810} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG12)) 2.700 2.700 2.800 peak 810 weight 0.10000E+01 volume 0.16840E+05 ppm1 9.494 ppm2 0.489 ASSI { 811} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 93 and name HZ2 )) 2.800 1.000 1.000 peak 811 weight 0.10000E+01 volume 0.13980E+05 ppm1 9.906 ppm2 6.487 ASSI { 812} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 22 and name HG1 )) 2.900 1.100 1.100 peak 812 weight 0.10000E+01 volume 0.12000E+05 ppm1 9.906 ppm2 5.572 ASSI { 813} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.400 0.700 0.700 peak 813 weight 0.10000E+01 volume 0.33950E+05 ppm1 8.717 ppm2 5.666 ASSI { 814} (( segid " " and resid 76 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.200 3.200 2.300 peak 814 weight 0.10000E+01 volume 0.68370E+04 ppm1 8.717 ppm2 3.412 ASSI { 815} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.500 1.500 1.500 peak 815 weight 0.10000E+01 volume 0.41130E+04 ppm1 8.717 ppm2 3.329 ASSI { 816} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.900 1.100 1.100 peak 816 weight 0.10000E+01 volume 0.12240E+05 ppm1 8.717 ppm2 1.909 ASSI { 817} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.100 1.200 1.200 peak 817 weight 0.10000E+01 volume 0.88620E+04 ppm1 8.717 ppm2 1.510 ASSI { 818} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 3.300 1.400 1.400 peak 818 weight 0.10000E+01 volume 0.58410E+04 ppm1 8.717 ppm2 0.985 ASSI { 819} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.900 1.100 1.100 peak 819 weight 0.10000E+01 volume 0.13350E+05 ppm1 9.095 ppm2 3.982 ASSI { 820} (( segid " " and resid 77 and name HN )) (( segid " " and resid 65 and name HA )) 2.900 1.100 1.100 peak 820 weight 0.10000E+01 volume 0.12640E+05 ppm1 9.268 ppm2 5.233 ASSI { 821} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.200 0.600 0.600 peak 821 weight 0.10000E+01 volume 0.62350E+05 ppm1 9.268 ppm2 5.351 ASSI { 823} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.600 0.800 0.800 peak 823 weight 0.10000E+01 volume 0.21180E+05 ppm1 9.277 ppm2 3.771 ASSI { 824} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB3 )) 2.800 1.000 1.000 peak 824 weight 0.10000E+01 volume 0.16660E+05 ppm1 9.277 ppm2 3.662 ASSI { 831} (( segid " " and resid 77 and name HN )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 831 weight 0.10000E+01 volume 0.27220E+05 ppm1 9.268 ppm2 7.922 ASSI { 833} (( segid " " and resid 78 and name HN )) (( segid " " and resid 83 and name HA )) 3.000 1.100 1.100 peak 833 weight 0.10000E+01 volume 0.10570E+05 ppm1 7.567 ppm2 5.386 ASSI { 835} (( segid " " and resid 78 and name HN )) (( segid " " and resid 82 and name HN )) 3.300 1.400 1.400 peak 835 weight 0.10000E+01 volume 0.60010E+04 ppm1 7.567 ppm2 7.922 ASSI { 837} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.400 0.700 0.700 peak 837 weight 0.10000E+01 volume 0.40810E+05 ppm1 7.567 ppm2 4.490 ASSI { 839} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB3 )) 3.000 1.100 1.100 peak 839 weight 0.10000E+01 volume 0.10380E+05 ppm1 7.567 ppm2 3.864 ASSI { 840} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.300 1.400 1.400 peak 840 weight 0.10000E+01 volume 0.58570E+04 ppm1 7.582 ppm2 3.771 ASSI { 841} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.300 1.400 1.400 peak 841 weight 0.10000E+01 volume 0.55110E+04 ppm1 7.582 ppm2 3.654 ASSI { 842} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 842 weight 0.10000E+01 volume 0.10700E+05 ppm1 7.835 ppm2 4.383 ASSI { 843} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.400 1.400 1.400 peak 843 weight 0.10000E+01 volume 0.45950E+04 ppm1 7.835 ppm2 4.148 ASSI { 845} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB3 )) 3.200 1.300 1.300 peak 845 weight 0.10000E+01 volume 0.66920E+04 ppm1 7.835 ppm2 3.864 ASSI { 846} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HD2 )) 3.100 1.200 1.200 peak 846 weight 0.10000E+01 volume 0.78390E+04 ppm1 7.835 ppm2 2.626 ASSI { 847} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HD3 )) 2.800 1.000 1.000 peak 847 weight 0.10000E+01 volume 0.14020E+05 ppm1 7.835 ppm2 2.484 ASSI { 849} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.400 1.400 1.400 peak 849 weight 0.10000E+01 volume 0.51340E+04 ppm1 7.835 ppm2 2.083 OR { 849} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB3 )) ASSI { 850} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG2 )) 2.900 2.900 2.600 peak 850 weight 0.10000E+01 volume 0.13320E+05 ppm1 7.835 ppm2 1.670 OR { 850} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG3 )) ASSI { 851} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG3 )) 3.300 3.300 2.200 peak 851 weight 0.10000E+01 volume 0.61540E+04 ppm1 7.835 ppm2 1.505 ASSI { 853} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.400 0.700 0.700 peak 853 weight 0.10000E+01 volume 0.41070E+05 ppm1 7.836 ppm2 8.225 ASSI { 855} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 855 weight 0.10000E+01 volume 0.21560E+05 ppm1 8.228 ppm2 4.159 ASSI { 856} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HB3 )) 3.000 3.000 2.500 peak 856 weight 0.10000E+01 volume 0.10300E+05 ppm1 8.231 ppm2 3.841 ASSI { 859} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 2.600 0.800 0.800 peak 859 weight 0.10000E+01 volume 0.21340E+05 ppm1 7.946 ppm2 8.226 ASSI { 860} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 860 weight 0.10000E+01 volume 0.10990E+05 ppm1 8.230 ppm2 3.714 ASSI { 862} (( segid " " and resid 82 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 862 weight 0.10000E+01 volume 0.14180E+05 ppm1 7.941 ppm2 4.148 ASSI { 865} (( segid " " and resid 84 and name HN )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 865 weight 0.10000E+01 volume 0.13050E+05 ppm1 9.095 ppm2 4.490 ASSI { 866} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 866 weight 0.10000E+01 volume 0.67720E+05 ppm1 9.095 ppm2 5.386 ASSI { 867} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.200 1.300 1.300 peak 867 weight 0.10000E+01 volume 0.72260E+04 ppm1 9.095 ppm2 2.130 ASSI { 868} (( segid " " and resid 84 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.300 1.400 1.400 peak 868 weight 0.10000E+01 volume 0.52700E+04 ppm1 9.095 ppm2 1.897 ASSI { 869} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.000 1.100 1.100 peak 869 weight 0.10000E+01 volume 0.91460E+04 ppm1 9.095 ppm2 1.776 ASSI { 870} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.900 1.100 1.100 peak 870 weight 0.10000E+01 volume 0.11650E+05 ppm1 9.095 ppm2 1.375 ASSI { 872} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB3 )) 3.000 1.100 1.100 peak 872 weight 0.10000E+01 volume 0.10280E+05 ppm1 9.095 ppm2 0.656 ASSI { 873} (( segid " " and resid 84 and name HN )) (( segid " " and resid 76 and name HN )) 3.100 1.200 1.200 peak 873 weight 0.10000E+01 volume 0.77480E+04 ppm1 9.095 ppm2 8.701 ASSI { 877} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 3.000 1.100 1.100 peak 877 weight 0.10000E+01 volume 0.10620E+05 ppm1 6.381 ppm2 1.654 ASSI { 878} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG2 )) 3.100 1.200 1.200 peak 878 weight 0.10000E+01 volume 0.84190E+04 ppm1 6.378 ppm2 1.042 ASSI { 879} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB3 )) 2.800 1.000 1.000 peak 879 weight 0.10000E+01 volume 0.15630E+05 ppm1 6.381 ppm2 0.656 ASSI { 0} (( segid " " and resid 85 and name HN )) ( segid " " and resid 95 and name HE% ) 2.900 1.100 1.100 peak 0 weight 0.10000E+01 volume 0.11280E+05 ppm1 6.382 ppm2 6.958 ASSI { 0} (( segid " " and resid 85 and name HN )) ( segid " " and resid 95 and name HD% ) 2.900 1.100 1.100 peak 0 weight 0.10000E+01 volume 0.12210E+05 ppm1 6.376 ppm2 7.666 ASSI { 884} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.300 0.700 0.700 peak 884 weight 0.10000E+01 volume 0.43640E+05 ppm1 6.381 ppm2 3.971 ASSI { 885} (( segid " " and resid 86 and name HN )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 885 weight 0.10000E+01 volume 0.68210E+04 ppm1 9.596 ppm2 5.669 ASSI { 886} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 2.900 1.100 1.100 peak 886 weight 0.10000E+01 volume 0.12420E+05 ppm1 8.915 ppm2 2.885 ASSI { 887} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB3 )) 2.800 1.000 1.000 peak 887 weight 0.10000E+01 volume 0.14180E+05 ppm1 8.915 ppm2 2.720 ASSI { 889} (( segid " " and resid 88 and name HN )) (( segid " " and resid 93 and name HZ3 )) 3.400 1.400 1.400 peak 889 weight 0.10000E+01 volume 0.51020E+04 ppm1 9.295 ppm2 7.557 ASSI { 890} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HD1 )) 2.600 0.800 0.800 peak 890 weight 0.10000E+01 volume 0.21530E+05 ppm1 10.464 ppm2 6.813 ASSI { 891} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 75 and name HZ2 )) 2.900 1.100 1.100 peak 891 weight 0.10000E+01 volume 0.12130E+05 ppm1 10.464 ppm2 7.285 ASSI { 893} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 73 and name HG2 )) 3.000 3.000 2.500 peak 893 weight 0.10000E+01 volume 0.99300E+04 ppm1 10.464 ppm2 2.808 ASSI { 894} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 894 weight 0.10000E+01 volume 0.81800E+04 ppm1 10.464 ppm2 2.296 ASSI { 895} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 73 and name HB3 )) 2.800 1.000 1.000 peak 895 weight 0.10000E+01 volume 0.13980E+05 ppm1 10.464 ppm2 1.970 ASSI { 896} (( segid " " and resid 75 and name HE1 )) (( segid " " and resid 85 and name HB3 )) 3.300 1.400 1.400 peak 896 weight 0.10000E+01 volume 0.58970E+04 ppm1 10.464 ppm2 1.438 ASSI { 897} (( segid " " and resid 89 and name HN )) (( segid " " and resid 92 and name HN )) 3.200 1.300 1.300 peak 897 weight 0.10000E+01 volume 0.72480E+04 ppm1 8.284 ppm2 6.614 ASSI { 898} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 2.800 1.000 1.000 peak 898 weight 0.10000E+01 volume 0.16750E+05 ppm1 8.284 ppm2 7.016 ASSI { 900} (( segid " " and resid 89 and name HN )) (( segid " " and resid 93 and name HA )) 3.300 1.400 1.400 peak 900 weight 0.10000E+01 volume 0.53590E+04 ppm1 8.305 ppm2 5.761 ASSI { 902} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HE3 )) 3.200 1.300 1.300 peak 902 weight 0.10000E+01 volume 0.73620E+04 ppm1 8.284 ppm2 5.061 ASSI { 903} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA1 )) 3.300 1.400 1.400 peak 903 weight 0.10000E+01 volume 0.54470E+04 ppm1 4.391 ppm2 4.257 ASSI { 904} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA2 )) 3.500 1.500 1.500 peak 904 weight 0.10000E+01 volume 0.41980E+04 ppm1 4.391 ppm2 3.162 ASSI { 905} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HN )) 3.200 3.200 2.300 peak 905 weight 0.10000E+01 volume 0.73510E+04 ppm1 6.623 ppm2 4.370 ASSI { 906} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 3.300 1.400 1.400 peak 906 weight 0.10000E+01 volume 0.59130E+04 ppm1 6.631 ppm2 4.148 ASSI { 907} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB3 )) 3.100 1.200 1.200 peak 907 weight 0.10000E+01 volume 0.79530E+04 ppm1 6.614 ppm2 1.457 OR { 907} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) ASSI { 908} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA1 )) 3.300 1.400 1.400 peak 908 weight 0.10000E+01 volume 0.52300E+04 ppm1 6.670 ppm2 4.268 ASSI { 909} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 3.100 1.200 1.200 peak 909 weight 0.10000E+01 volume 0.85100E+04 ppm1 6.670 ppm2 4.369 ASSI { 911} (( segid " " and resid 92 and name HN )) ( segid " " and resid 89 and name HG2%) 3.300 3.300 2.200 peak 911 weight 0.10000E+01 volume 0.55030E+04 ppm1 6.618 ppm2 1.190 ASSI { 912} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HD2 )) 3.300 1.400 1.400 peak 912 weight 0.10000E+01 volume 0.55190E+04 ppm1 6.604 ppm2 1.051 OR { 912} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HD3 )) ASSI { 913} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG3 )) 3.400 1.400 1.400 peak 913 weight 0.10000E+01 volume 0.46750E+04 ppm1 6.620 ppm2 0.807 OR { 913} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG2 )) ASSI { 915} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HD2 )) 3.300 1.400 1.400 peak 915 weight 0.10000E+01 volume 0.60420E+04 ppm1 6.675 ppm2 1.029 OR { 915} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HD3 )) ASSI { 917} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 2.700 0.900 0.900 peak 917 weight 0.10000E+01 volume 0.20760E+05 ppm1 9.018 ppm2 4.559 ASSI { 919} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 2.800 1.000 1.000 peak 919 weight 0.10000E+01 volume 0.15660E+05 ppm1 9.020 ppm2 3.419 ASSI { 920} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB3 )) 2.800 1.000 1.000 peak 920 weight 0.10000E+01 volume 0.13950E+05 ppm1 9.020 ppm2 2.805 ASSI { 922} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.200 1.300 1.300 peak 922 weight 0.10000E+01 volume 0.62910E+04 ppm1 9.020 ppm2 3.319 ASSI { 925} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 2.400 0.700 0.700 peak 925 weight 0.10000E+01 volume 0.41260E+05 ppm1 9.610 ppm2 5.754 ASSI { 928} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB )) 2.600 0.800 0.800 peak 928 weight 0.10000E+01 volume 0.22170E+05 ppm1 9.610 ppm2 1.755 ASSI { 932} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HG2%) 2.600 2.600 2.900 peak 932 weight 0.10000E+01 volume 0.22560E+05 ppm1 9.610 ppm2 0.683 ASSI { 934} (( segid " " and resid 88 and name HE1 )) (( segid " " and resid 88 and name HD1 )) 2.400 0.700 0.700 peak 934 weight 0.10000E+01 volume 0.38310E+05 ppm1 10.047 ppm2 6.914 OR { 934} (( segid " " and resid 88 and name HE1 )) (( segid " " and resid 88 and name HZ2 )) ASSI { 936} (( segid " " and resid 88 and name HE1 )) (( segid " " and resid 90 and name HA2 )) 3.300 1.400 1.400 peak 936 weight 0.10000E+01 volume 0.56880E+04 ppm1 10.047 ppm2 3.150 ASSI { 937} (( segid " " and resid 88 and name HE1 )) ( segid " " and resid 18 and name HD2%) 3.400 1.400 1.400 peak 937 weight 0.10000E+01 volume 0.51420E+04 ppm1 10.047 ppm2 -0.599 ASSI { 938} (( segid " " and resid 94 and name HN )) ( segid " " and resid 86 and name HE% ) 3.200 3.200 2.300 peak 938 weight 0.10000E+01 volume 0.73390E+04 ppm1 9.595 ppm2 6.804 ASSI { 940} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 2.500 0.800 0.800 peak 940 weight 0.10000E+01 volume 0.29310E+05 ppm1 7.935 ppm2 4.886 ASSI { 941} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 2.900 1.100 1.100 peak 941 weight 0.10000E+01 volume 0.13210E+05 ppm1 7.935 ppm2 3.675 ASSI { 942} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB3 )) 2.800 1.000 1.000 peak 942 weight 0.10000E+01 volume 0.13910E+05 ppm1 7.935 ppm2 2.552 ASSI { 943} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB )) 2.900 1.100 1.100 peak 943 weight 0.10000E+01 volume 0.11180E+05 ppm1 7.938 ppm2 1.747 ASSI { 944} (( segid " " and resid 95 and name HN )) ( segid " " and resid 94 and name HG1%) 2.500 2.500 3.000 peak 944 weight 0.10000E+01 volume 0.26740E+05 ppm1 7.935 ppm2 0.757 ASSI { 0} (( segid " " and resid 95 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 0 weight 0.10000E+01 volume 0.92480E+04 ppm1 7.949 ppm2 5.592 ASSI { 946} (( segid " " and resid 95 and name HN )) ( segid " " and resid 86 and name HE% ) 3.100 1.200 1.200 peak 946 weight 0.10000E+01 volume 0.83510E+04 ppm1 7.935 ppm2 6.782 ASSI { 948} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HD% ) 3.300 1.400 1.400 peak 948 weight 0.10000E+01 volume 0.56800E+04 ppm1 7.943 ppm2 7.672 ASSI { 0} (( segid " " and resid 95 and name HN )) (( segid " " and resid 100 and name HN )) 3.400 1.400 1.400 peak 0 weight 0.10000E+01 volume 0.44820E+04 ppm1 7.941 ppm2 8.709 ASSI { 951} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HD% ) 2.700 0.900 0.900 peak 951 weight 0.10000E+01 volume 0.18540E+05 ppm1 9.455 ppm2 7.658 ASSI { 952} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HD1 )) 3.100 1.200 1.200 peak 952 weight 0.10000E+01 volume 0.80440E+04 ppm1 9.026 ppm2 7.618 ASSI { 953} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.400 0.700 0.700 peak 953 weight 0.10000E+01 volume 0.34310E+05 ppm1 9.451 ppm2 5.207 ASSI { 955} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB3 )) 3.400 1.400 1.400 peak 955 weight 0.10000E+01 volume 0.49970E+04 ppm1 8.915 ppm2 3.121 ASSI { 958} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.500 1.500 1.500 peak 958 weight 0.10000E+01 volume 0.41240E+04 ppm1 9.451 ppm2 3.660 ASSI { 959} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.800 1.000 1.000 peak 959 weight 0.10000E+01 volume 0.14590E+05 ppm1 9.451 ppm2 3.923 ASSI { 960} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.900 1.100 1.100 peak 960 weight 0.10000E+01 volume 0.11660E+05 ppm1 5.937 ppm2 2.377 ASSI { 961} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.100 1.200 1.200 peak 961 weight 0.10000E+01 volume 0.80780E+04 ppm1 5.937 ppm2 2.114 ASSI { 962} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 3.400 1.400 1.400 peak 962 weight 0.10000E+01 volume 0.45900E+04 ppm1 5.951 ppm2 6.769 ASSI { 966} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 2.200 0.600 0.600 peak 966 weight 0.10000E+01 volume 0.70350E+05 ppm1 6.771 ppm2 8.664 ASSI { 969} (( segid " " and resid 98 and name HN )) ( segid " " and resid 95 and name HD% ) 3.000 1.100 1.100 peak 969 weight 0.10000E+01 volume 0.10910E+05 ppm1 6.779 ppm2 7.657 ASSI { 970} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 2.900 1.100 1.100 peak 970 weight 0.10000E+01 volume 0.12400E+05 ppm1 6.776 ppm2 4.074 ASSI { 971} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HA2 )) 3.200 1.300 1.300 peak 971 weight 0.10000E+01 volume 0.68770E+04 ppm1 6.776 ppm2 3.568 ASSI { 972} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.000 1.100 1.100 peak 972 weight 0.10000E+01 volume 0.95660E+04 ppm1 6.767 ppm2 2.391 ASSI { 973} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 973 weight 0.10000E+01 volume 0.96690E+04 ppm1 6.767 ppm2 2.099 ASSI { 974} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 3.400 1.400 1.400 peak 974 weight 0.10000E+01 volume 0.51180E+04 ppm1 6.773 ppm2 3.945 ASSI { 976} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 3.200 1.300 1.300 peak 976 weight 0.10000E+01 volume 0.71580E+04 ppm1 8.669 ppm2 3.955 ASSI { 977} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB3 )) 3.100 1.200 1.200 peak 977 weight 0.10000E+01 volume 0.84530E+04 ppm1 8.669 ppm2 2.420 ASSI { 978} (( segid " " and resid 99 and name HN )) ( segid " " and resid 100 and name HG2%) 3.300 1.400 1.400 peak 978 weight 0.10000E+01 volume 0.52060E+04 ppm1 8.669 ppm2 0.903 ASSI { 980} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.000 1.100 1.100 peak 980 weight 0.10000E+01 volume 0.10270E+05 ppm1 8.672 ppm2 4.697 ASSI { 981} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA2 )) 2.900 1.100 1.100 peak 981 weight 0.10000E+01 volume 0.13220E+05 ppm1 8.699 ppm2 3.558 ASSI { 983} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HG1%) 2.900 1.100 1.100 peak 983 weight 0.10000E+01 volume 0.12440E+05 ppm1 8.699 ppm2 1.253 ASSI { 984} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HG2%) 2.300 0.700 0.700 peak 984 weight 0.10000E+01 volume 0.52000E+05 ppm1 8.699 ppm2 0.889 ASSI { 985} (( segid " " and resid 100 and name HN )) ( segid " " and resid 94 and name HG2%) 3.100 1.200 1.200 peak 985 weight 0.10000E+01 volume 0.74640E+04 ppm1 8.699 ppm2 0.758 ASSI { 986} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HN )) 3.400 1.400 1.400 peak 986 weight 0.10000E+01 volume 0.46300E+04 ppm1 8.699 ppm2 6.753 ASSI { 987} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG )) 3.200 1.300 1.300 peak 987 weight 0.10000E+01 volume 0.72030E+04 ppm1 8.308 ppm2 0.757 ASSI { 988} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.000 2.000 3.500 peak 988 weight 0.10000E+01 volume 0.11090E+06 ppm1 9.254 ppm2 4.113 ASSI { 989} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HG3 )) 3.400 1.400 1.400 peak 989 weight 0.10000E+01 volume 0.48340E+04 ppm1 9.257 ppm2 2.324 OR { 989} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HG2 )) ASSI { 990} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB )) 2.600 2.600 2.900 peak 990 weight 0.10000E+01 volume 0.22910E+05 ppm1 9.254 ppm2 2.435 ASSI { 991} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.900 1.100 1.100 peak 991 weight 0.10000E+01 volume 0.11120E+05 ppm1 9.254 ppm2 2.027 ASSI { 992} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HG1%) 2.500 0.800 0.800 peak 992 weight 0.10000E+01 volume 0.32770E+05 ppm1 9.254 ppm2 1.253 ASSI { 993} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HG2%) 3.000 1.100 1.100 peak 993 weight 0.10000E+01 volume 0.10330E+05 ppm1 9.254 ppm2 0.889 ASSI { 994} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 994 weight 0.10000E+01 volume 0.90320E+04 ppm1 9.254 ppm2 4.696 ASSI { 995} (( segid " " and resid 101 and name HN )) ( segid " " and resid 94 and name HG2%) 3.300 1.400 1.400 peak 995 weight 0.10000E+01 volume 0.59210E+04 ppm1 9.254 ppm2 0.743 ASSI { 996} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.800 0.800 peak 996 weight 0.10000E+01 volume 0.24810E+05 ppm1 8.312 ppm2 5.586 ASSI { 997} (( segid " " and resid 102 and name HN )) (( segid " " and resid 94 and name HA )) 3.000 1.100 1.100 peak 997 weight 0.10000E+01 volume 0.91800E+04 ppm1 8.308 ppm2 4.886 ASSI { 998} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB3 )) 3.000 1.100 1.100 peak 998 weight 0.10000E+01 volume 0.94300E+04 ppm1 8.308 ppm2 4.113 ASSI { 999} (( segid " " and resid 102 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.100 1.200 1.200 peak 999 weight 0.10000E+01 volume 0.74760E+04 ppm1 8.308 ppm2 3.412 ASSI { 1000} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.600 0.800 0.800 peak 1000 weight 0.10000E+01 volume 0.21530E+05 ppm1 8.322 ppm2 1.414 ASSI { 1001} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB3 )) 2.700 0.900 0.900 peak 1001 weight 0.10000E+01 volume 0.20980E+05 ppm1 8.320 ppm2 0.369 ASSI { 1002} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HD1%) 3.400 1.400 1.400 peak 1002 weight 0.10000E+01 volume 0.43280E+04 ppm1 8.308 ppm2 0.232 ASSI { 1003} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HD2%) 3.600 1.600 1.600 peak 1003 weight 0.10000E+01 volume 0.31530E+04 ppm1 8.308 ppm2 0.145 ASSI { 1004} (( segid " " and resid 102 and name HN )) ( segid " " and resid 86 and name HE% ) 3.500 1.500 1.500 peak 1004 weight 0.10000E+01 volume 0.37600E+04 ppm1 8.312 ppm2 6.782 ASSI { 1005} (( segid " " and resid 102 and name HN )) ( segid " " and resid 86 and name HD% ) 3.100 1.200 1.200 peak 1005 weight 0.10000E+01 volume 0.85320E+04 ppm1 8.312 ppm2 6.972 ASSI { 1008} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 1008 weight 0.10000E+01 volume 0.74640E+04 ppm1 7.626 ppm2 3.515 ASSI { 1009} (( segid " " and resid 103 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.400 1.400 1.400 peak 1009 weight 0.10000E+01 volume 0.50290E+04 ppm1 7.626 ppm2 3.412 ASSI { 1013} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.600 0.800 0.800 peak 1013 weight 0.10000E+01 volume 0.25000E+05 ppm1 7.621 ppm2 1.414 ASSI { 1014} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG )) 3.000 1.100 1.100 peak 1014 weight 0.10000E+01 volume 0.99620E+04 ppm1 7.621 ppm2 0.728 ASSI { 1016} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB3 )) 2.900 1.100 1.100 peak 1016 weight 0.10000E+01 volume 0.12050E+05 ppm1 7.621 ppm2 0.363 ASSI { 1018} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 3.000 1.100 1.100 peak 1018 weight 0.10000E+01 volume 0.10620E+05 ppm1 7.639 ppm2 8.297 ASSI { 1019} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 2.800 1.000 1.000 peak 1019 weight 0.10000E+01 volume 0.16500E+05 ppm1 8.243 ppm2 7.614 ASSI { 1020} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HN )) 2.700 0.900 0.900 peak 1020 weight 0.10000E+01 volume 0.20760E+05 ppm1 8.243 ppm2 8.504 ASSI { 1021} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 3.300 1.400 1.400 peak 1021 weight 0.10000E+01 volume 0.53100E+04 ppm1 8.243 ppm2 3.643 ASSI { 1023} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 1023 weight 0.10000E+01 volume 0.12690E+05 ppm1 8.243 ppm2 2.858 OR { 1023} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) ASSI { 1024} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 1024 weight 0.10000E+01 volume 0.35270E+05 ppm1 8.243 ppm2 2.435 ASSI { 1026} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.600 0.800 0.800 peak 1026 weight 0.10000E+01 volume 0.21880E+05 ppm1 8.248 ppm2 2.028 ASSI { 1027} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 3.000 1.100 1.100 peak 1027 weight 0.10000E+01 volume 0.93160E+04 ppm1 8.243 ppm2 1.253 OR { 1027} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG3 )) ASSI { 1028} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.600 0.800 0.800 peak 1028 weight 0.10000E+01 volume 0.22170E+05 ppm1 8.504 ppm2 8.139 ASSI { 1030} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 3.100 1.200 1.200 peak 1030 weight 0.10000E+01 volume 0.84530E+04 ppm1 8.504 ppm2 3.996 ASSI { 1031} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.700 2.700 2.800 peak 1031 weight 0.10000E+01 volume 0.17470E+05 ppm1 8.504 ppm2 2.420 ASSI { 1032} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.800 1.000 1.000 peak 1032 weight 0.10000E+01 volume 0.16750E+05 ppm1 8.504 ppm2 2.027 ASSI { 1033} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG3 )) 2.500 2.500 3.000 peak 1033 weight 0.10000E+01 volume 0.28220E+05 ppm1 8.504 ppm2 1.268 OR { 1033} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG2 )) ASSI { 1034} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.500 0.800 0.800 peak 1034 weight 0.10000E+01 volume 0.31860E+05 ppm1 8.504 ppm2 2.158 ASSI { 1035} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB3 )) 2.300 0.700 0.700 peak 1035 weight 0.10000E+01 volume 0.46920E+05 ppm1 8.504 ppm2 1.895 ASSI { 1036} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG )) 2.900 2.900 2.600 peak 1036 weight 0.10000E+01 volume 0.12310E+05 ppm1 8.504 ppm2 1.662 ASSI { 1037} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HD1%) 2.600 2.600 2.900 peak 1037 weight 0.10000E+01 volume 0.25800E+05 ppm1 8.504 ppm2 0.932 ASSI { 1039} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 3.300 1.400 1.400 peak 1039 weight 0.10000E+01 volume 0.60980E+04 ppm1 8.145 ppm2 4.200 ASSI { 1040} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HA )) 3.400 1.400 1.400 peak 1040 weight 0.10000E+01 volume 0.48340E+04 ppm1 8.145 ppm2 3.646 ASSI { 1041} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.800 1.000 1.000 peak 1041 weight 0.10000E+01 volume 0.14450E+05 ppm1 8.145 ppm2 2.158 ASSI { 1042} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB3 )) 2.800 1.000 1.000 peak 1042 weight 0.10000E+01 volume 0.13870E+05 ppm1 8.145 ppm2 1.895 ASSI { 1044} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HD2%) 2.900 1.100 1.100 peak 1044 weight 0.10000E+01 volume 0.11230E+05 ppm1 8.145 ppm2 0.509 ASSI { 1045} (( segid " " and resid 106 and name HN )) ( segid " " and resid 120 and name HD2%) 3.200 1.300 1.300 peak 1045 weight 0.10000E+01 volume 0.70440E+04 ppm1 8.161 ppm2 0.181 ASSI { 1046} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.600 0.800 0.800 peak 1046 weight 0.10000E+01 volume 0.22110E+05 ppm1 8.145 ppm2 7.964 ASSI { 1048} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 2.900 1.100 1.100 peak 1048 weight 0.10000E+01 volume 0.13180E+05 ppm1 7.975 ppm2 3.821 ASSI { 1049} (( segid " " and resid 107 and name HN )) (( segid " " and resid 104 and name HA )) 3.000 1.100 1.100 peak 1049 weight 0.10000E+01 volume 0.10620E+05 ppm1 7.975 ppm2 4.011 ASSI { 1056} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB3 )) 2.900 1.100 1.100 peak 1056 weight 0.10000E+01 volume 0.12000E+05 ppm1 7.979 ppm2 0.984 ASSI { 1061} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 1061 weight 0.10000E+01 volume 0.19700E+05 ppm1 8.910 ppm2 4.186 ASSI { 1063} (( segid " " and resid 109 and name HN )) (( segid " " and resid 106 and name HA )) 3.100 1.200 1.200 peak 1063 weight 0.10000E+01 volume 0.85890E+04 ppm1 8.910 ppm2 3.806 ASSI { 1065} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HG3 )) 2.600 0.800 0.800 peak 1065 weight 0.10000E+01 volume 0.24070E+05 ppm1 8.910 ppm2 2.960 OR { 1065} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HG2 )) ASSI { 1066} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 1066 weight 0.10000E+01 volume 0.15340E+05 ppm1 8.910 ppm2 2.347 ASSI { 1067} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB3 )) 2.700 0.900 0.900 peak 1067 weight 0.10000E+01 volume 0.17880E+05 ppm1 8.910 ppm2 2.143 ASSI { 1069} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HB% ) 2.300 0.700 0.700 peak 1069 weight 0.10000E+01 volume 0.52190E+05 ppm1 8.910 ppm2 1.633 ASSI { 1070} (( segid " " and resid 109 and name HN )) (( segid " " and resid 106 and name HB3 )) 3.400 3.400 2.100 peak 1070 weight 0.10000E+01 volume 0.50210E+04 ppm1 8.910 ppm2 0.962 ASSI { 1072} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 2.600 0.800 0.800 peak 1072 weight 0.10000E+01 volume 0.25160E+05 ppm1 8.918 ppm2 9.265 ASSI { 1076} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.300 0.700 0.700 peak 1076 weight 0.10000E+01 volume 0.44860E+05 ppm1 9.267 ppm2 1.954 ASSI { 1077} (( segid " " and resid 110 and name HN )) ( segid " " and resid 107 and name HB% ) 2.800 2.800 2.700 peak 1077 weight 0.10000E+01 volume 0.15360E+05 ppm1 9.284 ppm2 1.603 ASSI { 1078} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.000 1.100 1.100 peak 1078 weight 0.10000E+01 volume 0.10780E+05 ppm1 9.267 ppm2 1.385 ASSI { 1079} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD1%) 3.000 1.100 1.100 peak 1079 weight 0.10000E+01 volume 0.96690E+04 ppm1 9.267 ppm2 0.962 ASSI { 1080} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HD2%) 2.500 2.500 3.000 peak 1080 weight 0.10000E+01 volume 0.31630E+05 ppm1 9.270 ppm2 0.863 ASSI { 1082} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HG2%) 2.700 2.700 2.800 peak 1082 weight 0.10000E+01 volume 0.18220E+05 ppm1 7.923 ppm2 1.137 ASSI { 1086} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.700 0.900 0.900 peak 1086 weight 0.10000E+01 volume 0.18660E+05 ppm1 7.919 ppm2 1.954 ASSI { 1094} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB )) 2.400 0.700 0.700 peak 1094 weight 0.10000E+01 volume 0.39220E+05 ppm1 7.067 ppm2 4.357 ASSI { 1095} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.900 1.100 1.100 peak 1095 weight 0.10000E+01 volume 0.11360E+05 ppm1 7.058 ppm2 4.857 ASSI { 1096} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG1 )) 3.300 1.400 1.400 peak 1096 weight 0.10000E+01 volume 0.55430E+04 ppm1 7.070 ppm2 5.599 ASSI { 1097} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 2.500 0.800 0.800 peak 1097 weight 0.10000E+01 volume 0.28270E+05 ppm1 7.058 ppm2 7.935 ASSI { 1098} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 2.400 0.700 0.700 peak 1098 weight 0.10000E+01 volume 0.36860E+05 ppm1 7.058 ppm2 8.241 ASSI { 1101} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HG2%) 2.800 1.000 1.000 peak 1101 weight 0.10000E+01 volume 0.15340E+05 ppm1 7.071 ppm2 1.137 ASSI { 1102} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HD3 )) 3.300 1.400 1.400 peak 1102 weight 0.10000E+01 volume 0.56960E+04 ppm1 7.071 ppm2 1.443 ASSI { 1103} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HD2 )) 3.100 1.200 1.200 peak 1103 weight 0.10000E+01 volume 0.88280E+04 ppm1 7.071 ppm2 1.603 ASSI { 1104} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) 3.300 1.400 1.400 peak 1104 weight 0.10000E+01 volume 0.52620E+04 ppm1 7.071 ppm2 1.735 OR { 1104} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG3 )) ASSI { 1105} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.500 2.500 3.000 peak 1105 weight 0.10000E+01 volume 0.31310E+05 ppm1 8.255 ppm2 4.069 ASSI { 1107} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 2.500 0.800 0.800 peak 1107 weight 0.10000E+01 volume 0.28680E+05 ppm1 8.255 ppm2 8.679 ASSI { 1108} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 2.300 3.200 peak 1108 weight 0.10000E+01 volume 0.48080E+05 ppm1 8.257 ppm2 1.896 OR { 1108} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) ASSI { 1109} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HB% ) 2.100 0.600 0.600 peak 1109 weight 0.10000E+01 volume 0.97820E+05 ppm1 8.251 ppm2 1.620 ASSI { 1110} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.100 3.100 2.400 peak 1110 weight 0.10000E+01 volume 0.82370E+04 ppm1 8.259 ppm2 1.504 ASSI { 1112} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HG2%) 3.100 1.200 1.200 peak 1112 weight 0.10000E+01 volume 0.80550E+04 ppm1 8.257 ppm2 1.114 ASSI { 1113} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HA )) 3.200 1.300 1.300 peak 1113 weight 0.10000E+01 volume 0.62910E+04 ppm1 8.681 ppm2 3.894 ASSI { 1116} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.800 1.000 1.000 peak 1116 weight 0.10000E+01 volume 0.14860E+05 ppm1 8.681 ppm2 4.200 ASSI { 1118} (( segid " " and resid 114 and name HN )) ( segid " " and resid 113 and name HB% ) 2.400 0.700 0.700 peak 1118 weight 0.10000E+01 volume 0.36950E+05 ppm1 8.681 ppm2 1.613 ASSI { 1119} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB3 )) 2.700 0.900 0.900 peak 1119 weight 0.10000E+01 volume 0.18770E+05 ppm1 8.675 ppm2 1.508 ASSI { 1120} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HD1%) 2.700 0.900 0.900 peak 1120 weight 0.10000E+01 volume 0.18360E+05 ppm1 8.681 ppm2 0.932 ASSI { 1121} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 1121 weight 0.10000E+01 volume 0.93850E+04 ppm1 7.486 ppm2 4.375 ASSI { 1122} (( segid " " and resid 115 and name HN )) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 1122 weight 0.10000E+01 volume 0.46920E+04 ppm1 7.479 ppm2 4.864 ASSI { 1123} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HN )) 3.400 1.400 1.400 peak 1123 weight 0.10000E+01 volume 0.49190E+04 ppm1 7.488 ppm2 8.247 ASSI { 1124} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HN )) 2.400 0.700 0.700 peak 1124 weight 0.10000E+01 volume 0.35810E+05 ppm1 7.486 ppm2 8.679 ASSI { 1125} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 2.500 0.800 0.800 peak 1125 weight 0.10000E+01 volume 0.30900E+05 ppm1 7.486 ppm2 7.366 ASSI { 1126} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 1126 weight 0.10000E+01 volume 0.73620E+04 ppm1 7.486 ppm2 4.200 ASSI { 1127} (( segid " " and resid 115 and name HN )) (( segid " " and resid 112 and name HA )) 3.200 1.300 1.300 peak 1127 weight 0.10000E+01 volume 0.70550E+04 ppm1 7.486 ppm2 4.069 ASSI { 1128} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.000 1.100 1.100 peak 1128 weight 0.10000E+01 volume 0.10880E+05 ppm1 7.487 ppm2 2.041 ASSI { 1130} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HG3 )) 3.000 1.100 1.100 peak 1130 weight 0.10000E+01 volume 0.92600E+04 ppm1 7.475 ppm2 1.764 ASSI { 1131} (( segid " " and resid 115 and name HN )) ( segid " " and resid 113 and name HB% ) 3.400 1.400 1.400 peak 1131 weight 0.10000E+01 volume 0.44360E+04 ppm1 7.475 ppm2 1.603 ASSI { 1132} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.400 1.400 1.400 peak 1132 weight 0.10000E+01 volume 0.51180E+04 ppm1 7.482 ppm2 1.510 ASSI { 1133} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HD2 )) 2.600 0.800 0.800 peak 1133 weight 0.10000E+01 volume 0.23750E+05 ppm1 7.475 ppm2 1.341 OR { 1133} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HD3 )) ASSI { 1134} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HD1%) 3.300 1.400 1.400 peak 1134 weight 0.10000E+01 volume 0.57440E+04 ppm1 7.475 ppm2 0.932 ASSI { 1135} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HG2%) 2.800 1.000 1.000 peak 1135 weight 0.10000E+01 volume 0.14480E+05 ppm1 7.361 ppm2 0.072 ASSI { 1136} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HN )) 3.200 1.300 1.300 peak 1136 weight 0.10000E+01 volume 0.66360E+04 ppm1 7.368 ppm2 7.949 ASSI { 1137} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HN )) 3.300 1.400 1.400 peak 1137 weight 0.10000E+01 volume 0.57440E+04 ppm1 7.368 ppm2 8.679 ASSI { 1138} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.300 0.700 0.700 peak 1138 weight 0.10000E+01 volume 0.55150E+05 ppm1 7.368 ppm2 3.879 ASSI { 1139} (( segid " " and resid 116 and name HN )) (( segid " " and resid 111 and name HA )) 2.400 0.700 0.700 peak 1139 weight 0.10000E+01 volume 0.37130E+05 ppm1 7.368 ppm2 4.871 ASSI { 1140} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 4.100 2.100 1.400 peak 1140 weight 0.10000E+01 volume 0.15480E+04 ppm1 7.361 ppm2 2.056 ASSI { 1141} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB3 )) 3.400 1.400 1.400 peak 1141 weight 0.10000E+01 volume 0.46120E+04 ppm1 7.361 ppm2 1.895 ASSI { 1142} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HG3 )) 3.200 1.300 1.300 peak 1142 weight 0.10000E+01 volume 0.67730E+04 ppm1 7.361 ppm2 1.764 OR { 1142} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HG2 )) ASSI { 1143} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HB3 )) 3.600 1.600 1.600 peak 1143 weight 0.10000E+01 volume 0.34340E+04 ppm1 7.361 ppm2 1.516 ASSI { 1144} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HD2 )) 3.600 1.600 1.600 peak 1144 weight 0.10000E+01 volume 0.35390E+04 ppm1 7.361 ppm2 1.355 OR { 1144} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HD3 )) ASSI { 1145} (( segid " " and resid 116 and name HN )) ( segid " " and resid 111 and name HG2%) 3.000 1.100 1.100 peak 1145 weight 0.10000E+01 volume 0.94190E+04 ppm1 7.361 ppm2 1.137 ASSI { 1146} (( segid " " and resid 116 and name HN )) ( segid " " and resid 114 and name HD2%) 3.900 1.900 1.600 peak 1146 weight 0.10000E+01 volume 0.19740E+04 ppm1 7.361 ppm2 0.932 OR { 1146} (( segid " " and resid 116 and name HN )) ( segid " " and resid 114 and name HD1%) ASSI { 1149} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG2 )) 3.200 1.300 1.300 peak 1149 weight 0.10000E+01 volume 0.71460E+04 ppm1 7.948 ppm2 1.341 OR { 1149} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG3 )) ASSI { 1150} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HD2 )) 3.300 1.400 1.400 peak 1150 weight 0.10000E+01 volume 0.53260E+04 ppm1 7.948 ppm2 1.151 OR { 1150} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HD3 )) ASSI { 1151} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HG2%) 2.900 1.100 1.100 peak 1151 weight 0.10000E+01 volume 0.11140E+05 ppm1 7.948 ppm2 0.072 ASSI { 1152} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB )) 3.400 1.400 1.400 peak 1152 weight 0.10000E+01 volume 0.44530E+04 ppm1 7.948 ppm2 3.164 ASSI { 1153} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.200 0.600 0.600 peak 1153 weight 0.10000E+01 volume 0.71630E+05 ppm1 7.948 ppm2 4.186 ASSI { 1157} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.100 0.600 0.600 peak 1157 weight 0.10000E+01 volume 0.97050E+05 ppm1 8.081 ppm2 4.102 ASSI { 1158} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HB )) 3.300 1.400 1.400 peak 1158 weight 0.10000E+01 volume 0.57280E+04 ppm1 8.073 ppm2 4.375 ASSI { 1164} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HD1%) 3.100 1.200 1.200 peak 1164 weight 0.10000E+01 volume 0.84870E+04 ppm1 8.084 ppm2 0.813 ASSI { 1165} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB3 )) 2.800 2.800 2.700 peak 1165 weight 0.10000E+01 volume 0.14450E+05 ppm1 8.084 ppm2 1.642 ASSI { 1166} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HG1 )) 2.700 0.900 0.900 peak 1166 weight 0.10000E+01 volume 0.20730E+05 ppm1 8.073 ppm2 5.601 ASSI { 1167} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 2.900 1.100 1.100 peak 1167 weight 0.10000E+01 volume 0.12000E+05 ppm1 8.088 ppm2 7.938 ASSI { 1169} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.600 2.600 2.900 peak 1169 weight 0.10000E+01 volume 0.23040E+05 ppm1 8.290 ppm2 2.727 ASSI { 1170} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB3 )) 2.600 0.800 0.800 peak 1170 weight 0.10000E+01 volume 0.22300E+05 ppm1 8.294 ppm2 2.432 ASSI { 1171} (( segid " " and resid 119 and name HN )) ( segid " " and resid 107 and name HB% ) 3.300 1.400 1.400 peak 1171 weight 0.10000E+01 volume 0.60090E+04 ppm1 8.288 ppm2 1.628 ASSI { 1172} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.900 1.100 1.100 peak 1172 weight 0.10000E+01 volume 0.13540E+05 ppm1 8.300 ppm2 1.510 ASSI { 1173} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 1173 weight 0.10000E+01 volume 0.14220E+05 ppm1 8.290 ppm2 1.210 ASSI { 1174} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HD1%) 2.800 2.800 2.700 peak 1174 weight 0.10000E+01 volume 0.14930E+05 ppm1 8.290 ppm2 0.845 OR { 1174} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HD2%) ASSI { 1175} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HD2%) 3.400 1.400 1.400 peak 1175 weight 0.10000E+01 volume 0.43800E+04 ppm1 8.290 ppm2 0.407 ASSI { 1177} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.300 0.700 0.700 peak 1177 weight 0.10000E+01 volume 0.43900E+05 ppm1 8.123 ppm2 4.594 ASSI { 1180} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.500 1.500 1.500 peak 1180 weight 0.10000E+01 volume 0.41350E+04 ppm1 8.129 ppm2 2.722 ASSI { 1181} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB3 )) 3.400 1.400 1.400 peak 1181 weight 0.10000E+01 volume 0.43450E+04 ppm1 8.111 ppm2 2.431 ASSI { 1182} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HG )) 2.700 2.700 2.800 peak 1182 weight 0.10000E+01 volume 0.18680E+05 ppm1 8.115 ppm2 1.589 ASSI { 1183} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.000 1.100 1.100 peak 1183 weight 0.10000E+01 volume 0.98840E+04 ppm1 8.115 ppm2 1.210 ASSI { 1184} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD1%) 2.900 1.100 1.100 peak 1184 weight 0.10000E+01 volume 0.13000E+05 ppm1 8.115 ppm2 0.393 ASSI { 1185} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD2%) 3.300 1.400 1.400 peak 1185 weight 0.10000E+01 volume 0.54790E+04 ppm1 8.115 ppm2 0.174 ASSI { 1187} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1187 weight 0.10000E+01 volume 0.14090E+05 ppm1 8.350 ppm2 4.186 ASSI { 1190} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HG )) 3.500 3.500 2.000 peak 1190 weight 0.10000E+01 volume 0.38800E+04 ppm1 8.350 ppm2 1.589 ASSI { 1191} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.300 1.400 1.400 peak 1191 weight 0.10000E+01 volume 0.52540E+04 ppm1 8.350 ppm2 1.180 ASSI { 1194} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) 2.600 0.800 0.800 peak 1194 weight 0.10000E+01 volume 0.24040E+05 ppm1 8.350 ppm2 8.125 ASSI { 1195} (( segid " " and resid 89 and name HN )) ( segid " " and resid 89 and name HG2%) 2.500 0.800 0.800 peak 1195 weight 0.10000E+01 volume 0.28630E+05 ppm1 8.299 ppm2 1.188 ASSI { 1198} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 1198 weight 0.10000E+01 volume 0.19290E+05 ppm1 7.030 ppm2 2.006 ASSI { 1200} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HD1%) 2.800 1.000 1.000 peak 1200 weight 0.10000E+01 volume 0.15090E+05 ppm1 7.024 ppm2 0.751 ASSI { 1201} (( segid " " and resid 123 and name HN )) ( segid " " and resid 123 and name HD2%) 2.700 2.700 2.800 peak 1201 weight 0.10000E+01 volume 0.20150E+05 ppm1 7.030 ppm2 0.560 ASSI { 1203} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HA )) 3.200 1.300 1.300 peak 1203 weight 0.10000E+01 volume 0.71690E+04 ppm1 7.019 ppm2 4.201 ASSI { 1204} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 3.000 1.100 1.100 peak 1204 weight 0.10000E+01 volume 0.10720E+05 ppm1 7.031 ppm2 4.310 ASSI { 1205} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.100 1.200 1.200 peak 1205 weight 0.10000E+01 volume 0.82370E+04 ppm1 7.030 ppm2 3.869 ASSI { 1206} (( segid " " and resid 123 and name HN )) (( segid " " and resid 126 and name HB3 )) 3.300 1.400 1.400 peak 1206 weight 0.10000E+01 volume 0.55510E+04 ppm1 7.019 ppm2 3.267 ASSI { 1207} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 2.400 0.700 0.700 peak 1207 weight 0.10000E+01 volume 0.36040E+05 ppm1 7.972 ppm2 8.897 ASSI { 1209} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HB% ) 2.400 0.700 0.700 peak 1209 weight 0.10000E+01 volume 0.36990E+05 ppm1 7.981 ppm2 1.248 ASSI { 1212} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 3.100 1.200 1.200 peak 1212 weight 0.10000E+01 volume 0.83510E+04 ppm1 7.969 ppm2 3.704 ASSI { 1213} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.800 1.000 1.000 peak 1213 weight 0.10000E+01 volume 0.14880E+05 ppm1 7.981 ppm2 2.011 ASSI { 1217} (( segid " " and resid 124 and name HN )) ( segid " " and resid 123 and name HD1%) 3.200 1.300 1.300 peak 1217 weight 0.10000E+01 volume 0.67730E+04 ppm1 7.981 ppm2 0.757 ASSI { 1218} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HB% ) 2.600 0.800 0.800 peak 1218 weight 0.10000E+01 volume 0.22430E+05 ppm1 8.436 ppm2 1.246 ASSI { 1219} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 2.700 0.900 0.900 peak 1219 weight 0.10000E+01 volume 0.18110E+05 ppm1 8.440 ppm2 7.490 ASSI { 1220} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.000 0.500 0.500 peak 1220 weight 0.10000E+01 volume 0.10120E+06 ppm1 8.432 ppm2 3.818 ASSI { 1221} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HD% ) 2.800 1.000 1.000 peak 1221 weight 0.10000E+01 volume 0.13900E+05 ppm1 8.436 ppm2 7.204 ASSI { 1224} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 2.700 0.900 0.900 peak 1224 weight 0.10000E+01 volume 0.19380E+05 ppm1 7.494 ppm2 8.864 ASSI { 1225} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.700 0.900 0.900 peak 1225 weight 0.10000E+01 volume 0.19340E+05 ppm1 7.506 ppm2 4.136 ASSI { 1226} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HA )) 3.000 1.100 1.100 peak 1226 weight 0.10000E+01 volume 0.10620E+05 ppm1 7.506 ppm2 3.817 ASSI { 1227} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB2 )) 2.700 2.700 2.800 peak 1227 weight 0.10000E+01 volume 0.19540E+05 ppm1 7.506 ppm2 3.492 ASSI { 1228} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB3 )) 2.500 0.800 0.800 peak 1228 weight 0.10000E+01 volume 0.27120E+05 ppm1 7.494 ppm2 3.264 ASSI { 1229} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 3.200 3.200 2.300 peak 1229 weight 0.10000E+01 volume 0.64670E+04 ppm1 7.028 ppm2 7.976 ASSI { 1230} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 3.300 1.400 1.400 peak 1230 weight 0.10000E+01 volume 0.59050E+04 ppm1 8.866 ppm2 3.362 ASSI { 1234} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA2 )) 2.900 1.100 1.100 peak 1234 weight 0.10000E+01 volume 0.11470E+05 ppm1 7.970 ppm2 3.489 ASSI { 1235} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA1 )) 2.500 0.800 0.800 peak 1235 weight 0.10000E+01 volume 0.30770E+05 ppm1 7.971 ppm2 4.097 ASSI { 1236} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1236 weight 0.10000E+01 volume 0.58720E+05 ppm1 7.973 ppm2 4.212 ASSI { 1237} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG3 )) 2.600 0.800 0.800 peak 1237 weight 0.10000E+01 volume 0.23040E+05 ppm1 7.976 ppm2 1.274 OR { 1237} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG2 )) ASSI { 1239} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 2.400 0.700 0.700 peak 1239 weight 0.10000E+01 volume 0.35270E+05 ppm1 7.973 ppm2 8.879 ASSI { 1242} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 3.000 1.100 1.100 peak 1242 weight 0.10000E+01 volume 0.92140E+04 ppm1 8.569 ppm2 7.967 ASSI { 1243} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 3.100 1.200 1.200 peak 1243 weight 0.10000E+01 volume 0.80210E+04 ppm1 8.567 ppm2 7.726 ASSI { 1244} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.500 0.800 0.800 peak 1244 weight 0.10000E+01 volume 0.28270E+05 ppm1 8.567 ppm2 4.223 ASSI { 1245} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HA )) 3.200 3.200 2.300 peak 1245 weight 0.10000E+01 volume 0.67570E+04 ppm1 8.567 ppm2 3.371 ASSI { 1246} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 3.100 1.200 1.200 peak 1246 weight 0.10000E+01 volume 0.83850E+04 ppm1 8.567 ppm2 2.703 ASSI { 1247} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB3 )) 2.700 0.900 0.900 peak 1247 weight 0.10000E+01 volume 0.17060E+05 ppm1 8.567 ppm2 2.495 ASSI { 1248} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG2 )) 3.100 3.100 2.400 peak 1248 weight 0.10000E+01 volume 0.88730E+04 ppm1 8.567 ppm2 1.274 OR { 1248} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG3 )) ASSI { 1249} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB3 )) 3.300 1.400 1.400 peak 1249 weight 0.10000E+01 volume 0.52060E+04 ppm1 8.567 ppm2 1.631 ASSI { 1250} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.000 3.000 2.500 peak 1250 weight 0.10000E+01 volume 0.92250E+04 ppm1 8.567 ppm2 1.769 ASSI { 1255} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 2.700 0.900 0.900 peak 1255 weight 0.10000E+01 volume 0.18610E+05 ppm1 7.725 ppm2 4.489 ASSI { 1258} (( segid " " and resid 113 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.400 3.400 2.100 peak 1258 weight 0.10000E+01 volume 0.46470E+04 ppm1 8.255 ppm2 1.406 ASSI { 1259} (( segid " " and resid 113 and name HN )) ( segid " " and resid 110 and name HD2%) 3.300 1.400 1.400 peak 1259 weight 0.10000E+01 volume 0.58010E+04 ppm1 8.255 ppm2 0.895 ASSI { 1267} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 3.400 1.400 1.400 peak 1267 weight 0.10000E+01 volume 0.45730E+04 ppm1 9.267 ppm2 4.094 ASSI { 1268} (( segid " " and resid 114 and name HN )) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 1268 weight 0.10000E+01 volume 0.50690E+04 ppm1 8.681 ppm2 4.866 ASSI { 1273} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 1273 weight 0.10000E+01 volume 0.40110E+05 ppm1 7.634 ppm2 4.144 ASSI { 1274} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.700 0.900 0.900 peak 1274 weight 0.10000E+01 volume 0.18660E+05 ppm1 8.779 ppm2 3.250 ASSI { 1275} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HG2%) 2.700 0.900 0.900 peak 1275 weight 0.10000E+01 volume 0.17860E+05 ppm1 9.607 ppm2 0.796 ASSI { 1277} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HD2%) 3.100 1.200 1.200 peak 1277 weight 0.10000E+01 volume 0.84870E+04 ppm1 7.624 ppm2 0.175 ASSI { 1280} (( segid " " and resid 107 and name HN )) ( segid " " and resid 120 and name HD2%) 3.300 1.400 1.400 peak 1280 weight 0.10000E+01 volume 0.56560E+04 ppm1 7.975 ppm2 0.177 ASSI { 1285} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 1285 weight 0.10000E+01 volume 0.35540E+05 ppm1 8.681 ppm2 1.795 ASSI { 1286} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.000 3.000 2.500 peak 1286 weight 0.10000E+01 volume 0.94070E+04 ppm1 8.089 ppm2 1.726 ASSI { 1287} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.300 0.700 0.700 peak 1287 weight 0.10000E+01 volume 0.55470E+05 ppm1 7.952 ppm2 1.726 ASSI { 1288} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB3 )) 2.400 0.700 0.700 peak 1288 weight 0.10000E+01 volume 0.39180E+05 ppm1 7.946 ppm2 1.644 ASSI { 1289} (( segid " " and resid 118 and name HN )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 1289 weight 0.10000E+01 volume 0.10330E+05 ppm1 8.073 ppm2 4.856 ASSI { 1291} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HA )) 3.200 1.300 1.300 peak 1291 weight 0.10000E+01 volume 0.65560E+04 ppm1 8.352 ppm2 4.590 ASSI { 1292} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 2.700 0.900 0.900 peak 1292 weight 0.10000E+01 volume 0.17360E+05 ppm1 8.288 ppm2 8.344 ASSI { 1294} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.800 1.000 1.000 peak 1294 weight 0.10000E+01 volume 0.15130E+05 ppm1 8.280 ppm2 3.799 OR { 1294} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB3 )) ASSI { 1296} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HB3 )) 2.800 1.000 1.000 peak 1296 weight 0.10000E+01 volume 0.13640E+05 ppm1 7.981 ppm2 1.560 ASSI { 1297} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.400 0.700 0.700 peak 1297 weight 0.10000E+01 volume 0.39540E+05 ppm1 7.976 ppm2 4.051 ASSI { 1298} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 1298 weight 0.10000E+01 volume 0.83730E+04 ppm1 8.239 ppm2 4.631 ASSI { 1299} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.400 1.400 1.400 peak 1299 weight 0.10000E+01 volume 0.47540E+04 ppm1 7.945 ppm2 4.685 ASSI { 1300} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HN )) 2.600 0.800 0.800 peak 1300 weight 0.10000E+01 volume 0.22200E+05 ppm1 7.835 ppm2 7.934 ASSI { 1301} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.100 1.200 1.200 peak 1301 weight 0.10000E+01 volume 0.88280E+04 ppm1 7.940 ppm2 3.727 ASSI { 1302} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.700 0.900 0.900 peak 1302 weight 0.10000E+01 volume 0.18660E+05 ppm1 7.848 ppm2 3.726 ASSI { 1304} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HG2%) 3.200 1.300 1.300 peak 1304 weight 0.10000E+01 volume 0.72480E+04 ppm1 8.164 ppm2 1.115 ASSI { 1305} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB )) 2.800 1.000 1.000 peak 1305 weight 0.10000E+01 volume 0.15130E+05 ppm1 8.158 ppm2 4.131 ASSI { 1306} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 1306 weight 0.10000E+01 volume 0.18340E+05 ppm1 8.840 ppm2 8.901 ASSI { 1308} (( segid " " and resid 87 and name HN )) ( segid " " and resid 86 and name HD% ) 3.400 1.400 1.400 peak 1308 weight 0.10000E+01 volume 0.45730E+04 ppm1 8.918 ppm2 6.973 ASSI { 1311} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 1311 weight 0.10000E+01 volume 0.15840E+05 ppm1 8.522 ppm2 2.292 ASSI { 1313} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HD2 )) 3.000 3.000 2.500 peak 1313 weight 0.10000E+01 volume 0.10750E+05 ppm1 9.094 ppm2 0.982 OR { 1313} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HD3 )) ASSI { 1316} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 1316 weight 0.10000E+01 volume 0.87140E+04 ppm1 6.886 ppm2 4.352 ASSI { 1317} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 2.300 0.700 0.700 peak 1317 weight 0.10000E+01 volume 0.44030E+05 ppm1 6.886 ppm2 5.871 ASSI { 1318} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 2.600 0.800 0.800 peak 1318 weight 0.10000E+01 volume 0.22110E+05 ppm1 6.886 ppm2 4.573 ASSI { 1319} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.900 1.100 1.100 peak 1319 weight 0.10000E+01 volume 0.12280E+05 ppm1 6.886 ppm2 4.420 ASSI { 1320} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 2.700 0.900 0.900 peak 1320 weight 0.10000E+01 volume 0.19130E+05 ppm1 6.886 ppm2 3.747 ASSI { 1322} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.100 1.200 1.200 peak 1322 weight 0.10000E+01 volume 0.76230E+04 ppm1 6.886 ppm2 1.190 ASSI { 1323} (( segid " " and resid 39 and name HN )) ( segid " " and resid 114 and name HD2%) 3.300 1.400 1.400 peak 1323 weight 0.10000E+01 volume 0.56160E+04 ppm1 6.886 ppm2 0.931 ASSI { 1324} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 2.300 0.700 0.700 peak 1324 weight 0.10000E+01 volume 0.44160E+05 ppm1 6.884 ppm2 0.528 ASSI { 1327} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.100 1.200 1.200 peak 1327 weight 0.10000E+01 volume 0.81690E+04 ppm1 7.799 ppm2 1.531 ASSI { 1329} (( segid " " and resid 66 and name HN )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 1329 weight 0.10000E+01 volume 0.87940E+04 ppm1 9.620 ppm2 5.359 ASSI { 1330} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HD3 )) 3.100 1.200 1.200 peak 1330 weight 0.10000E+01 volume 0.74760E+04 ppm1 8.085 ppm2 1.336 OR { 1330} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HD2 )) ASSI { 1333} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.000 3.000 2.500 peak 1333 weight 0.10000E+01 volume 0.11010E+05 ppm1 7.573 ppm2 1.349 ASSI { 1334} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HG3 )) 2.800 1.000 1.000 peak 1334 weight 0.10000E+01 volume 0.14950E+05 ppm1 7.573 ppm2 1.202 ASSI { 1335} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB )) 2.900 1.100 1.100 peak 1335 weight 0.10000E+01 volume 0.12230E+05 ppm1 8.528 ppm2 1.161 ASSI { 1338} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG1 )) 2.400 0.700 0.700 peak 1338 weight 0.10000E+01 volume 0.34450E+05 ppm1 7.922 ppm2 5.602 ASSI { 1339} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB )) 2.400 0.700 0.700 peak 1339 weight 0.10000E+01 volume 0.42230E+05 ppm1 7.919 ppm2 4.377 ASSI { 1348} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 74 and name HD1%) 3.300 1.400 1.400 peak 1348 weight 0.10000E+01 volume 0.54070E+04 ppm1 9.907 ppm2 -0.447 ASSI { 1350} (( segid " " and resid 93 and name HE1 )) ( segid " " and resid 125 and name HD% ) 3.500 1.500 1.500 peak 1350 weight 0.10000E+01 volume 0.42200E+04 ppm1 9.889 ppm2 7.231 ASSI { 1352} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HN )) 2.800 2.800 2.700 peak 1352 weight 0.10000E+01 volume 0.16450E+05 ppm1 8.787 ppm2 8.896 ASSI { 1353} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 92 and name HB3 )) 2.800 1.000 1.000 peak 1353 weight 0.10000E+01 volume 0.16200E+05 ppm1 6.943 ppm2 2.798 ASSI { 1356} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 91 and name HB3 )) 3.300 1.400 1.400 peak 1356 weight 0.10000E+01 volume 0.51740E+04 ppm1 6.956 ppm2 1.423 OR { 1356} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 91 and name HB2 )) ASSI { 1357} (( segid " " and resid 92 and name HD21)) (( segid " " and resid 92 and name HB3 )) 2.600 0.800 0.800 peak 1357 weight 0.10000E+01 volume 0.22010E+05 ppm1 8.857 ppm2 2.798 ASSI { 1360} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 92 and name HD21)) 2.200 0.600 0.600 peak 1360 weight 0.10000E+01 volume 0.67540E+05 ppm1 6.943 ppm2 8.842 ASSI { 1361} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HD22)) 2.100 0.600 0.600 peak 1361 weight 0.10000E+01 volume 0.89600E+05 ppm1 7.673 ppm2 7.068 ASSI { 1362} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB2 )) 3.000 1.100 1.100 peak 1362 weight 0.10000E+01 volume 0.91910E+04 ppm1 7.678 ppm2 3.054 ASSI { 1363} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB3 )) 3.400 1.400 1.400 peak 1363 weight 0.10000E+01 volume 0.50450E+04 ppm1 7.673 ppm2 2.275 ASSI { 1365} (( segid " " and resid 66 and name HD21)) (( segid " " and resid 66 and name HD22)) 2.000 0.500 0.500 peak 1365 weight 0.10000E+01 volume 0.12420E+06 ppm1 6.792 ppm2 6.160 ASSI { 1366} (( segid " " and resid 66 and name HD21)) (( segid " " and resid 66 and name HB2 )) 2.800 1.000 1.000 peak 1366 weight 0.10000E+01 volume 0.15000E+05 ppm1 6.792 ppm2 2.891 ASSI { 1367} (( segid " " and resid 66 and name HD21)) (( segid " " and resid 66 and name HB3 )) 3.200 1.300 1.300 peak 1367 weight 0.10000E+01 volume 0.65080E+04 ppm1 6.796 ppm2 2.519 ASSI { 1368} (( segid " " and resid 66 and name HD21)) ( segid " " and resid 64 and name HG1%) 3.000 1.100 1.100 peak 1368 weight 0.10000E+01 volume 0.92480E+04 ppm1 6.792 ppm2 0.867 OR { 1368} (( segid " " and resid 66 and name HD21)) ( segid " " and resid 64 and name HG2%) ASSI { 1369} (( segid " " and resid 66 and name HD22)) (( segid " " and resid 66 and name HB2 )) 3.100 1.200 1.200 peak 1369 weight 0.10000E+01 volume 0.75550E+04 ppm1 6.169 ppm2 2.903 ASSI { 1370} (( segid " " and resid 66 and name HD22)) (( segid " " and resid 66 and name HB3 )) 3.400 1.400 1.400 peak 1370 weight 0.10000E+01 volume 0.47370E+04 ppm1 6.174 ppm2 2.542 ASSI { 1372} (( segid " " and resid 66 and name HD22)) ( segid " " and resid 64 and name HG1%) 3.300 1.400 1.400 peak 1372 weight 0.10000E+01 volume 0.54550E+04 ppm1 6.174 ppm2 0.867 OR { 1372} (( segid " " and resid 66 and name HD22)) ( segid " " and resid 64 and name HG2%) ASSI { 1373} (( segid " " and resid 66 and name HD22)) (( segid " " and resid 68 and name HB3 )) 3.500 1.500 1.500 peak 1373 weight 0.10000E+01 volume 0.36810E+04 ppm1 6.165 ppm2 0.576 ASSI { 1377} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 70 and name HD3 )) 3.200 3.200 2.300 peak 1377 weight 0.10000E+01 volume 0.71120E+04 ppm1 7.144 ppm2 3.357 ASSI { 1378} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 73 and name HG2 )) 3.000 1.100 1.100 peak 1378 weight 0.10000E+01 volume 0.91800E+04 ppm1 7.144 ppm2 2.810 OR { 1378} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 73 and name HG3 )) ASSI { 1381} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HG2 )) 3.000 1.100 1.100 peak 1381 weight 0.10000E+01 volume 0.97250E+04 ppm1 6.832 ppm2 2.798 OR { 1381} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HG3 )) ASSI { 1385} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HE21)) 2.200 0.600 0.600 peak 1385 weight 0.10000E+01 volume 0.66170E+05 ppm1 6.826 ppm2 7.127 ASSI { 1388} (( segid " " and resid 68 and name HE21)) (( segid " " and resid 68 and name HG2 )) 3.100 1.200 1.200 peak 1388 weight 0.10000E+01 volume 0.76350E+04 ppm1 6.262 ppm2 1.269 OR { 1388} (( segid " " and resid 68 and name HE22)) (( segid " " and resid 68 and name HG2 )) ASSI { 1389} (( segid " " and resid 68 and name HE21)) (( segid " " and resid 68 and name HG3 )) 3.000 1.100 1.100 peak 1389 weight 0.10000E+01 volume 0.94410E+04 ppm1 6.260 ppm2 0.917 OR { 1389} (( segid " " and resid 68 and name HE22)) (( segid " " and resid 68 and name HG3 )) ASSI { 1390} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 93 and name HD1 )) 2.600 0.800 0.800 peak 1390 weight 0.10000E+01 volume 0.23840E+05 ppm1 9.899 ppm2 7.619 ASSI { 1394} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 1394 weight 0.10000E+01 volume 0.79980E+04 ppm1 6.381 ppm2 1.373 ASSI { 1395} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 1395 weight 0.10000E+01 volume 0.72600E+04 ppm1 8.573 ppm2 2.287 ASSI { 1398} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.300 1.400 1.400 peak 1398 weight 0.10000E+01 volume 0.51580E+04 ppm1 8.201 ppm2 3.086 ASSI { 1401} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 1401 weight 0.10000E+01 volume 0.66520E+04 ppm1 7.056 ppm2 3.056 ASSI { 1402} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB3 )) 3.300 1.400 1.400 peak 1402 weight 0.10000E+01 volume 0.60820E+04 ppm1 7.085 ppm2 2.285 ASSI { 1403} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.500 0.800 0.800 peak 1403 weight 0.10000E+01 volume 0.29090E+05 ppm1 7.922 ppm2 4.866 ASSI { 1404} (( segid " " and resid 73 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.500 1.500 1.500 peak 1404 weight 0.10000E+01 volume 0.37720E+04 ppm1 7.136 ppm2 1.545 ASSI { 1407} (( segid " " and resid 76 and name HN )) ( segid " " and resid 65 and name HG2%) 3.600 1.600 1.600 peak 1407 weight 0.10000E+01 volume 0.31450E+04 ppm1 8.714 ppm2 0.698 OR { 1407} (( segid " " and resid 76 and name HN )) ( segid " " and resid 65 and name HD1%) ASSI { 1408} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 22 and name HB )) 3.400 1.400 1.400 peak 1408 weight 0.10000E+01 volume 0.43970E+04 ppm1 9.912 ppm2 4.271 ASSI { 1409} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB2 )) 2.900 1.100 1.100 peak 1409 weight 0.10000E+01 volume 0.11380E+05 ppm1 9.303 ppm2 2.905 ASSI { 1410} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) 3.000 1.100 1.100 peak 1410 weight 0.10000E+01 volume 0.98050E+04 ppm1 8.306 ppm2 8.085 ASSI { 7} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HB3 )) 2.100 0.600 0.600 peak 7 weight 0.10000E+01 volume 0.10800E+05 ppm1 3.695 ppm2 3.259 ASSI { 8} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 8 weight 0.10000E+01 volume 0.22320E+04 ppm1 3.695 ppm2 7.412 ASSI { 10} (( segid " " and resid 40 and name HB3 )) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 10 weight 0.10000E+01 volume 0.24390E+04 ppm1 3.249 ppm2 7.419 ASSI { 16} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HD2 )) 2.700 0.900 0.900 peak 16 weight 0.10000E+01 volume 0.23630E+04 ppm1 2.870 ppm2 6.987 OR { 16} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HD2 )) ASSI { 18} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 15 and name HD% ) 2.500 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.36860E+04 ppm1 3.040 ppm2 7.155 ASSI { 23} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HD% ) 2.400 0.700 0.700 peak 23 weight 0.10000E+01 volume 0.49420E+04 ppm1 4.167 ppm2 6.498 ASSI { 27} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.700 0.900 0.900 peak 27 weight 0.10000E+01 volume 0.22090E+04 ppm1 4.171 ppm2 2.717 ASSI { 28} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HB3 )) 2.600 0.800 0.800 peak 28 weight 0.10000E+01 volume 0.29720E+04 ppm1 4.170 ppm2 2.582 ASSI { 30} (( segid " " and resid 89 and name HA )) ( segid " " and resid 89 and name HG2%) 2.000 0.500 0.500 peak 30 weight 0.10000E+01 volume 0.15040E+05 ppm1 4.190 ppm2 1.192 ASSI { 44} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HA )) 2.200 0.600 0.600 peak 44 weight 0.10000E+01 volume 0.75670E+04 ppm1 3.449 ppm2 4.575 ASSI { 45} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 38 and name HD% ) 2.400 0.700 0.700 peak 45 weight 0.10000E+01 volume 0.51180E+04 ppm1 3.449 ppm2 6.902 ASSI { 46} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 38 and name HD% ) 2.300 0.700 0.700 peak 46 weight 0.10000E+01 volume 0.58970E+04 ppm1 2.805 ppm2 6.902 ASSI { 50} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HB3 )) 2.000 0.500 0.500 peak 50 weight 0.10000E+01 volume 0.13100E+05 ppm1 3.446 ppm2 2.808 ASSI { 52} (( segid " " and resid 43 and name HB3 )) ( segid " " and resid 43 and name HD% ) 2.600 0.800 0.800 peak 52 weight 0.10000E+01 volume 0.31200E+04 ppm1 2.927 ppm2 7.186 ASSI { 66} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD% ) 2.700 0.900 0.900 peak 66 weight 0.10000E+01 volume 0.22520E+04 ppm1 3.431 ppm2 6.986 ASSI { 67} (( segid " " and resid 86 and name HB3 )) ( segid " " and resid 86 and name HD% ) 2.700 0.900 0.900 peak 67 weight 0.10000E+01 volume 0.26830E+04 ppm1 3.127 ppm2 6.990 ASSI { 68} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HB2 )) 2.500 0.800 0.800 peak 68 weight 0.10000E+01 volume 0.40160E+04 ppm1 3.109 ppm2 3.419 ASSI { 69} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD% ) 2.500 0.800 0.800 peak 69 weight 0.10000E+01 volume 0.42770E+04 ppm1 4.684 ppm2 6.985 ASSI { 71} (( segid " " and resid 86 and name HA )) (( segid " " and resid 95 and name HA )) 2.500 0.800 0.800 peak 71 weight 0.10000E+01 volume 0.37890E+04 ppm1 4.681 ppm2 5.208 ASSI { 72} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB2 )) 2.700 0.900 0.900 peak 72 weight 0.10000E+01 volume 0.22150E+04 ppm1 4.681 ppm2 3.403 ASSI { 73} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB3 )) 2.600 0.800 0.800 peak 73 weight 0.10000E+01 volume 0.29960E+04 ppm1 4.681 ppm2 3.119 ASSI { 82} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HA )) 2.300 0.700 0.700 peak 82 weight 0.10000E+01 volume 0.72260E+04 ppm1 2.395 ppm2 4.084 ASSI { 89} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB3 )) 2.300 0.700 0.700 peak 89 weight 0.10000E+01 volume 0.56720E+04 ppm1 4.066 ppm2 2.123 ASSI { 92} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 125 and name HD% ) 2.400 0.700 0.700 peak 92 weight 0.10000E+01 volume 0.45950E+04 ppm1 3.574 ppm2 7.231 OR { 92} (( segid " " and resid 125 and name HB3 )) ( segid " " and resid 125 and name HD% ) ASSI { 93} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB3 )) 2.300 0.700 0.700 peak 93 weight 0.10000E+01 volume 0.71580E+04 ppm1 4.146 ppm2 3.580 OR { 93} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB2 )) ASSI { 94} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HE% ) 2.600 2.600 2.900 peak 94 weight 0.10000E+01 volume 0.33010E+04 ppm1 4.161 ppm2 6.970 ASSI { 95} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HD% ) 2.100 0.600 0.600 peak 95 weight 0.10000E+01 volume 0.96340E+04 ppm1 4.146 ppm2 7.228 ASSI { 96} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HE3 )) 2.800 1.000 1.000 peak 96 weight 0.10000E+01 volume 0.18400E+04 ppm1 3.388 ppm2 7.581 OR { 96} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HE3 )) ASSI { 97} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.700 0.900 0.900 peak 97 weight 0.10000E+01 volume 0.22920E+04 ppm1 3.388 ppm2 5.697 OR { 97} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HA )) ASSI { 101} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HE3 )) 2.900 1.100 1.100 peak 101 weight 0.10000E+01 volume 0.16660E+04 ppm1 3.226 ppm2 7.622 ASSI { 104} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HD1 )) 2.600 0.800 0.800 peak 104 weight 0.10000E+01 volume 0.34340E+04 ppm1 5.688 ppm2 6.837 ASSI { 110} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 2.500 0.800 0.800 peak 110 weight 0.10000E+01 volume 0.36010E+04 ppm1 4.713 ppm2 2.985 ASSI { 111} (( segid " " and resid 88 and name HA )) (( segid " " and resid 93 and name HA )) 2.500 0.800 0.800 peak 111 weight 0.10000E+01 volume 0.39530E+04 ppm1 4.733 ppm2 5.774 ASSI { 112} (( segid " " and resid 47 and name HA )) (( segid " " and resid 52 and name HA )) 2.400 0.700 0.700 peak 112 weight 0.10000E+01 volume 0.50050E+04 ppm1 5.953 ppm2 5.340 ASSI { 114} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 114 weight 0.10000E+01 volume 0.36750E+04 ppm1 5.946 ppm2 3.053 ASSI { 115} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB3 )) 2.500 0.800 0.800 peak 115 weight 0.10000E+01 volume 0.43450E+04 ppm1 5.946 ppm2 2.934 ASSI { 118} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 47 and name HD% ) 2.700 2.700 2.800 peak 118 weight 0.10000E+01 volume 0.25100E+04 ppm1 1.995 ppm2 7.257 ASSI { 126} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 2.100 0.600 0.600 peak 126 weight 0.10000E+01 volume 0.10200E+05 ppm1 5.342 ppm2 0.717 ASSI { 127} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB3 )) 2.500 0.800 0.800 peak 127 weight 0.10000E+01 volume 0.34860E+04 ppm1 5.335 ppm2 1.235 ASSI { 128} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 128 weight 0.10000E+01 volume 0.24110E+04 ppm1 5.341 ppm2 2.121 ASSI { 129} (( segid " " and resid 52 and name HA )) ( segid " " and resid 51 and name HG1%) 2.700 2.700 2.800 peak 129 weight 0.10000E+01 volume 0.25900E+04 ppm1 5.348 ppm2 0.855 ASSI { 140} (( segid " " and resid 45 and name HA )) (( segid " " and resid 54 and name HA )) 2.400 0.700 0.700 peak 140 weight 0.10000E+01 volume 0.53350E+04 ppm1 4.652 ppm2 4.274 ASSI { 146} (( segid " " and resid 45 and name HB )) ( segid " " and resid 45 and name HG1%) 2.100 0.600 0.600 peak 146 weight 0.10000E+01 volume 0.12390E+05 ppm1 1.906 ppm2 0.853 ASSI { 151} (( segid " " and resid 54 and name HB )) ( segid " " and resid 54 and name HG1%) 2.200 0.600 0.600 peak 151 weight 0.10000E+01 volume 0.74190E+04 ppm1 1.597 ppm2 0.448 ASSI { 153} (( segid " " and resid 54 and name HB )) (( segid " " and resid 63 and name HB3 )) 2.800 1.000 1.000 peak 153 weight 0.10000E+01 volume 0.20020E+04 ppm1 1.617 ppm2 2.497 ASSI { 154} (( segid " " and resid 54 and name HB )) (( segid " " and resid 63 and name HB2 )) 2.600 0.800 0.800 peak 154 weight 0.10000E+01 volume 0.30000E+04 ppm1 1.608 ppm2 2.772 ASSI { 156} (( segid " " and resid 54 and name HB )) ( segid " " and resid 63 and name HD% ) 2.900 1.100 1.100 peak 156 weight 0.10000E+01 volume 0.15980E+04 ppm1 1.600 ppm2 6.969 ASSI { 157} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB )) 2.700 0.900 0.900 peak 157 weight 0.10000E+01 volume 0.22040E+04 ppm1 4.292 ppm2 1.596 ASSI { 158} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HG1%) 2.300 0.700 0.700 peak 158 weight 0.10000E+01 volume 0.66120E+04 ppm1 4.286 ppm2 0.435 ASSI { 166} (( segid " " and resid 55 and name HA )) (( segid " " and resid 62 and name HA )) 2.300 0.700 0.700 peak 166 weight 0.10000E+01 volume 0.71120E+04 ppm1 4.574 ppm2 5.349 ASSI { 182} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB )) 2.500 0.800 0.800 peak 182 weight 0.10000E+01 volume 0.42090E+04 ppm1 5.350 ppm2 3.690 ASSI { 190} (( segid " " and resid 53 and name HA )) (( segid " " and resid 64 and name HA )) 2.100 0.600 0.600 peak 190 weight 0.10000E+01 volume 0.10170E+05 ppm1 5.045 ppm2 4.959 ASSI { 192} (( segid " " and resid 53 and name HA )) ( segid " " and resid 64 and name HG1%) 2.200 0.600 0.600 peak 192 weight 0.10000E+01 volume 0.76350E+04 ppm1 5.045 ppm2 0.894 OR { 192} (( segid " " and resid 53 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 196} (( segid " " and resid 53 and name HB )) ( segid " " and resid 53 and name HG2%) 2.000 0.500 0.500 peak 196 weight 0.10000E+01 volume 0.17020E+05 ppm1 3.988 ppm2 1.033 ASSI { 200} (( segid " " and resid 53 and name HB )) ( segid " " and resid 64 and name HG1%) 2.600 2.600 2.900 peak 200 weight 0.10000E+01 volume 0.32250E+04 ppm1 3.996 ppm2 0.907 ASSI { 204} (( segid " " and resid 64 and name HA )) ( segid " " and resid 53 and name HG2%) 2.600 0.800 0.800 peak 204 weight 0.10000E+01 volume 0.32090E+04 ppm1 4.951 ppm2 1.041 ASSI { 206} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 206 weight 0.10000E+01 volume 0.27910E+04 ppm1 1.901 ppm2 4.970 ASSI { 207} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG1%) 1.900 0.500 0.500 peak 207 weight 0.10000E+01 volume 0.20600E+05 ppm1 1.888 ppm2 0.895 ASSI { 208} (( segid " " and resid 64 and name HB )) (( segid " " and resid 77 and name HB2 )) 2.400 0.700 0.700 peak 208 weight 0.10000E+01 volume 0.50610E+04 ppm1 1.876 ppm2 3.766 ASSI { 209} (( segid " " and resid 64 and name HB )) (( segid " " and resid 77 and name HB3 )) 2.500 0.800 0.800 peak 209 weight 0.10000E+01 volume 0.38740E+04 ppm1 1.876 ppm2 3.670 ASSI { 211} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB )) 2.900 1.100 1.100 peak 211 weight 0.10000E+01 volume 0.14820E+04 ppm1 5.240 ppm2 1.757 ASSI { 216} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) 2.900 1.100 1.100 peak 216 weight 0.10000E+01 volume 0.15940E+04 ppm1 5.240 ppm2 0.889 OR { 216} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 231} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) 2.600 2.600 2.900 peak 231 weight 0.10000E+01 volume 0.30000E+04 ppm1 4.657 ppm2 -0.435 ASSI { 233} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG13)) 2.500 0.800 0.800 peak 233 weight 0.10000E+01 volume 0.35900E+04 ppm1 4.660 ppm2 0.189 ASSI { 235} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HG2%) 2.200 0.600 0.600 peak 235 weight 0.10000E+01 volume 0.77940E+04 ppm1 4.681 ppm2 0.512 ASSI { 236} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB )) 2.700 0.900 0.900 peak 236 weight 0.10000E+01 volume 0.24250E+04 ppm1 4.667 ppm2 1.162 ASSI { 239} (( segid " " and resid 74 and name HB )) (( segid " " and resid 86 and name HB2 )) 2.700 0.900 0.900 peak 239 weight 0.10000E+01 volume 0.22040E+04 ppm1 1.163 ppm2 3.424 ASSI { 240} (( segid " " and resid 74 and name HB )) (( segid " " and resid 86 and name HB3 )) 3.000 1.100 1.100 peak 240 weight 0.10000E+01 volume 0.13670E+04 ppm1 1.163 ppm2 3.104 ASSI { 241} (( segid " " and resid 74 and name HB )) (( segid " " and resid 86 and name HA )) 2.800 2.800 2.700 peak 241 weight 0.10000E+01 volume 0.18030E+04 ppm1 1.163 ppm2 4.656 ASSI { 242} (( segid " " and resid 74 and name HB )) ( segid " " and resid 86 and name HD% ) 3.500 1.500 1.500 peak 242 weight 0.10000E+01 volume 0.55100E+03 ppm1 1.163 ppm2 6.965 ASSI { 243} (( segid " " and resid 75 and name HA )) ( segid " " and resid 86 and name HD% ) 2.900 1.100 1.100 peak 243 weight 0.10000E+01 volume 0.17660E+04 ppm1 5.683 ppm2 6.982 ASSI { 277} (( segid " " and resid 85 and name HA )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 277 weight 0.10000E+01 volume 0.43450E+04 ppm1 4.723 ppm2 5.680 ASSI { 278} (( segid " " and resid 85 and name HA )) (( segid " " and resid 75 and name HD1 )) 2.700 0.900 0.900 peak 278 weight 0.10000E+01 volume 0.23800E+04 ppm1 4.722 ppm2 6.838 ASSI { 284} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HG2 )) 2.800 1.000 1.000 peak 284 weight 0.10000E+01 volume 0.17920E+04 ppm1 4.723 ppm2 1.030 ASSI { 285} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HG3 )) 2.900 1.100 1.100 peak 285 weight 0.10000E+01 volume 0.17520E+04 ppm1 4.723 ppm2 -0.090 ASSI { 287} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB3 )) 2.800 1.000 1.000 peak 287 weight 0.10000E+01 volume 0.18000E+04 ppm1 4.723 ppm2 1.430 ASSI { 288} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 288 weight 0.10000E+01 volume 0.27230E+04 ppm1 4.723 ppm2 1.670 ASSI { 290} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.300 0.700 0.700 peak 290 weight 0.10000E+01 volume 0.58410E+04 ppm1 5.407 ppm2 2.125 ASSI { 291} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB3 )) 2.500 0.800 0.800 peak 291 weight 0.10000E+01 volume 0.38740E+04 ppm1 5.407 ppm2 1.780 ASSI { 293} (( segid " " and resid 83 and name HA )) (( segid " " and resid 77 and name HB3 )) 3.100 3.100 2.400 peak 293 weight 0.10000E+01 volume 0.10330E+04 ppm1 5.407 ppm2 3.650 ASSI { 295} (( segid " " and resid 78 and name HA )) ( segid " " and resid 63 and name HD% ) 2.900 1.100 1.100 peak 295 weight 0.10000E+01 volume 0.17660E+04 ppm1 4.825 ppm2 6.956 ASSI { 296} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 296 weight 0.10000E+01 volume 0.28960E+04 ppm1 4.841 ppm2 4.164 ASSI { 298} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB3 )) 2.600 0.800 0.800 peak 298 weight 0.10000E+01 volume 0.31240E+04 ppm1 4.838 ppm2 3.860 ASSI { 299} (( segid " " and resid 78 and name HA )) (( segid " " and resid 63 and name HB2 )) 3.100 3.100 2.400 peak 299 weight 0.10000E+01 volume 0.11400E+04 ppm1 4.832 ppm2 2.753 ASSI { 300} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HD3 )) 2.300 0.700 0.700 peak 300 weight 0.10000E+01 volume 0.59530E+04 ppm1 4.851 ppm2 2.497 ASSI { 301} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HD2 )) 2.400 0.700 0.700 peak 301 weight 0.10000E+01 volume 0.47370E+04 ppm1 4.840 ppm2 2.654 ASSI { 302} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HG2 )) 3.000 3.000 2.500 peak 302 weight 0.10000E+01 volume 0.12650E+04 ppm1 4.832 ppm2 1.674 ASSI { 303} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HG3 )) 3.000 1.100 1.100 peak 303 weight 0.10000E+01 volume 0.13990E+04 ppm1 4.832 ppm2 1.516 ASSI { 305} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 63 and name HE% ) 2.700 0.900 0.900 peak 305 weight 0.10000E+01 volume 0.24450E+04 ppm1 4.148 ppm2 6.750 ASSI { 309} (( segid " " and resid 78 and name HB3 )) ( segid " " and resid 63 and name HE% ) 2.600 0.800 0.800 peak 309 weight 0.10000E+01 volume 0.29200E+04 ppm1 3.868 ppm2 6.759 ASSI { 310} (( segid " " and resid 78 and name HB3 )) ( segid " " and resid 63 and name HD% ) 2.700 0.900 0.900 peak 310 weight 0.10000E+01 volume 0.22090E+04 ppm1 3.868 ppm2 6.966 ASSI { 311} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 63 and name HD% ) 2.900 2.900 2.600 peak 311 weight 0.10000E+01 volume 0.16910E+04 ppm1 4.155 ppm2 6.983 ASSI { 312} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 88 and name HZ3 )) 2.800 1.000 1.000 peak 312 weight 0.10000E+01 volume 0.20130E+04 ppm1 3.589 ppm2 6.141 OR { 312} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 88 and name HZ3 )) ASSI { 324} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB3 )) 2.200 0.600 0.600 peak 324 weight 0.10000E+01 volume 0.91120E+04 ppm1 4.119 ppm2 1.724 OR { 324} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) ASSI { 326} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HD2 )) 2.500 0.800 0.800 peak 326 weight 0.10000E+01 volume 0.42660E+04 ppm1 4.105 ppm2 1.337 OR { 326} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HD3 )) ASSI { 330} (( segid " " and resid 116 and name HA )) ( segid " " and resid 116 and name HG2%) 2.000 2.000 3.500 peak 330 weight 0.10000E+01 volume 0.13530E+05 ppm1 4.193 ppm2 0.082 ASSI { 332} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HD2%) 2.800 1.000 1.000 peak 332 weight 0.10000E+01 volume 0.21190E+04 ppm1 4.182 ppm2 0.179 ASSI { 334} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB3 )) 2.300 0.700 0.700 peak 334 weight 0.10000E+01 volume 0.70550E+04 ppm1 4.182 ppm2 1.583 ASSI { 337} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) 2.000 0.500 0.500 peak 337 weight 0.10000E+01 volume 0.15660E+05 ppm1 4.329 ppm2 3.875 ASSI { 338} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB3 )) 2.000 0.500 0.500 peak 338 weight 0.10000E+01 volume 0.14480E+05 ppm1 4.329 ppm2 3.798 ASSI { 339} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) 2.100 0.600 0.600 peak 339 weight 0.10000E+01 volume 0.11340E+05 ppm1 3.957 ppm2 2.137 OR { 339} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 340} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG3 )) 2.400 0.700 0.700 peak 340 weight 0.10000E+01 volume 0.52940E+04 ppm1 3.957 ppm2 2.330 OR { 340} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) ASSI { 341} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HD% ) 2.700 2.700 2.800 peak 341 weight 0.10000E+01 volume 0.22490E+04 ppm1 3.957 ppm2 7.162 ASSI { 342} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB3 )) 2.600 2.600 2.900 peak 342 weight 0.10000E+01 volume 0.28510E+04 ppm1 3.957 ppm2 2.782 ASSI { 343} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB3 )) 2.500 0.800 0.800 peak 343 weight 0.10000E+01 volume 0.43680E+04 ppm1 3.957 ppm2 3.022 ASSI { 344} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.700 0.900 0.900 peak 344 weight 0.10000E+01 volume 0.24940E+04 ppm1 3.957 ppm2 3.207 ASSI { 345} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HG2%) 2.000 0.500 0.500 peak 345 weight 0.10000E+01 volume 0.13790E+05 ppm1 4.040 ppm2 1.257 ASSI { 346} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB )) 2.000 2.000 3.500 peak 346 weight 0.10000E+01 volume 0.15630E+05 ppm1 4.040 ppm2 4.180 ASSI { 347} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.700 2.700 2.800 peak 347 weight 0.10000E+01 volume 0.26340E+04 ppm1 4.040 ppm2 2.021 OR { 347} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) ASSI { 348} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.500 2.500 3.000 peak 348 weight 0.10000E+01 volume 0.40900E+04 ppm1 4.040 ppm2 2.125 OR { 348} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 349} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.600 2.600 2.900 peak 349 weight 0.10000E+01 volume 0.32410E+04 ppm1 4.040 ppm2 2.421 ASSI { 350} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 54 and name HA )) 2.200 0.600 0.600 peak 350 weight 0.10000E+01 volume 0.88390E+04 ppm1 -0.190 ppm2 4.294 ASSI { 352} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 352 weight 0.10000E+01 volume 0.42090E+04 ppm1 -0.190 ppm2 7.622 ASSI { 353} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.600 0.800 0.800 peak 353 weight 0.10000E+01 volume 0.28550E+04 ppm1 -0.187 ppm2 6.978 ASSI { 355} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 43 and name HE% ) 2.900 2.900 2.600 peak 355 weight 0.10000E+01 volume 0.14700E+04 ppm1 -0.201 ppm2 6.532 ASSI { 356} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 53 and name HA )) 2.900 1.100 1.100 peak 356 weight 0.10000E+01 volume 0.15780E+04 ppm1 -0.188 ppm2 5.073 ASSI { 357} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 357 weight 0.10000E+01 volume 0.18430E+04 ppm1 -0.206 ppm2 3.284 ASSI { 359} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 54 and name HB )) 2.100 0.600 0.600 peak 359 weight 0.10000E+01 volume 0.10960E+05 ppm1 -0.191 ppm2 1.600 ASSI { 362} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 56 and name HD1%) 2.600 2.600 2.900 peak 362 weight 0.10000E+01 volume 0.31360E+04 ppm1 -0.195 ppm2 1.058 ASSI { 363} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 56 and name HG )) 2.700 0.900 0.900 peak 363 weight 0.10000E+01 volume 0.26020E+04 ppm1 0.452 ppm2 1.907 ASSI { 364} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 63 and name HB3 )) 3.000 3.000 2.500 peak 364 weight 0.10000E+01 volume 0.12140E+04 ppm1 0.428 ppm2 2.462 ASSI { 365} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 63 and name HB2 )) 2.800 1.000 1.000 peak 365 weight 0.10000E+01 volume 0.18460E+04 ppm1 0.447 ppm2 2.773 ASSI { 370} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 56 and name HA )) 2.800 2.800 2.700 peak 370 weight 0.10000E+01 volume 0.18340E+04 ppm1 0.442 ppm2 4.431 ASSI { 372} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 43 and name HE% ) 2.300 0.700 0.700 peak 372 weight 0.10000E+01 volume 0.63070E+04 ppm1 0.443 ppm2 6.526 ASSI { 374} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 30 and name HE% ) 2.600 0.800 0.800 peak 374 weight 0.10000E+01 volume 0.29280E+04 ppm1 0.442 ppm2 6.975 ASSI { 375} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 375 weight 0.10000E+01 volume 0.41690E+04 ppm1 0.442 ppm2 7.623 ASSI { 376} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 43 and name HD% ) 2.900 1.100 1.100 peak 376 weight 0.10000E+01 volume 0.16760E+04 ppm1 0.442 ppm2 7.192 ASSI { 377} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 30 and name HZ )) 3.000 3.000 2.500 peak 377 weight 0.10000E+01 volume 0.12270E+04 ppm1 0.432 ppm2 6.810 ASSI { 384} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HB2 )) 2.200 0.600 0.600 peak 384 weight 0.10000E+01 volume 0.83510E+04 ppm1 1.562 ppm2 2.312 ASSI { 385} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HG )) 2.600 0.800 0.800 peak 385 weight 0.10000E+01 volume 0.29720E+04 ppm1 1.560 ppm2 1.949 ASSI { 386} (( segid " " and resid 60 and name HB3 )) ( segid " " and resid 60 and name HD1%) 2.100 0.600 0.600 peak 386 weight 0.10000E+01 volume 0.12420E+05 ppm1 1.545 ppm2 1.066 ASSI { 387} (( segid " " and resid 60 and name HB3 )) ( segid " " and resid 60 and name HD2%) 2.200 0.600 0.600 peak 387 weight 0.10000E+01 volume 0.82370E+04 ppm1 1.562 ppm2 0.967 ASSI { 389} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HD% ) 2.200 0.600 0.600 peak 389 weight 0.10000E+01 volume 0.80210E+04 ppm1 5.212 ppm2 7.678 ASSI { 390} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB2 )) 2.700 0.900 0.900 peak 390 weight 0.10000E+01 volume 0.25380E+04 ppm1 5.222 ppm2 3.674 ASSI { 391} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB3 )) 2.600 0.800 0.800 peak 391 weight 0.10000E+01 volume 0.34460E+04 ppm1 5.228 ppm2 2.557 ASSI { 401} ( segid " " and resid 124 and name HB% ) (( segid " " and resid 22 and name HA )) 2.200 2.200 3.300 peak 401 weight 0.10000E+01 volume 0.90100E+04 ppm1 1.248 ppm2 3.968 ASSI { 402} ( segid " " and resid 124 and name HB% ) (( segid " " and resid 25 and name HB3 )) 2.100 2.100 3.400 peak 402 weight 0.10000E+01 volume 0.12640E+05 ppm1 1.251 ppm2 4.157 ASSI { 404} ( segid " " and resid 124 and name HB% ) ( segid " " and resid 125 and name HE% ) 2.500 2.500 3.000 peak 404 weight 0.10000E+01 volume 0.43510E+04 ppm1 1.251 ppm2 6.962 ASSI { 405} ( segid " " and resid 124 and name HB% ) ( segid " " and resid 125 and name HD% ) 2.300 0.700 0.700 peak 405 weight 0.10000E+01 volume 0.68370E+04 ppm1 1.255 ppm2 7.230 ASSI { 406} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 69 and name HB )) 2.200 0.600 0.600 peak 406 weight 0.10000E+01 volume 0.95210E+04 ppm1 1.252 ppm2 4.249 ASSI { 418} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB3 )) 2.200 2.200 3.300 peak 418 weight 0.10000E+01 volume 0.91460E+04 ppm1 4.685 ppm2 2.445 ASSI { 422} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 114 and name HB3 )) 2.300 0.700 0.700 peak 422 weight 0.10000E+01 volume 0.65560E+04 ppm1 0.087 ppm2 1.531 ASSI { 425} ( segid " " and resid 116 and name HG2%) ( segid " " and resid 118 and name HD1%) 2.100 0.600 0.600 peak 425 weight 0.10000E+01 volume 0.98390E+04 ppm1 0.084 ppm2 0.859 ASSI { 426} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 118 and name HG )) 2.300 0.700 0.700 peak 426 weight 0.10000E+01 volume 0.67650E+04 ppm1 0.081 ppm2 0.796 ASSI { 427} ( segid " " and resid 116 and name HG2%) ( segid " " and resid 38 and name HE% ) 2.500 0.800 0.800 peak 427 weight 0.10000E+01 volume 0.39530E+04 ppm1 0.081 ppm2 6.689 ASSI { 428} ( segid " " and resid 116 and name HG2%) ( segid " " and resid 38 and name HD% ) 2.600 0.800 0.800 peak 428 weight 0.10000E+01 volume 0.31730E+04 ppm1 0.088 ppm2 6.916 ASSI { 501} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 27 and name HA )) 2.000 0.500 0.500 peak 501 weight 0.10000E+01 volume 0.13820E+05 ppm1 0.861 ppm2 3.775 ASSI { 502} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 24 and name HA )) 2.200 0.600 0.600 peak 502 weight 0.10000E+01 volume 0.83510E+04 ppm1 0.864 ppm2 4.299 ASSI { 503} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 47 and name HB2 )) 2.700 0.900 0.900 peak 503 weight 0.10000E+01 volume 0.23320E+04 ppm1 0.864 ppm2 3.075 ASSI { 504} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 47 and name HB3 )) 2.600 0.800 0.800 peak 504 weight 0.10000E+01 volume 0.28470E+04 ppm1 0.868 ppm2 2.945 ASSI { 505} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 24 and name HB2 )) 2.900 2.900 2.600 peak 505 weight 0.10000E+01 volume 0.16640E+04 ppm1 0.872 ppm2 2.862 ASSI { 506} ( segid " " and resid 27 and name HB% ) ( segid " " and resid 47 and name HD% ) 2.300 0.700 0.700 peak 506 weight 0.10000E+01 volume 0.70890E+04 ppm1 0.864 ppm2 7.242 ASSI { 507} ( segid " " and resid 27 and name HB% ) ( segid " " and resid 47 and name HE% ) 2.900 1.100 1.100 peak 507 weight 0.10000E+01 volume 0.15280E+04 ppm1 0.868 ppm2 7.337 ASSI { 514} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 63 and name HD% ) 2.600 0.800 0.800 peak 514 weight 0.10000E+01 volume 0.28150E+04 ppm1 2.764 ppm2 6.954 ASSI { 515} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 63 and name HD% ) 2.700 0.900 0.900 peak 515 weight 0.10000E+01 volume 0.26020E+04 ppm1 2.482 ppm2 6.954 ASSI { 517} (( segid " " and resid 63 and name HA )) ( segid " " and resid 63 and name HD% ) 2.600 0.800 0.800 peak 517 weight 0.10000E+01 volume 0.32610E+04 ppm1 4.983 ppm2 6.950 ASSI { 518} (( segid " " and resid 63 and name HA )) ( segid " " and resid 63 and name HE% ) 3.300 1.400 1.400 peak 518 weight 0.10000E+01 volume 0.79900E+03 ppm1 4.983 ppm2 6.749 ASSI { 519} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 519 weight 0.10000E+01 volume 0.24480E+04 ppm1 4.990 ppm2 2.774 ASSI { 520} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB3 )) 2.400 0.700 0.700 peak 520 weight 0.10000E+01 volume 0.50770E+04 ppm1 4.992 ppm2 2.499 ASSI { 521} (( segid " " and resid 63 and name HA )) (( segid " " and resid 79 and name HD2 )) 2.600 0.800 0.800 peak 521 weight 0.10000E+01 volume 0.34220E+04 ppm1 4.998 ppm2 2.665 ASSI { 545} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.000 0.500 0.500 peak 545 weight 0.10000E+01 volume 0.16930E+05 ppm1 4.732 ppm2 3.070 ASSI { 547} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB3 )) 2.100 0.600 0.600 peak 547 weight 0.10000E+01 volume 0.12210E+05 ppm1 4.732 ppm2 2.775 ASSI { 548} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB3 )) 2.500 0.800 0.800 peak 548 weight 0.10000E+01 volume 0.38970E+04 ppm1 4.747 ppm2 2.273 ASSI { 549} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB3 )) 2.200 0.600 0.600 peak 549 weight 0.10000E+01 volume 0.93280E+04 ppm1 4.538 ppm2 2.128 OR { 549} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 550} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG2 )) 2.600 0.800 0.800 peak 550 weight 0.10000E+01 volume 0.29200E+04 ppm1 4.538 ppm2 2.652 ASSI { 551} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG3 )) 2.500 0.800 0.800 peak 551 weight 0.10000E+01 volume 0.36180E+04 ppm1 4.538 ppm2 2.513 ASSI { 554} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HG3 )) 2.400 0.700 0.700 peak 554 weight 0.10000E+01 volume 0.50610E+04 ppm1 2.127 ppm2 2.514 OR { 554} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG3 )) ASSI { 555} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG2 )) 2.400 0.700 0.700 peak 555 weight 0.10000E+01 volume 0.46520E+04 ppm1 2.127 ppm2 2.653 OR { 555} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 10 and name HG2 )) ASSI { 566} ( segid " " and resid 100 and name HG1%) (( segid " " and resid 100 and name HA )) 2.000 0.500 0.500 peak 566 weight 0.10000E+01 volume 0.16450E+05 ppm1 1.259 ppm2 4.114 ASSI { 568} (( segid " " and resid 69 and name HA )) ( segid " " and resid 15 and name HE% ) 2.300 0.700 0.700 peak 568 weight 0.10000E+01 volume 0.63950E+04 ppm1 4.021 ppm2 6.668 ASSI { 570} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HG2%) 2.200 0.600 0.600 peak 570 weight 0.10000E+01 volume 0.81010E+04 ppm1 4.021 ppm2 1.276 ASSI { 583} (( segid " " and resid 13 and name HB )) ( segid " " and resid 13 and name HG2%) 2.000 0.500 0.500 peak 583 weight 0.10000E+01 volume 0.15560E+05 ppm1 4.188 ppm2 1.263 ASSI { 584} (( segid " " and resid 13 and name HB )) ( segid " " and resid 14 and name HG2%) 2.300 2.300 3.200 peak 584 weight 0.10000E+01 volume 0.66200E+04 ppm1 4.188 ppm2 1.126 ASSI { 585} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB3 )) 2.500 0.800 0.800 peak 585 weight 0.10000E+01 volume 0.42090E+04 ppm1 3.862 ppm2 3.034 ASSI { 586} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.400 0.700 0.700 peak 586 weight 0.10000E+01 volume 0.49190E+04 ppm1 3.864 ppm2 3.189 ASSI { 587} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.500 2.500 3.000 peak 587 weight 0.10000E+01 volume 0.41130E+04 ppm1 3.868 ppm2 1.864 OR { 587} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 588} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB2 )) 2.600 0.800 0.800 peak 588 weight 0.10000E+01 volume 0.34340E+04 ppm1 3.862 ppm2 1.254 ASSI { 589} (( segid " " and resid 15 and name HA )) ( segid " " and resid 18 and name HD2%) 2.600 0.800 0.800 peak 589 weight 0.10000E+01 volume 0.29600E+04 ppm1 3.875 ppm2 -0.598 ASSI { 596} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HD% ) 2.400 0.700 0.700 peak 596 weight 0.10000E+01 volume 0.49890E+04 ppm1 3.872 ppm2 7.169 ASSI { 600} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 88 and name HZ2 )) 2.600 0.800 0.800 peak 600 weight 0.10000E+01 volume 0.33090E+04 ppm1 -0.598 ppm2 6.936 ASSI { 601} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 88 and name HH2 )) 2.900 1.100 1.100 peak 601 weight 0.10000E+01 volume 0.17630E+04 ppm1 -0.595 ppm2 6.612 ASSI { 602} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 93 and name HZ2 )) 2.900 2.900 2.600 peak 602 weight 0.10000E+01 volume 0.16020E+04 ppm1 -0.594 ppm2 6.505 ASSI { 606} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.200 0.600 0.600 peak 606 weight 0.10000E+01 volume 0.78620E+04 ppm1 3.484 ppm2 2.424 ASSI { 607} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG3 )) 2.300 2.300 3.200 peak 607 weight 0.10000E+01 volume 0.66360E+04 ppm1 3.484 ppm2 2.122 ASSI { 608} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.300 0.700 0.700 peak 608 weight 0.10000E+01 volume 0.65960E+04 ppm1 3.484 ppm2 2.022 OR { 608} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB3 )) ASSI { 609} (( segid " " and resid 16 and name HA )) ( segid " " and resid 19 and name HB% ) 2.300 2.300 3.200 peak 609 weight 0.10000E+01 volume 0.62020E+04 ppm1 3.484 ppm2 0.753 ASSI { 612} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HE% ) 2.900 2.900 2.600 peak 612 weight 0.10000E+01 volume 0.14860E+04 ppm1 3.484 ppm2 6.666 ASSI { 613} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HD% ) 2.600 2.600 2.900 peak 613 weight 0.10000E+01 volume 0.29160E+04 ppm1 3.484 ppm2 7.164 ASSI { 616} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HB3 )) 2.200 2.200 3.300 peak 616 weight 0.10000E+01 volume 0.91800E+04 ppm1 4.080 ppm2 2.154 ASSI { 617} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 1.900 0.500 0.500 peak 617 weight 0.10000E+01 volume 0.21920E+05 ppm1 4.080 ppm2 1.886 OR { 617} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) ASSI { 618} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG2 )) 2.300 0.700 0.700 peak 618 weight 0.10000E+01 volume 0.66120E+04 ppm1 4.080 ppm2 1.706 ASSI { 619} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG3 )) 2.200 2.200 3.300 peak 619 weight 0.10000E+01 volume 0.76690E+04 ppm1 4.080 ppm2 1.561 ASSI { 620} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) 2.600 0.800 0.800 peak 620 weight 0.10000E+01 volume 0.33450E+04 ppm1 4.080 ppm2 1.445 OR { 620} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG3 )) ASSI { 621} (( segid " " and resid 112 and name HA )) ( segid " " and resid 111 and name HG2%) 2.500 2.500 3.000 peak 621 weight 0.10000E+01 volume 0.39530E+04 ppm1 4.055 ppm2 1.151 ASSI { 628} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HD1%) 2.000 0.500 0.500 peak 628 weight 0.10000E+01 volume 0.14410E+05 ppm1 3.713 ppm2 -0.154 ASSI { 630} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB3 )) 2.400 0.700 0.700 peak 630 weight 0.10000E+01 volume 0.51980E+04 ppm1 3.713 ppm2 0.457 ASSI { 631} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB2 )) 2.400 0.700 0.700 peak 631 weight 0.10000E+01 volume 0.47150E+04 ppm1 3.713 ppm2 1.253 ASSI { 636} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HD2%) 2.800 1.000 1.000 peak 636 weight 0.10000E+01 volume 0.21240E+04 ppm1 3.713 ppm2 -0.605 ASSI { 644} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 644 weight 0.10000E+01 volume 0.23600E+04 ppm1 3.715 ppm2 2.404 ASSI { 646} (( segid " " and resid 18 and name HA )) ( segid " " and resid 125 and name HE% ) 2.600 0.800 0.800 peak 646 weight 0.10000E+01 volume 0.33050E+04 ppm1 3.715 ppm2 6.961 ASSI { 649} (( segid " " and resid 18 and name HB3 )) ( segid " " and resid 18 and name HD1%) 2.500 0.800 0.800 peak 649 weight 0.10000E+01 volume 0.39820E+04 ppm1 0.462 ppm2 -0.154 ASSI { 650} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HB2 )) 2.200 0.600 0.600 peak 650 weight 0.10000E+01 volume 0.76920E+04 ppm1 0.462 ppm2 1.262 ASSI { 652} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HG )) 2.400 0.700 0.700 peak 652 weight 0.10000E+01 volume 0.44480E+04 ppm1 0.462 ppm2 1.215 ASSI { 654} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 93 and name HZ2 )) 2.700 0.900 0.900 peak 654 weight 0.10000E+01 volume 0.24080E+04 ppm1 0.461 ppm2 6.504 ASSI { 660} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 93 and name HZ2 )) 2.800 1.000 1.000 peak 660 weight 0.10000E+01 volume 0.21240E+04 ppm1 1.270 ppm2 6.504 ASSI { 665} (( segid " " and resid 18 and name HG )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 665 weight 0.10000E+01 volume 0.21750E+04 ppm1 1.201 ppm2 3.713 ASSI { 666} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HB% ) 2.000 0.500 0.500 peak 666 weight 0.10000E+01 volume 0.14500E+05 ppm1 3.628 ppm2 0.753 ASSI { 667} (( segid " " and resid 19 and name HA )) ( segid " " and resid 22 and name HG2%) 2.800 2.800 2.700 peak 667 weight 0.10000E+01 volume 0.21780E+04 ppm1 3.628 ppm2 1.139 ASSI { 669} (( segid " " and resid 19 and name HA )) ( segid " " and resid 74 and name HD1%) 2.300 0.700 0.700 peak 669 weight 0.10000E+01 volume 0.63950E+04 ppm1 3.628 ppm2 -0.439 ASSI { 677} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 74 and name HD1%) 2.300 0.700 0.700 peak 677 weight 0.10000E+01 volume 0.72710E+04 ppm1 0.753 ppm2 -0.437 ASSI { 678} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 93 and name HZ2 )) 2.600 0.800 0.800 peak 678 weight 0.10000E+01 volume 0.29040E+04 ppm1 0.764 ppm2 6.504 ASSI { 679} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 15 and name HE% ) 2.600 0.800 0.800 peak 679 weight 0.10000E+01 volume 0.33690E+04 ppm1 0.753 ppm2 6.673 ASSI { 680} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 93 and name HH2 )) 2.800 1.000 1.000 peak 680 weight 0.10000E+01 volume 0.21750E+04 ppm1 0.753 ppm2 6.957 ASSI { 682} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 15 and name HD% ) 2.900 1.100 1.100 peak 682 weight 0.10000E+01 volume 0.15100E+04 ppm1 0.750 ppm2 7.152 ASSI { 684} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 684 weight 0.10000E+01 volume 0.18290E+04 ppm1 0.753 ppm2 3.868 ASSI { 685} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HA )) 3.000 1.100 1.100 peak 685 weight 0.10000E+01 volume 0.12350E+04 ppm1 0.753 ppm2 3.948 ASSI { 687} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 67 and name HA )) 2.800 2.800 2.700 peak 687 weight 0.10000E+01 volume 0.18970E+04 ppm1 0.753 ppm2 4.131 ASSI { 688} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HB )) 2.200 0.600 0.600 peak 688 weight 0.10000E+01 volume 0.77480E+04 ppm1 3.635 ppm2 4.282 ASSI { 692} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 2.200 0.600 0.600 peak 692 weight 0.10000E+01 volume 0.74640E+04 ppm1 3.955 ppm2 2.430 OR { 692} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG3 )) ASSI { 693} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.200 2.200 3.300 peak 693 weight 0.10000E+01 volume 0.95890E+04 ppm1 3.955 ppm2 2.260 ASSI { 694} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB3 )) 1.900 1.900 3.600 peak 694 weight 0.10000E+01 volume 0.20980E+05 ppm1 3.955 ppm2 2.163 ASSI { 697} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB3 )) 2.800 2.800 2.700 peak 697 weight 0.10000E+01 volume 0.20870E+04 ppm1 3.955 ppm2 1.403 ASSI { 703} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG3 )) 1.800 0.400 0.400 peak 703 weight 0.10000E+01 volume 0.31500E+05 ppm1 2.158 ppm2 2.415 OR { 703} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HG2 )) ASSI { 707} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.200 2.200 3.300 peak 707 weight 0.10000E+01 volume 0.89410E+04 ppm1 4.183 ppm2 2.390 ASSI { 708} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB3 )) 2.100 2.100 3.400 peak 708 weight 0.10000E+01 volume 0.97140E+04 ppm1 4.194 ppm2 2.191 ASSI { 709} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG2 )) 2.300 0.700 0.700 peak 709 weight 0.10000E+01 volume 0.62260E+04 ppm1 4.172 ppm2 2.712 OR { 709} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG3 )) ASSI { 712} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HB2 )) 1.900 0.500 0.500 peak 712 weight 0.10000E+01 volume 0.19700E+05 ppm1 2.728 ppm2 2.365 OR { 712} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB2 )) ASSI { 713} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB3 )) 2.400 0.700 0.700 peak 713 weight 0.10000E+01 volume 0.45220E+04 ppm1 2.729 ppm2 2.206 OR { 713} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HB3 )) ASSI { 714} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.300 0.700 0.700 peak 714 weight 0.10000E+01 volume 0.62990E+04 ppm1 4.179 ppm2 2.881 ASSI { 718} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 22 and name HA )) 2.000 0.500 0.500 peak 718 weight 0.10000E+01 volume 0.13100E+05 ppm1 1.132 ppm2 3.970 ASSI { 722} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 125 and name HD% ) 2.700 2.700 2.800 peak 722 weight 0.10000E+01 volume 0.23090E+04 ppm1 1.143 ppm2 7.243 ASSI { 727} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB )) 2.200 2.200 3.300 peak 727 weight 0.10000E+01 volume 0.80550E+04 ppm1 3.973 ppm2 4.276 ASSI { 731} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HD1%) 2.400 2.400 3.100 peak 731 weight 0.10000E+01 volume 0.45840E+04 ppm1 3.834 ppm2 0.736 ASSI { 732} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HD2%) 2.000 0.500 0.500 peak 732 weight 0.10000E+01 volume 0.13880E+05 ppm1 3.834 ppm2 0.604 ASSI { 734} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB3 )) 2.500 0.800 0.800 peak 734 weight 0.10000E+01 volume 0.38800E+04 ppm1 3.826 ppm2 1.420 ASSI { 735} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HG )) 2.400 0.700 0.700 peak 735 weight 0.10000E+01 volume 0.48910E+04 ppm1 3.826 ppm2 1.638 ASSI { 736} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) 2.400 0.700 0.700 peak 736 weight 0.10000E+01 volume 0.54310E+04 ppm1 3.830 ppm2 1.959 ASSI { 737} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 737 weight 0.10000E+01 volume 0.50450E+04 ppm1 3.826 ppm2 1.916 ASSI { 738} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HG )) 2.600 2.600 2.900 peak 738 weight 0.10000E+01 volume 0.30320E+04 ppm1 3.826 ppm2 1.784 ASSI { 742} (( segid " " and resid 23 and name HA )) ( segid " " and resid 22 and name HG2%) 2.700 0.900 0.900 peak 742 weight 0.10000E+01 volume 0.25180E+04 ppm1 3.832 ppm2 1.137 ASSI { 745} (( segid " " and resid 23 and name HA )) ( segid " " and resid 27 and name HB% ) 2.700 2.700 2.800 peak 745 weight 0.10000E+01 volume 0.25900E+04 ppm1 3.828 ppm2 0.873 ASSI { 746} (( segid " " and resid 23 and name HA )) ( segid " " and resid 26 and name HD1%) 2.000 2.000 3.500 peak 746 weight 0.10000E+01 volume 0.15910E+05 ppm1 3.832 ppm2 0.552 ASSI { 748} (( segid " " and resid 23 and name HA )) ( segid " " and resid 26 and name HD2%) 2.600 2.600 2.900 peak 748 weight 0.10000E+01 volume 0.27830E+04 ppm1 3.832 ppm2 0.423 ASSI { 753} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HB2 )) 2.300 0.700 0.700 peak 753 weight 0.10000E+01 volume 0.72370E+04 ppm1 1.427 ppm2 2.000 ASSI { 754} (( segid " " and resid 23 and name HB3 )) ( segid " " and resid 23 and name HD1%) 2.400 0.700 0.700 peak 754 weight 0.10000E+01 volume 0.49890E+04 ppm1 1.427 ppm2 0.735 ASSI { 755} (( segid " " and resid 23 and name HB3 )) ( segid " " and resid 23 and name HD2%) 2.500 0.800 0.800 peak 755 weight 0.10000E+01 volume 0.43060E+04 ppm1 1.427 ppm2 0.608 ASSI { 757} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 23 and name HD1%) 2.300 0.700 0.700 peak 757 weight 0.10000E+01 volume 0.63870E+04 ppm1 1.997 ppm2 0.741 ASSI { 758} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 23 and name HD2%) 2.500 0.800 0.800 peak 758 weight 0.10000E+01 volume 0.34700E+04 ppm1 1.991 ppm2 0.606 ASSI { 759} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG )) 2.300 0.700 0.700 peak 759 weight 0.10000E+01 volume 0.62420E+04 ppm1 2.001 ppm2 1.618 ASSI { 768} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.400 0.700 0.700 peak 768 weight 0.10000E+01 volume 0.53430E+04 ppm1 2.132 ppm2 1.686 OR { 768} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB3 )) ASSI { 769} (( segid " " and resid 72 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.600 2.600 2.900 peak 769 weight 0.10000E+01 volume 0.29480E+04 ppm1 2.132 ppm2 1.514 ASSI { 770} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD3 )) 2.600 0.800 0.800 peak 770 weight 0.10000E+01 volume 0.31770E+04 ppm1 2.132 ppm2 1.255 OR { 770} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD2 )) ASSI { 771} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG3 )) 2.500 0.800 0.800 peak 771 weight 0.10000E+01 volume 0.37830E+04 ppm1 2.132 ppm2 0.869 OR { 771} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) ASSI { 773} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.300 0.700 0.700 peak 773 weight 0.10000E+01 volume 0.68050E+04 ppm1 4.292 ppm2 2.872 ASSI { 774} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB3 )) 2.200 2.200 3.300 peak 774 weight 0.10000E+01 volume 0.79300E+04 ppm1 4.292 ppm2 2.687 ASSI { 776} (( segid " " and resid 24 and name HA )) ( segid " " and resid 47 and name HD% ) 2.400 2.400 3.100 peak 776 weight 0.10000E+01 volume 0.53990E+04 ppm1 4.299 ppm2 7.253 ASSI { 778} (( segid " " and resid 24 and name HA )) ( segid " " and resid 47 and name HE% ) 2.700 0.900 0.900 peak 778 weight 0.10000E+01 volume 0.26060E+04 ppm1 4.293 ppm2 7.344 ASSI { 784} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HB2 )) 1.900 0.500 0.500 peak 784 weight 0.10000E+01 volume 0.23010E+05 ppm1 4.156 ppm2 4.239 ASSI { 785} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.100 2.100 3.400 peak 785 weight 0.10000E+01 volume 0.10680E+05 ppm1 4.229 ppm2 4.335 ASSI { 786} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HA )) 2.000 0.500 0.500 peak 786 weight 0.10000E+01 volume 0.13720E+05 ppm1 4.156 ppm2 4.329 ASSI { 787} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD2%) 2.000 2.000 3.500 peak 787 weight 0.10000E+01 volume 0.13190E+05 ppm1 4.016 ppm2 0.423 ASSI { 788} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD1%) 2.200 2.200 3.300 peak 788 weight 0.10000E+01 volume 0.86690E+04 ppm1 4.019 ppm2 0.559 ASSI { 789} (( segid " " and resid 26 and name HA )) ( segid " " and resid 123 and name HD1%) 2.400 0.700 0.700 peak 789 weight 0.10000E+01 volume 0.46180E+04 ppm1 4.014 ppm2 0.760 ASSI { 790} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB3 )) 2.500 0.800 0.800 peak 790 weight 0.10000E+01 volume 0.36010E+04 ppm1 4.016 ppm2 1.213 ASSI { 791} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.600 0.800 0.800 peak 791 weight 0.10000E+01 volume 0.31730E+04 ppm1 4.016 ppm2 1.930 ASSI { 792} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 2.500 0.800 0.800 peak 792 weight 0.10000E+01 volume 0.41520E+04 ppm1 4.016 ppm2 1.787 ASSI { 793} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 793 weight 0.10000E+01 volume 0.46180E+04 ppm1 4.016 ppm2 3.167 OR { 793} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HB3 )) ASSI { 794} (( segid " " and resid 26 and name HA )) ( segid " " and resid 29 and name HD% ) 2.800 1.000 1.000 peak 794 weight 0.10000E+01 volume 0.17830E+04 ppm1 4.016 ppm2 6.499 ASSI { 800} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 800 weight 0.10000E+01 volume 0.21070E+04 ppm1 1.207 ppm2 3.849 ASSI { 801} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 801 weight 0.10000E+01 volume 0.54710E+04 ppm1 1.207 ppm2 1.928 ASSI { 804} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 26 and name HD1%) 1.800 0.400 0.400 peak 804 weight 0.10000E+01 volume 0.26000E+05 ppm1 0.427 ppm2 0.562 ASSI { 806} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 65 and name HD1%) 2.100 0.600 0.600 peak 806 weight 0.10000E+01 volume 0.10640E+05 ppm1 0.427 ppm2 0.757 ASSI { 807} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 118 and name HG )) 2.300 2.300 3.200 peak 807 weight 0.10000E+01 volume 0.59610E+04 ppm1 0.419 ppm2 0.789 ASSI { 808} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 118 and name HD2%) 2.100 0.600 0.600 peak 808 weight 0.10000E+01 volume 0.10250E+05 ppm1 0.419 ppm2 0.875 ASSI { 810} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB3 )) 2.100 0.600 0.600 peak 810 weight 0.10000E+01 volume 0.11410E+05 ppm1 0.427 ppm2 1.209 ASSI { 811} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 102 and name HB2 )) 2.600 2.600 2.900 peak 811 weight 0.10000E+01 volume 0.29040E+04 ppm1 0.415 ppm2 1.460 ASSI { 813} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 107 and name HB% ) 1.900 0.500 0.500 peak 813 weight 0.10000E+01 volume 0.18250E+05 ppm1 0.415 ppm2 1.608 ASSI { 815} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HG )) 2.100 0.600 0.600 peak 815 weight 0.10000E+01 volume 0.11140E+05 ppm1 0.431 ppm2 1.782 ASSI { 816} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 816 weight 0.10000E+01 volume 0.42490E+04 ppm1 0.427 ppm2 1.924 ASSI { 817} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HB2 )) 2.400 0.700 0.700 peak 817 weight 0.10000E+01 volume 0.48340E+04 ppm1 0.415 ppm2 2.062 ASSI { 821} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 107 and name HA )) 2.100 0.600 0.600 peak 821 weight 0.10000E+01 volume 0.96340E+04 ppm1 0.411 ppm2 3.727 ASSI { 824} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HA )) 2.300 0.700 0.700 peak 824 weight 0.10000E+01 volume 0.67970E+04 ppm1 0.408 ppm2 4.207 ASSI { 826} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) 2.600 0.800 0.800 peak 826 weight 0.10000E+01 volume 0.28670E+04 ppm1 0.427 ppm2 7.623 ASSI { 827} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.100 0.600 0.600 peak 827 weight 0.10000E+01 volume 0.10300E+05 ppm1 0.416 ppm2 6.983 ASSI { 829} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 29 and name HE% ) 2.200 0.600 0.600 peak 829 weight 0.10000E+01 volume 0.74640E+04 ppm1 0.412 ppm2 6.770 ASSI { 837} (( segid " " and resid 27 and name HA )) ( segid " " and resid 52 and name HD1%) 2.100 0.600 0.600 peak 837 weight 0.10000E+01 volume 0.11040E+05 ppm1 3.786 ppm2 0.708 OR { 837} (( segid " " and resid 27 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 839} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HB3 )) 2.800 1.000 1.000 peak 839 weight 0.10000E+01 volume 0.21810E+04 ppm1 3.776 ppm2 2.815 ASSI { 840} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.900 2.900 2.600 peak 840 weight 0.10000E+01 volume 0.17630E+04 ppm1 3.786 ppm2 3.275 ASSI { 842} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 28 and name HA )) 2.700 0.900 0.900 peak 842 weight 0.10000E+01 volume 0.23770E+04 ppm1 0.864 ppm2 4.006 ASSI { 843} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB3 )) 2.000 0.500 0.500 peak 843 weight 0.10000E+01 volume 0.17090E+05 ppm1 3.988 ppm2 2.170 OR { 843} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) ASSI { 844} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG2 )) 2.100 0.600 0.600 peak 844 weight 0.10000E+01 volume 0.10700E+05 ppm1 3.988 ppm2 2.448 ASSI { 846} (( segid " " and resid 104 and name HA )) ( segid " " and resid 107 and name HB% ) 2.200 0.600 0.600 peak 846 weight 0.10000E+01 volume 0.88850E+04 ppm1 3.988 ppm2 1.600 ASSI { 857} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 28 and name HA )) 2.400 0.700 0.700 peak 857 weight 0.10000E+01 volume 0.54710E+04 ppm1 2.238 ppm2 3.990 ASSI { 861} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HA )) 2.300 0.700 0.700 peak 861 weight 0.10000E+01 volume 0.68530E+04 ppm1 3.167 ppm2 4.165 OR { 861} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) ASSI { 864} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 123 and name HD2%) 2.500 2.500 3.000 peak 864 weight 0.10000E+01 volume 0.40160E+04 ppm1 3.167 ppm2 0.569 OR { 864} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 123 and name HD2%) ASSI { 865} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 29 and name HD% ) 2.300 0.700 0.700 peak 865 weight 0.10000E+01 volume 0.66840E+04 ppm1 3.167 ppm2 6.496 OR { 865} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 29 and name HD% ) ASSI { 867} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 29 and name HE% ) 2.900 1.100 1.100 peak 867 weight 0.10000E+01 volume 0.16380E+04 ppm1 3.167 ppm2 6.765 OR { 867} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 29 and name HE% ) ASSI { 868} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.500 0.800 0.800 peak 868 weight 0.10000E+01 volume 0.43060E+04 ppm1 4.147 ppm2 3.273 ASSI { 869} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB3 )) 2.500 0.800 0.800 peak 869 weight 0.10000E+01 volume 0.38570E+04 ppm1 4.147 ppm2 2.814 ASSI { 870} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 870 weight 0.10000E+01 volume 0.39710E+04 ppm1 4.147 ppm2 1.582 ASSI { 871} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG )) 2.400 0.700 0.700 peak 871 weight 0.10000E+01 volume 0.44530E+04 ppm1 4.147 ppm2 1.512 ASSI { 873} (( segid " " and resid 30 and name HA )) ( segid " " and resid 45 and name HG2%) 2.600 2.600 2.900 peak 873 weight 0.10000E+01 volume 0.29720E+04 ppm1 4.154 ppm2 0.782 ASSI { 874} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD1%) 2.300 0.700 0.700 peak 874 weight 0.10000E+01 volume 0.65480E+04 ppm1 4.147 ppm2 0.696 ASSI { 875} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD2%) 2.700 2.700 2.800 peak 875 weight 0.10000E+01 volume 0.24710E+04 ppm1 4.147 ppm2 0.604 ASSI { 876} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HD% ) 2.200 0.600 0.600 peak 876 weight 0.10000E+01 volume 0.93050E+04 ppm1 4.148 ppm2 7.626 ASSI { 880} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 880 weight 0.10000E+01 volume 0.37830E+04 ppm1 3.275 ppm2 7.627 ASSI { 881} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 30 and name HD% ) 2.600 0.800 0.800 peak 881 weight 0.10000E+01 volume 0.32970E+04 ppm1 2.823 ppm2 7.627 ASSI { 882} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 882 weight 0.10000E+01 volume 0.54550E+04 ppm1 2.823 ppm2 3.274 ASSI { 883} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 45 and name HG1%) 2.700 0.900 0.900 peak 883 weight 0.10000E+01 volume 0.26260E+04 ppm1 2.837 ppm2 0.848 ASSI { 884} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 45 and name HG2%) 2.500 0.800 0.800 peak 884 weight 0.10000E+01 volume 0.36070E+04 ppm1 2.837 ppm2 0.786 ASSI { 886} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 45 and name HG2%) 2.400 0.700 0.700 peak 886 weight 0.10000E+01 volume 0.48680E+04 ppm1 3.272 ppm2 0.786 ASSI { 887} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 52 and name HD1%) 2.900 1.100 1.100 peak 887 weight 0.10000E+01 volume 0.14780E+04 ppm1 2.838 ppm2 0.689 OR { 887} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 52 and name HD2%) ASSI { 889} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 54 and name HG1%) 2.900 1.100 1.100 peak 889 weight 0.10000E+01 volume 0.14500E+04 ppm1 3.289 ppm2 0.443 ASSI { 899} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG2 )) 2.500 0.800 0.800 peak 899 weight 0.10000E+01 volume 0.38630E+04 ppm1 4.242 ppm2 2.531 ASSI { 901} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG3 )) 2.200 0.600 0.600 peak 901 weight 0.10000E+01 volume 0.93050E+04 ppm1 4.242 ppm2 2.280 ASSI { 902} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB3 )) 2.200 0.600 0.600 peak 902 weight 0.10000E+01 volume 0.85440E+04 ppm1 4.242 ppm2 2.101 OR { 902} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) ASSI { 903} (( segid " " and resid 31 and name HA )) ( segid " " and resid 34 and name HB% ) 2.400 0.700 0.700 peak 903 weight 0.10000E+01 volume 0.56320E+04 ppm1 4.242 ppm2 1.632 ASSI { 905} (( segid " " and resid 31 and name HA )) ( segid " " and resid 45 and name HG2%) 2.100 0.600 0.600 peak 905 weight 0.10000E+01 volume 0.10880E+05 ppm1 4.242 ppm2 0.785 ASSI { 906} (( segid " " and resid 31 and name HA )) ( segid " " and resid 43 and name HE% ) 2.700 2.700 2.800 peak 906 weight 0.10000E+01 volume 0.27150E+04 ppm1 4.241 ppm2 6.530 ASSI { 909} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 41 and name HA )) 2.000 0.500 0.500 peak 909 weight 0.10000E+01 volume 0.14340E+05 ppm1 2.402 ppm2 4.229 OR { 909} (( segid " " and resid 41 and name HG2 )) (( segid " " and resid 41 and name HA )) ASSI { 911} (( segid " " and resid 28 and name HG3 )) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.000 peak 911 weight 0.10000E+01 volume 0.20500E+04 ppm1 2.251 ppm2 4.313 ASSI { 914} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HG2 )) 1.900 0.500 0.500 peak 914 weight 0.10000E+01 volume 0.17820E+05 ppm1 2.293 ppm2 2.534 ASSI { 915} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 45 and name HG1%) 2.400 0.700 0.700 peak 915 weight 0.10000E+01 volume 0.52460E+04 ppm1 2.542 ppm2 0.853 ASSI { 917} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 45 and name HG2%) 2.900 1.100 1.100 peak 917 weight 0.10000E+01 volume 0.16990E+04 ppm1 2.542 ppm2 0.794 ASSI { 918} (( segid " " and resid 31 and name HG3 )) ( segid " " and resid 45 and name HG2%) 2.600 0.800 0.800 peak 918 weight 0.10000E+01 volume 0.28870E+04 ppm1 2.293 ppm2 0.784 ASSI { 919} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.000 2.000 3.500 peak 919 weight 0.10000E+01 volume 0.15500E+05 ppm1 4.424 ppm2 2.712 ASSI { 920} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB3 )) 2.100 2.100 3.400 peak 920 weight 0.10000E+01 volume 0.10430E+05 ppm1 4.424 ppm2 2.586 ASSI { 925} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD1%) 2.400 2.400 3.100 peak 925 weight 0.10000E+01 volume 0.54870E+04 ppm1 3.827 ppm2 0.698 ASSI { 926} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 2.000 0.500 0.500 peak 926 weight 0.10000E+01 volume 0.13820E+05 ppm1 3.827 ppm2 0.602 ASSI { 928} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB3 )) 2.300 0.700 0.700 peak 928 weight 0.10000E+01 volume 0.60580E+04 ppm1 3.827 ppm2 1.246 ASSI { 930} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name HD3 )) 2.300 2.300 3.200 peak 930 weight 0.10000E+01 volume 0.57520E+04 ppm1 3.827 ppm2 1.403 OR { 930} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name HD2 )) ASSI { 931} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) 2.400 0.700 0.700 peak 931 weight 0.10000E+01 volume 0.54710E+04 ppm1 3.827 ppm2 1.538 ASSI { 934} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.500 0.800 0.800 peak 934 weight 0.10000E+01 volume 0.36180E+04 ppm1 1.599 ppm2 3.830 ASSI { 937} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HB2 )) 2.000 0.500 0.500 peak 937 weight 0.10000E+01 volume 0.13690E+05 ppm1 1.248 ppm2 1.584 ASSI { 938} (( segid " " and resid 33 and name HB3 )) ( segid " " and resid 33 and name HD1%) 2.300 0.700 0.700 peak 938 weight 0.10000E+01 volume 0.69900E+04 ppm1 1.254 ppm2 0.692 ASSI { 939} (( segid " " and resid 33 and name HB3 )) ( segid " " and resid 33 and name HD2%) 2.400 0.700 0.700 peak 939 weight 0.10000E+01 volume 0.53670E+04 ppm1 1.254 ppm2 0.603 ASSI { 940} (( segid " " and resid 33 and name HB3 )) ( segid " " and resid 39 and name HG2%) 2.300 0.700 0.700 peak 940 weight 0.10000E+01 volume 0.56960E+04 ppm1 1.254 ppm2 0.541 ASSI { 942} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD1%) 2.200 0.600 0.600 peak 942 weight 0.10000E+01 volume 0.79070E+04 ppm1 1.599 ppm2 0.692 ASSI { 943} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD2%) 2.400 2.400 3.100 peak 943 weight 0.10000E+01 volume 0.51180E+04 ppm1 1.599 ppm2 0.593 ASSI { 944} (( segid " " and resid 123 and name HB3 )) ( segid " " and resid 123 and name HD2%) 2.400 0.700 0.700 peak 944 weight 0.10000E+01 volume 0.50610E+04 ppm1 1.599 ppm2 0.541 ASSI { 945} (( segid " " and resid 33 and name HG )) ( segid " " and resid 33 and name HD1%) 2.100 0.600 0.600 peak 945 weight 0.10000E+01 volume 0.10590E+05 ppm1 1.533 ppm2 0.703 ASSI { 951} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 114 and name HD2%) 2.200 2.200 3.300 peak 951 weight 0.10000E+01 volume 0.82710E+04 ppm1 0.700 ppm2 0.926 OR { 951} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 114 and name HD1%) ASSI { 954} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 33 and name HD2%) 1.700 0.400 0.500 peak 954 weight 0.10000E+01 volume 0.36810E+05 ppm1 0.687 ppm2 0.601 ASSI { 956} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 29 and name HD% ) 2.700 0.900 0.900 peak 956 weight 0.10000E+01 volume 0.27230E+04 ppm1 0.700 ppm2 6.515 ASSI { 957} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 38 and name HE% ) 2.400 2.400 3.100 peak 957 weight 0.10000E+01 volume 0.52940E+04 ppm1 0.700 ppm2 6.689 ASSI { 958} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 29 and name HE% ) 2.300 0.700 0.700 peak 958 weight 0.10000E+01 volume 0.58730E+04 ppm1 0.700 ppm2 6.776 ASSI { 960} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 30 and name HE% ) 2.700 2.700 2.800 peak 960 weight 0.10000E+01 volume 0.26910E+04 ppm1 0.700 ppm2 6.988 ASSI { 963} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 36 and name HE2 )) 2.800 1.000 1.000 peak 963 weight 0.10000E+01 volume 0.21410E+04 ppm1 0.588 ppm2 3.001 ASSI { 965} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 36 and name HE2 )) 2.800 2.800 2.700 peak 965 weight 0.10000E+01 volume 0.20730E+04 ppm1 0.537 ppm2 2.967 ASSI { 966} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 43 and name HB3 )) 2.700 0.900 0.900 peak 966 weight 0.10000E+01 volume 0.23600E+04 ppm1 0.537 ppm2 2.937 ASSI { 969} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HG )) 2.100 0.600 0.600 peak 969 weight 0.10000E+01 volume 0.12790E+05 ppm1 0.620 ppm2 1.512 ASSI { 974} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 29 and name HE% ) 2.200 0.600 0.600 peak 974 weight 0.10000E+01 volume 0.94070E+04 ppm1 0.566 ppm2 6.768 ASSI { 975} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 38 and name HD% ) 2.300 0.700 0.700 peak 975 weight 0.10000E+01 volume 0.70670E+04 ppm1 0.543 ppm2 6.909 ASSI { 979} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 43 and name HE% ) 2.100 0.600 0.600 peak 979 weight 0.10000E+01 volume 0.10430E+05 ppm1 0.789 ppm2 6.533 ASSI { 980} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 43 and name HD% ) 2.700 2.700 2.800 peak 980 weight 0.10000E+01 volume 0.26180E+04 ppm1 0.774 ppm2 7.203 ASSI { 981} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 63 and name HE% ) 2.300 2.300 3.200 peak 981 weight 0.10000E+01 volume 0.59690E+04 ppm1 0.876 ppm2 6.771 ASSI { 984} (( segid " " and resid 34 and name HA )) ( segid " " and resid 39 and name HG2%) 2.400 0.700 0.700 peak 984 weight 0.10000E+01 volume 0.46410E+04 ppm1 3.640 ppm2 0.533 ASSI { 986} (( segid " " and resid 34 and name HA )) ( segid " " and resid 43 and name HD% ) 2.300 0.700 0.700 peak 986 weight 0.10000E+01 volume 0.69250E+04 ppm1 3.640 ppm2 7.197 ASSI { 987} ( segid " " and resid 34 and name HB% ) ( segid " " and resid 43 and name HE% ) 2.000 2.000 3.500 peak 987 weight 0.10000E+01 volume 0.14630E+05 ppm1 1.632 ppm2 6.530 ASSI { 988} ( segid " " and resid 113 and name HB% ) ( segid " " and resid 63 and name HE% ) 2.900 2.900 2.600 peak 988 weight 0.10000E+01 volume 0.16240E+04 ppm1 1.632 ppm2 6.758 ASSI { 990} ( segid " " and resid 34 and name HB% ) ( segid " " and resid 43 and name HD% ) 2.100 0.600 0.600 peak 990 weight 0.10000E+01 volume 0.96230E+04 ppm1 1.632 ppm2 7.196 ASSI { 991} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 34 and name HA )) 1.800 0.400 0.400 peak 991 weight 0.10000E+01 volume 0.29770E+05 ppm1 1.632 ppm2 3.636 ASSI { 994} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 35 and name HA )) 2.100 2.100 3.400 peak 994 weight 0.10000E+01 volume 0.11390E+05 ppm1 1.615 ppm2 4.594 ASSI { 999} ( segid " " and resid 107 and name HB% ) (( segid " " and resid 107 and name HA )) 1.900 0.500 0.500 peak 999 weight 0.10000E+01 volume 0.22880E+05 ppm1 1.604 ppm2 3.724 ASSI { 1004} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 35 and name HB3 )) 2.600 2.600 2.900 peak 1004 weight 0.10000E+01 volume 0.33490E+04 ppm1 1.623 ppm2 2.648 ASSI { 1012} ( segid " " and resid 34 and name HB% ) ( segid " " and resid 45 and name HG2%) 2.400 0.700 0.700 peak 1012 weight 0.10000E+01 volume 0.52860E+04 ppm1 1.628 ppm2 0.795 ASSI { 1014} ( segid " " and resid 34 and name HB% ) ( segid " " and resid 39 and name HG2%) 2.500 2.500 3.000 peak 1014 weight 0.10000E+01 volume 0.43340E+04 ppm1 1.625 ppm2 0.535 ASSI { 1020} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB3 )) 2.000 2.000 3.500 peak 1020 weight 0.10000E+01 volume 0.14590E+05 ppm1 4.589 ppm2 2.629 ASSI { 1021} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.200 0.600 0.600 peak 1021 weight 0.10000E+01 volume 0.95780E+04 ppm1 4.595 ppm2 2.449 ASSI { 1023} (( segid " " and resid 119 and name HA )) ( segid " " and resid 107 and name HB% ) 2.100 2.100 3.400 peak 1023 weight 0.10000E+01 volume 0.10970E+05 ppm1 4.595 ppm2 1.607 ASSI { 1024} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.200 0.600 0.600 peak 1024 weight 0.10000E+01 volume 0.84410E+04 ppm1 2.717 ppm2 4.589 ASSI { 1033} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 1033 weight 0.10000E+01 volume 0.31770E+04 ppm1 4.254 ppm2 1.205 ASSI { 1034} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB3 )) 2.500 0.800 0.800 peak 1034 weight 0.10000E+01 volume 0.36240E+04 ppm1 4.254 ppm2 0.534 ASSI { 1036} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HD2 )) 2.200 0.600 0.600 peak 1036 weight 0.10000E+01 volume 0.79420E+04 ppm1 4.254 ppm2 3.709 ASSI { 1039} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HG3 )) 2.500 2.500 3.000 peak 1039 weight 0.10000E+01 volume 0.42090E+04 ppm1 4.254 ppm2 1.467 ASSI { 1040} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HD3 )) 2.700 0.900 0.900 peak 1040 weight 0.10000E+01 volume 0.24590E+04 ppm1 4.254 ppm2 1.406 OR { 1040} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HD2 )) ASSI { 1042} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HE2 )) 3.000 3.000 2.500 peak 1042 weight 0.10000E+01 volume 0.13330E+04 ppm1 4.249 ppm2 2.999 ASSI { 1046} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB3 )) 2.300 0.700 0.700 peak 1046 weight 0.10000E+01 volume 0.65400E+04 ppm1 1.202 ppm2 0.539 ASSI { 1048} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 37 and name HD3 )) 2.800 1.000 1.000 peak 1048 weight 0.10000E+01 volume 0.20820E+04 ppm1 0.547 ppm2 3.413 ASSI { 1049} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 37 and name HD2 )) 2.700 0.900 0.900 peak 1049 weight 0.10000E+01 volume 0.22460E+04 ppm1 0.547 ppm2 3.698 ASSI { 1052} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HD3 )) 2.800 2.800 2.700 peak 1052 weight 0.10000E+01 volume 0.18030E+04 ppm1 1.210 ppm2 3.413 ASSI { 1055} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG3 )) 2.700 0.900 0.900 peak 1055 weight 0.10000E+01 volume 0.24050E+04 ppm1 1.210 ppm2 1.398 OR { 1055} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) OR { 1055} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HD3 )) ASSI { 1057} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HG2 )) 2.800 1.000 1.000 peak 1057 weight 0.10000E+01 volume 0.19050E+04 ppm1 0.547 ppm2 1.398 OR { 1057} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HG3 )) OR { 1057} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HD3 )) ASSI { 1058} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 37 and name HG3 )) 2.800 2.800 2.700 peak 1058 weight 0.10000E+01 volume 0.20480E+04 ppm1 0.547 ppm2 1.455 ASSI { 1060} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HD2 )) 2.700 2.700 2.800 peak 1060 weight 0.10000E+01 volume 0.24860E+04 ppm1 4.374 ppm2 3.710 ASSI { 1061} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.000 0.500 0.500 peak 1061 weight 0.10000E+01 volume 0.16820E+05 ppm1 4.374 ppm2 2.308 ASSI { 1063} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB3 )) 2.100 0.600 0.600 peak 1063 weight 0.10000E+01 volume 0.10960E+05 ppm1 4.372 ppm2 2.017 ASSI { 1066} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HD3 )) 2.700 0.900 0.900 peak 1066 weight 0.10000E+01 volume 0.24710E+04 ppm1 2.311 ppm2 3.413 ASSI { 1067} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HD3 )) 2.800 2.800 2.700 peak 1067 weight 0.10000E+01 volume 0.20130E+04 ppm1 2.018 ppm2 3.408 ASSI { 1068} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HD2 )) 2.600 2.600 2.900 peak 1068 weight 0.10000E+01 volume 0.34340E+04 ppm1 2.311 ppm2 3.709 ASSI { 1069} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HD2 )) 2.700 2.700 2.800 peak 1069 weight 0.10000E+01 volume 0.26260E+04 ppm1 2.018 ppm2 3.699 ASSI { 1073} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 36 and name HA )) 2.200 0.600 0.600 peak 1073 weight 0.10000E+01 volume 0.78620E+04 ppm1 3.396 ppm2 4.240 ASSI { 1076} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HA )) 2.800 2.800 2.700 peak 1076 weight 0.10000E+01 volume 0.21950E+04 ppm1 3.396 ppm2 4.372 ASSI { 1081} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HG3 )) 3.000 1.100 1.100 peak 1081 weight 0.10000E+01 volume 0.14210E+04 ppm1 3.409 ppm2 1.471 ASSI { 1082} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 70 and name HG2 )) 2.500 0.800 0.800 peak 1082 weight 0.10000E+01 volume 0.42660E+04 ppm1 3.409 ppm2 1.905 ASSI { 1083} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 70 and name HG3 )) 2.700 0.900 0.900 peak 1083 weight 0.10000E+01 volume 0.24280E+04 ppm1 3.409 ppm2 1.683 ASSI { 1087} (( segid " " and resid 37 and name HD2 )) ( segid " " and resid 39 and name HG2%) 2.900 2.900 2.600 peak 1087 weight 0.10000E+01 volume 0.15440E+04 ppm1 3.710 ppm2 0.551 ASSI { 1088} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 68 and name HG2 )) 2.700 0.900 0.900 peak 1088 weight 0.10000E+01 volume 0.22580E+04 ppm1 3.408 ppm2 1.282 ASSI { 1092} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 68 and name HB2 )) 2.900 2.900 2.600 peak 1092 weight 0.10000E+01 volume 0.15100E+04 ppm1 3.698 ppm2 1.547 ASSI { 1094} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 36 and name HB2 )) 2.900 1.100 1.100 peak 1094 weight 0.10000E+01 volume 0.15840E+04 ppm1 3.696 ppm2 1.209 ASSI { 1096} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 68 and name HB2 )) 2.900 1.100 1.100 peak 1096 weight 0.10000E+01 volume 0.17390E+04 ppm1 3.416 ppm2 1.544 ASSI { 1099} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB3 )) 2.100 0.600 0.600 peak 1099 weight 0.10000E+01 volume 0.11460E+05 ppm1 4.591 ppm2 2.825 ASSI { 1100} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD% ) 2.400 2.400 3.100 peak 1100 weight 0.10000E+01 volume 0.46410E+04 ppm1 4.591 ppm2 6.910 ASSI { 1101} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HG2%) 1.900 0.500 0.500 peak 1101 weight 0.10000E+01 volume 0.20310E+05 ppm1 4.461 ppm2 0.535 ASSI { 1102} (( segid " " and resid 39 and name HA )) ( segid " " and resid 114 and name HD2%) 2.300 0.700 0.700 peak 1102 weight 0.10000E+01 volume 0.63230E+04 ppm1 4.461 ppm2 0.947 ASSI { 1104} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB )) 2.000 2.000 3.500 peak 1104 weight 0.10000E+01 volume 0.16750E+05 ppm1 4.461 ppm2 3.765 ASSI { 1105} (( segid " " and resid 39 and name HA )) ( segid " " and resid 38 and name HD% ) 2.800 2.800 2.700 peak 1105 weight 0.10000E+01 volume 0.18520E+04 ppm1 4.461 ppm2 6.916 ASSI { 1108} (( segid " " and resid 39 and name HB )) ( segid " " and resid 43 and name HD% ) 2.600 0.800 0.800 peak 1108 weight 0.10000E+01 volume 0.28830E+04 ppm1 3.769 ppm2 7.200 ASSI { 1109} (( segid " " and resid 39 and name HB )) (( segid " " and resid 43 and name HB2 )) 2.600 0.800 0.800 peak 1109 weight 0.10000E+01 volume 0.34300E+04 ppm1 3.769 ppm2 3.196 ASSI { 1110} (( segid " " and resid 39 and name HB )) (( segid " " and resid 43 and name HB3 )) 2.700 0.900 0.900 peak 1110 weight 0.10000E+01 volume 0.22780E+04 ppm1 3.769 ppm2 2.940 ASSI { 1111} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HG2%) 2.000 0.500 0.500 peak 1111 weight 0.10000E+01 volume 0.15770E+05 ppm1 3.766 ppm2 0.535 ASSI { 1112} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.300 0.700 0.700 peak 1112 weight 0.10000E+01 volume 0.71690E+04 ppm1 4.780 ppm2 3.704 ASSI { 1114} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB3 )) 2.400 0.700 0.700 peak 1114 weight 0.10000E+01 volume 0.52540E+04 ppm1 4.780 ppm2 3.274 ASSI { 1116} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB3 )) 1.800 1.800 3.700 peak 1116 weight 0.10000E+01 volume 0.26900E+05 ppm1 4.224 ppm2 2.157 OR { 1116} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) ASSI { 1120} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HG2 )) 1.500 0.300 0.700 peak 1120 weight 0.10000E+01 volume 0.72350E+05 ppm1 2.143 ppm2 2.396 OR { 1120} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HG3 )) OR { 1120} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HG3 )) ASSI { 1125} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB3 )) 2.100 2.100 3.400 peak 1125 weight 0.10000E+01 volume 0.10990E+05 ppm1 4.636 ppm2 2.623 ASSI { 1128} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.200 0.600 0.600 peak 1128 weight 0.10000E+01 volume 0.81120E+04 ppm1 2.944 ppm2 4.651 ASSI { 1130} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 1130 weight 0.10000E+01 volume 0.67000E+04 ppm1 4.617 ppm2 3.198 ASSI { 1131} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB3 )) 2.400 0.700 0.700 peak 1131 weight 0.10000E+01 volume 0.48340E+04 ppm1 4.617 ppm2 2.942 ASSI { 1132} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD% ) 2.400 0.700 0.700 peak 1132 weight 0.10000E+01 volume 0.54870E+04 ppm1 4.615 ppm2 7.195 ASSI { 1133} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HE% ) 2.900 2.900 2.600 peak 1133 weight 0.10000E+01 volume 0.16340E+04 ppm1 4.615 ppm2 6.532 ASSI { 1138} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD% ) 2.400 0.700 0.700 peak 1138 weight 0.10000E+01 volume 0.51260E+04 ppm1 3.201 ppm2 7.195 ASSI { 1142} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB3 )) 2.100 0.600 0.600 peak 1142 weight 0.10000E+01 volume 0.10250E+05 ppm1 3.065 ppm2 2.278 ASSI { 1143} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) 2.200 0.600 0.600 peak 1143 weight 0.10000E+01 volume 0.83390E+04 ppm1 4.785 ppm2 2.533 ASSI { 1144} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB3 )) 2.300 0.700 0.700 peak 1144 weight 0.10000E+01 volume 0.59370E+04 ppm1 4.785 ppm2 2.403 ASSI { 1146} (( segid " " and resid 44 and name HA )) ( segid " " and resid 43 and name HD% ) 2.800 2.800 2.700 peak 1146 weight 0.10000E+01 volume 0.18230E+04 ppm1 4.785 ppm2 7.201 ASSI { 1148} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HB3 )) 2.000 0.500 0.500 peak 1148 weight 0.10000E+01 volume 0.15340E+05 ppm1 2.530 ppm2 2.394 ASSI { 1149} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 55 and name HB3 )) 2.900 1.100 1.100 peak 1149 weight 0.10000E+01 volume 0.16720E+04 ppm1 2.530 ppm2 1.805 OR { 1149} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 55 and name HB2 )) ASSI { 1150} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 55 and name HD3 )) 2.700 0.900 0.900 peak 1150 weight 0.10000E+01 volume 0.24170E+04 ppm1 2.530 ppm2 1.641 OR { 1150} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 55 and name HD2 )) ASSI { 1153} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 55 and name HB3 )) 2.800 1.000 1.000 peak 1153 weight 0.10000E+01 volume 0.19420E+04 ppm1 2.399 ppm2 1.807 OR { 1153} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 55 and name HB2 )) ASSI { 1154} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 55 and name HD2 )) 2.600 0.800 0.800 peak 1154 weight 0.10000E+01 volume 0.33650E+04 ppm1 2.399 ppm2 1.649 OR { 1154} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 55 and name HD3 )) ASSI { 1158} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HG1%) 2.000 0.500 0.500 peak 1158 weight 0.10000E+01 volume 0.13750E+05 ppm1 4.669 ppm2 0.855 ASSI { 1159} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HG2%) 2.000 0.500 0.500 peak 1159 weight 0.10000E+01 volume 0.13400E+05 ppm1 4.669 ppm2 0.787 ASSI { 1163} (( segid " " and resid 45 and name HA )) ( segid " " and resid 54 and name HG1%) 2.500 0.800 0.800 peak 1163 weight 0.10000E+01 volume 0.38280E+04 ppm1 4.672 ppm2 0.441 ASSI { 1165} (( segid " " and resid 45 and name HB )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 1165 weight 0.10000E+01 volume 0.40840E+04 ppm1 1.916 ppm2 4.667 ASSI { 1168} (( segid " " and resid 45 and name HB )) ( segid " " and resid 45 and name HG2%) 2.000 0.500 0.500 peak 1168 weight 0.10000E+01 volume 0.16520E+05 ppm1 1.917 ppm2 0.789 ASSI { 1169} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 1.800 1.800 3.700 peak 1169 weight 0.10000E+01 volume 0.29770E+05 ppm1 4.862 ppm2 3.797 OR { 1169} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB3 )) ASSI { 1172} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 53 and name HB )) 2.000 0.500 0.500 peak 1172 weight 0.10000E+01 volume 0.16450E+05 ppm1 3.800 ppm2 3.996 ASSI { 1174} (( segid " " and resid 46 and name HB3 )) ( segid " " and resid 53 and name HG2%) 2.400 2.400 3.100 peak 1174 weight 0.10000E+01 volume 0.44250E+04 ppm1 3.800 ppm2 1.034 OR { 1174} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 53 and name HG2%) ASSI { 1176} (( segid " " and resid 47 and name HA )) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 1176 weight 0.10000E+01 volume 0.43510E+04 ppm1 5.951 ppm2 0.714 ASSI { 1177} (( segid " " and resid 47 and name HA )) ( segid " " and resid 51 and name HG1%) 2.900 1.100 1.100 peak 1177 weight 0.10000E+01 volume 0.16560E+04 ppm1 5.941 ppm2 0.873 ASSI { 1181} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 47 and name HD% ) 2.400 0.700 0.700 peak 1181 weight 0.10000E+01 volume 0.53910E+04 ppm1 3.082 ppm2 7.235 ASSI { 1182} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 47 and name HD% ) 2.400 0.700 0.700 peak 1182 weight 0.10000E+01 volume 0.52220E+04 ppm1 2.936 ppm2 7.242 ASSI { 1183} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 48 and name HA2 )) 1.800 0.400 0.400 peak 1183 weight 0.10000E+01 volume 0.25900E+05 ppm1 3.911 ppm2 3.775 ASSI { 1190} (( segid " " and resid 50 and name HA1 )) (( segid " " and resid 50 and name HA2 )) 1.800 0.400 0.400 peak 1190 weight 0.10000E+01 volume 0.31220E+05 ppm1 4.084 ppm2 3.515 ASSI { 1199} (( segid " " and resid 50 and name HA1 )) ( segid " " and resid 23 and name HD1%) 2.500 0.800 0.800 peak 1199 weight 0.10000E+01 volume 0.37490E+04 ppm1 4.087 ppm2 0.744 ASSI { 1205} (( segid " " and resid 51 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.700 0.900 0.900 peak 1205 weight 0.10000E+01 volume 0.22550E+04 ppm1 4.522 ppm2 2.909 ASSI { 1206} (( segid " " and resid 51 and name HA )) (( segid " " and resid 66 and name HB3 )) 2.600 0.800 0.800 peak 1206 weight 0.10000E+01 volume 0.30440E+04 ppm1 4.522 ppm2 2.545 ASSI { 1207} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB )) 2.500 0.800 0.800 peak 1207 weight 0.10000E+01 volume 0.34700E+04 ppm1 4.522 ppm2 2.097 ASSI { 1208} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HG1%) 2.100 2.100 3.400 peak 1208 weight 0.10000E+01 volume 0.10460E+05 ppm1 4.522 ppm2 0.874 ASSI { 1209} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HG2%) 2.100 0.600 0.600 peak 1209 weight 0.10000E+01 volume 0.12550E+05 ppm1 4.522 ppm2 0.824 ASSI { 1215} (( segid " " and resid 51 and name HB )) ( segid " " and resid 51 and name HG1%) 1.900 0.500 0.500 peak 1215 weight 0.10000E+01 volume 0.18790E+05 ppm1 2.104 ppm2 0.871 ASSI { 1216} (( segid " " and resid 51 and name HB )) ( segid " " and resid 51 and name HG2%) 2.000 0.500 0.500 peak 1216 weight 0.10000E+01 volume 0.17000E+05 ppm1 2.100 ppm2 0.819 ASSI { 1219} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 31 and name HA )) 2.400 2.400 3.100 peak 1219 weight 0.10000E+01 volume 0.45560E+04 ppm1 0.860 ppm2 4.237 ASSI { 1221} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 1221 weight 0.10000E+01 volume 0.27470E+04 ppm1 0.858 ppm2 3.279 ASSI { 1222} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 66 and name HB2 )) 2.300 0.700 0.700 peak 1222 weight 0.10000E+01 volume 0.63950E+04 ppm1 0.855 ppm2 2.906 ASSI { 1223} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 31 and name HG3 )) 2.500 0.800 0.800 peak 1223 weight 0.10000E+01 volume 0.43230E+04 ppm1 0.851 ppm2 2.301 ASSI { 1224} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 1.800 0.400 0.400 peak 1224 weight 0.10000E+01 volume 0.29680E+05 ppm1 0.864 ppm2 1.915 ASSI { 1226} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.600 0.800 0.800 peak 1226 weight 0.10000E+01 volume 0.33130E+04 ppm1 5.373 ppm2 1.922 ASSI { 1228} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB3 )) 2.400 0.700 0.700 peak 1228 weight 0.10000E+01 volume 0.46980E+04 ppm1 5.375 ppm2 1.529 ASSI { 1229} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HD1%) 2.200 0.600 0.600 peak 1229 weight 0.10000E+01 volume 0.94530E+04 ppm1 5.370 ppm2 0.984 ASSI { 1230} (( segid " " and resid 76 and name HA )) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 1230 weight 0.10000E+01 volume 0.80440E+04 ppm1 5.367 ppm2 5.255 ASSI { 1233} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 47 and name HD% ) 2.900 2.900 2.600 peak 1233 weight 0.10000E+01 volume 0.16260E+04 ppm1 2.121 ppm2 7.240 ASSI { 1234} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 47 and name HD% ) 2.600 0.800 0.800 peak 1234 weight 0.10000E+01 volume 0.28030E+04 ppm1 1.221 ppm2 7.246 ASSI { 1236} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 65 and name HB )) 2.800 1.000 1.000 peak 1236 weight 0.10000E+01 volume 0.19760E+04 ppm1 1.218 ppm2 1.762 ASSI { 1237} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 52 and name HD2%) 2.300 0.700 0.700 peak 1237 weight 0.10000E+01 volume 0.68930E+04 ppm1 1.228 ppm2 0.703 OR { 1237} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 52 and name HD1%) ASSI { 1239} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 65 and name HB )) 2.800 1.000 1.000 peak 1239 weight 0.10000E+01 volume 0.18880E+04 ppm1 2.123 ppm2 1.758 ASSI { 1240} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HB3 )) 2.400 0.700 0.700 peak 1240 weight 0.10000E+01 volume 0.51820E+04 ppm1 2.130 ppm2 1.232 ASSI { 1241} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 1241 weight 0.10000E+01 volume 0.45670E+04 ppm1 2.127 ppm2 0.710 OR { 1241} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD1%) ASSI { 1242} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 23 and name HD2%) 2.700 0.900 0.900 peak 1242 weight 0.10000E+01 volume 0.22720E+04 ppm1 2.134 ppm2 0.611 ASSI { 1243} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 23 and name HD2%) 2.900 1.100 1.100 peak 1243 weight 0.10000E+01 volume 0.15080E+04 ppm1 1.221 ppm2 0.617 ASSI { 1245} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB )) 2.400 0.700 0.700 peak 1245 weight 0.10000E+01 volume 0.48790E+04 ppm1 5.061 ppm2 3.994 ASSI { 1247} (( segid " " and resid 53 and name HA )) ( segid " " and resid 53 and name HG2%) 2.000 0.500 0.500 peak 1247 weight 0.10000E+01 volume 0.13900E+05 ppm1 5.061 ppm2 1.037 ASSI { 1250} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 56 and name HD1%) 2.100 0.600 0.600 peak 1250 weight 0.10000E+01 volume 0.12310E+05 ppm1 0.448 ppm2 1.063 ASSI { 1253} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 45 and name HG2%) 2.200 0.600 0.600 peak 1253 weight 0.10000E+01 volume 0.91000E+04 ppm1 0.448 ppm2 0.786 ASSI { 1258} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 45 and name HG1%) 2.100 0.600 0.600 peak 1258 weight 0.10000E+01 volume 0.97940E+04 ppm1 -0.195 ppm2 0.854 ASSI { 1259} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 45 and name HG2%) 2.100 2.100 3.400 peak 1259 weight 0.10000E+01 volume 0.10010E+05 ppm1 -0.195 ppm2 0.785 ASSI { 1262} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 54 and name HG1%) 1.800 0.400 0.400 peak 1262 weight 0.10000E+01 volume 0.28450E+05 ppm1 -0.195 ppm2 0.444 ASSI { 1265} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 1265 weight 0.10000E+01 volume 0.37210E+04 ppm1 1.803 ppm2 4.599 OR { 1265} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name HA )) ASSI { 1268} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 2.300 2.300 3.200 peak 1268 weight 0.10000E+01 volume 0.58890E+04 ppm1 4.589 ppm2 1.652 OR { 1268} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD3 )) ASSI { 1270} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 2.700 0.900 0.900 peak 1270 weight 0.10000E+01 volume 0.24620E+04 ppm1 4.586 ppm2 1.365 ASSI { 1271} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG3 )) 2.700 0.900 0.900 peak 1271 weight 0.10000E+01 volume 0.26630E+04 ppm1 4.586 ppm2 1.210 ASSI { 1272} (( segid " " and resid 55 and name HA )) ( segid " " and resid 62 and name HG2%) 2.200 0.600 0.600 peak 1272 weight 0.10000E+01 volume 0.78050E+04 ppm1 4.584 ppm2 0.913 ASSI { 1276} (( segid " " and resid 77 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 1276 weight 0.10000E+01 volume 0.20960E+04 ppm1 4.489 ppm2 2.123 ASSI { 1277} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 2.600 0.800 0.800 peak 1277 weight 0.10000E+01 volume 0.27630E+04 ppm1 4.443 ppm2 2.292 ASSI { 1278} (( segid " " and resid 56 and name HA )) ( segid " " and resid 43 and name HE% ) 2.700 2.700 2.800 peak 1278 weight 0.10000E+01 volume 0.26590E+04 ppm1 4.447 ppm2 6.545 ASSI { 1281} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG )) 2.700 0.900 0.900 peak 1281 weight 0.10000E+01 volume 0.26260E+04 ppm1 4.462 ppm2 1.915 ASSI { 1287} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HA )) 2.700 0.900 0.900 peak 1287 weight 0.10000E+01 volume 0.23120E+04 ppm1 1.538 ppm2 4.454 ASSI { 1290} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 57 and name HA2 )) 2.000 0.500 0.500 peak 1290 weight 0.10000E+01 volume 0.14720E+05 ppm1 4.434 ppm2 3.364 ASSI { 1295} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.000 0.500 0.500 peak 1295 weight 0.10000E+01 volume 0.16340E+05 ppm1 4.687 ppm2 2.743 OR { 1295} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB3 )) ASSI { 1301} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 1301 weight 0.10000E+01 volume 0.73730E+04 ppm1 2.937 ppm2 3.190 ASSI { 1303} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 1303 weight 0.10000E+01 volume 0.45330E+04 ppm1 4.204 ppm2 2.325 ASSI { 1304} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 1304 weight 0.10000E+01 volume 0.57120E+04 ppm1 4.204 ppm2 2.046 ASSI { 1305} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG )) 2.400 0.700 0.700 peak 1305 weight 0.10000E+01 volume 0.52060E+04 ppm1 4.211 ppm2 1.974 ASSI { 1306} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB3 )) 2.500 0.800 0.800 peak 1306 weight 0.10000E+01 volume 0.38680E+04 ppm1 4.204 ppm2 1.194 ASSI { 1307} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HD2%) 1.800 0.400 0.400 peak 1307 weight 0.10000E+01 volume 0.28220E+05 ppm1 4.211 ppm2 0.980 ASSI { 1308} (( segid " " and resid 120 and name HA )) ( segid " " and resid 123 and name HD1%) 2.600 0.800 0.800 peak 1308 weight 0.10000E+01 volume 0.29960E+04 ppm1 4.211 ppm2 0.759 ASSI { 1309} (( segid " " and resid 120 and name HA )) ( segid " " and resid 123 and name HD2%) 2.300 2.300 3.200 peak 1309 weight 0.10000E+01 volume 0.68290E+04 ppm1 4.204 ppm2 0.570 ASSI { 1311} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HG )) 2.300 0.700 0.700 peak 1311 weight 0.10000E+01 volume 0.68130E+04 ppm1 4.204 ppm2 0.317 ASSI { 1315} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HD1%) 2.500 2.500 3.000 peak 1315 weight 0.10000E+01 volume 0.36470E+04 ppm1 4.211 ppm2 1.058 ASSI { 1317} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 61 and name HA2 )) 2.100 0.600 0.600 peak 1317 weight 0.10000E+01 volume 0.10440E+05 ppm1 4.106 ppm2 3.747 ASSI { 1320} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 79 and name HB3 )) 2.900 1.100 1.100 peak 1320 weight 0.10000E+01 volume 0.17550E+04 ppm1 4.106 ppm2 2.095 ASSI { 1322} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 79 and name HB3 )) 3.000 1.100 1.100 peak 1322 weight 0.10000E+01 volume 0.13270E+04 ppm1 3.753 ppm2 2.099 ASSI { 1324} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 79 and name HG3 )) 3.000 1.100 1.100 peak 1324 weight 0.10000E+01 volume 0.14170E+04 ppm1 4.078 ppm2 1.515 ASSI { 1325} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 79 and name HG3 )) 3.000 1.100 1.100 peak 1325 weight 0.10000E+01 volume 0.12710E+04 ppm1 3.734 ppm2 1.511 ASSI { 1328} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) 1.800 0.400 0.400 peak 1328 weight 0.10000E+01 volume 0.23780E+05 ppm1 3.695 ppm2 0.915 ASSI { 1329} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HA )) 2.100 0.600 0.600 peak 1329 weight 0.10000E+01 volume 0.11360E+05 ppm1 0.916 ppm2 5.359 ASSI { 1331} ( segid " " and resid 114 and name HD1%) (( segid " " and resid 114 and name HA )) 2.000 0.500 0.500 peak 1331 weight 0.10000E+01 volume 0.17250E+05 ppm1 0.953 ppm2 4.377 ASSI { 1336} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HG )) 2.000 0.500 0.500 peak 1336 weight 0.10000E+01 volume 0.14680E+05 ppm1 0.977 ppm2 1.969 ASSI { 1338} ( segid " " and resid 60 and name HD2%) ( segid " " and resid 113 and name HB% ) 1.900 1.900 3.600 peak 1338 weight 0.10000E+01 volume 0.19020E+05 ppm1 0.977 ppm2 1.628 ASSI { 1341} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 53 and name HG2%) 1.700 1.700 3.800 peak 1341 weight 0.10000E+01 volume 0.39660E+05 ppm1 0.919 ppm2 1.045 ASSI { 1343} (( segid " " and resid 94 and name HA )) (( segid " " and resid 101 and name HA )) 2.100 0.600 0.600 peak 1343 weight 0.10000E+01 volume 0.10140E+05 ppm1 4.913 ppm2 5.615 ASSI { 1344} (( segid " " and resid 94 and name HA )) ( segid " " and resid 86 and name HE% ) 2.800 1.000 1.000 peak 1344 weight 0.10000E+01 volume 0.20930E+04 ppm1 4.910 ppm2 6.803 ASSI { 1345} (( segid " " and resid 94 and name HA )) ( segid " " and resid 86 and name HD% ) 2.500 0.800 0.800 peak 1345 weight 0.10000E+01 volume 0.42940E+04 ppm1 4.913 ppm2 6.999 ASSI { 1347} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB )) 2.600 0.800 0.800 peak 1347 weight 0.10000E+01 volume 0.34420E+04 ppm1 4.919 ppm2 1.771 ASSI { 1352} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HA )) 2.000 0.500 0.500 peak 1352 weight 0.10000E+01 volume 0.14680E+05 ppm1 1.123 ppm2 3.845 ASSI { 1357} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 43 and name HE% ) 2.800 2.800 2.700 peak 1357 weight 0.10000E+01 volume 0.20130E+04 ppm1 0.852 ppm2 6.541 ASSI { 1358} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 30 and name HB3 )) 2.600 0.800 0.800 peak 1358 weight 0.10000E+01 volume 0.29840E+04 ppm1 -0.188 ppm2 2.830 ASSI { 1361} (( segid " " and resid 58 and name HA1 )) (( segid " " and resid 58 and name HA2 )) 2.100 0.600 0.600 peak 1361 weight 0.10000E+01 volume 0.12230E+05 ppm1 3.556 ppm2 3.179 ASSI { 1363} (( segid " " and resid 58 and name HA1 )) ( segid " " and resid 40 and name HD% ) 3.000 1.100 1.100 peak 1363 weight 0.10000E+01 volume 0.14210E+04 ppm1 3.561 ppm2 7.428 ASSI { 1364} (( segid " " and resid 58 and name HA2 )) ( segid " " and resid 40 and name HD% ) 2.900 1.100 1.100 peak 1364 weight 0.10000E+01 volume 0.17310E+04 ppm1 3.170 ppm2 7.432 ASSI { 1371} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB2 )) 2.300 0.700 0.700 peak 1371 weight 0.10000E+01 volume 0.72370E+04 ppm1 1.066 ppm2 2.299 ASSI { 1372} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 56 and name HG )) 2.200 2.200 3.300 peak 1372 weight 0.10000E+01 volume 0.93850E+04 ppm1 1.063 ppm2 1.908 ASSI { 1375} ( segid " " and resid 60 and name HD2%) (( segid " " and resid 60 and name HB2 )) 2.500 0.800 0.800 peak 1375 weight 0.10000E+01 volume 0.43570E+04 ppm1 0.988 ppm2 2.304 ASSI { 1388} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HA )) 1.900 0.500 0.500 peak 1388 weight 0.10000E+01 volume 0.17930E+05 ppm1 0.894 ppm2 4.974 ASSI { 1393} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 76 and name HA )) 2.900 2.900 2.600 peak 1393 weight 0.10000E+01 volume 0.15040E+04 ppm1 0.745 ppm2 5.376 ASSI { 1394} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 65 and name HA )) 2.600 2.600 2.900 peak 1394 weight 0.10000E+01 volume 0.32170E+04 ppm1 0.745 ppm2 5.248 ASSI { 1395} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 63 and name HB2 )) 2.900 2.900 2.600 peak 1395 weight 0.10000E+01 volume 0.15800E+04 ppm1 0.745 ppm2 2.765 ASSI { 1396} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 63 and name HB3 )) 2.900 1.100 1.100 peak 1396 weight 0.10000E+01 volume 0.15040E+04 ppm1 0.745 ppm2 2.490 ASSI { 1397} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1397 weight 0.10000E+01 volume 0.19310E+04 ppm1 0.745 ppm2 2.107 ASSI { 1399} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 65 and name HB )) 2.200 0.600 0.600 peak 1399 weight 0.10000E+01 volume 0.74870E+04 ppm1 0.745 ppm2 1.756 ASSI { 1400} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 65 and name HG12)) 2.000 0.500 0.500 peak 1400 weight 0.10000E+01 volume 0.14680E+05 ppm1 0.745 ppm2 1.603 ASSI { 1404} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 23 and name HD2%) 2.200 2.200 3.300 peak 1404 weight 0.10000E+01 volume 0.87370E+04 ppm1 0.745 ppm2 0.607 ASSI { 1406} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 106 and name HD2%) 2.000 0.500 0.500 peak 1406 weight 0.10000E+01 volume 0.13670E+05 ppm1 0.745 ppm2 0.486 ASSI { 1407} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HG12)) 2.400 0.700 0.700 peak 1407 weight 0.10000E+01 volume 0.53020E+04 ppm1 1.764 ppm2 1.595 ASSI { 1408} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HG13)) 2.700 0.900 0.900 peak 1408 weight 0.10000E+01 volume 0.23680E+04 ppm1 1.761 ppm2 0.994 ASSI { 1409} (( segid " " and resid 65 and name HB )) ( segid " " and resid 65 and name HG2%) 2.100 0.600 0.600 peak 1409 weight 0.10000E+01 volume 0.10140E+05 ppm1 1.761 ppm2 0.686 ASSI { 1410} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 30 and name HZ )) 2.800 1.000 1.000 peak 1410 weight 0.10000E+01 volume 0.19960E+04 ppm1 0.745 ppm2 6.777 ASSI { 1411} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 30 and name HE% ) 2.400 0.700 0.700 peak 1411 weight 0.10000E+01 volume 0.50930E+04 ppm1 0.745 ppm2 6.992 ASSI { 1413} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 63 and name HA )) 2.900 2.900 2.600 peak 1413 weight 0.10000E+01 volume 0.15500E+04 ppm1 0.745 ppm2 4.983 ASSI { 1417} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 102 and name HD1%) 2.300 0.700 0.700 peak 1417 weight 0.10000E+01 volume 0.62910E+04 ppm1 0.750 ppm2 0.222 ASSI { 1418} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 102 and name HD2%) 2.500 2.500 3.000 peak 1418 weight 0.10000E+01 volume 0.38230E+04 ppm1 0.750 ppm2 0.152 ASSI { 1420} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 76 and name HA )) 2.500 0.800 0.800 peak 1420 weight 0.10000E+01 volume 0.37660E+04 ppm1 1.592 ppm2 5.383 ASSI { 1421} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 65 and name HA )) 2.600 0.800 0.800 peak 1421 weight 0.10000E+01 volume 0.30240E+04 ppm1 1.596 ppm2 5.251 ASSI { 1426} (( segid " " and resid 128 and name HD3 )) (( segid " " and resid 128 and name HB2 )) 2.200 0.600 0.600 peak 1426 weight 0.10000E+01 volume 0.78390E+04 ppm1 1.592 ppm2 1.784 OR { 1426} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HB2 )) ASSI { 1428} (( segid " " and resid 65 and name HG13)) (( segid " " and resid 65 and name HG12)) 2.200 0.600 0.600 peak 1428 weight 0.10000E+01 volume 0.92940E+04 ppm1 1.001 ppm2 1.603 ASSI { 1429} (( segid " " and resid 65 and name HG13)) ( segid " " and resid 65 and name HD1%) 2.000 0.500 0.500 peak 1429 weight 0.10000E+01 volume 0.13240E+05 ppm1 1.010 ppm2 0.752 ASSI { 1431} (( segid " " and resid 65 and name HG13)) ( segid " " and resid 106 and name HD2%) 2.900 1.100 1.100 peak 1431 weight 0.10000E+01 volume 0.17550E+04 ppm1 1.019 ppm2 0.494 ASSI { 1432} (( segid " " and resid 65 and name HG13)) ( segid " " and resid 26 and name HD2%) 3.200 1.300 1.300 peak 1432 weight 0.10000E+01 volume 0.88000E+03 ppm1 1.010 ppm2 0.431 ASSI { 1443} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 1443 weight 0.10000E+01 volume 0.76800E+04 ppm1 0.694 ppm2 5.251 ASSI { 1445} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 1445 weight 0.10000E+01 volume 0.25460E+04 ppm1 0.694 ppm2 5.369 ASSI { 1446} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 1446 weight 0.10000E+01 volume 0.17830E+04 ppm1 0.694 ppm2 2.126 ASSI { 1449} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HG12)) 2.400 0.700 0.700 peak 1449 weight 0.10000E+01 volume 0.53510E+04 ppm1 0.694 ppm2 1.589 ASSI { 1450} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HG13)) 2.200 0.600 0.600 peak 1450 weight 0.10000E+01 volume 0.85440E+04 ppm1 0.694 ppm2 0.996 ASSI { 1451} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 51 and name HG2%) 2.500 2.500 3.000 peak 1451 weight 0.10000E+01 volume 0.43340E+04 ppm1 0.694 ppm2 0.801 ASSI { 1453} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 23 and name HD2%) 1.900 0.500 0.500 peak 1453 weight 0.10000E+01 volume 0.23560E+05 ppm1 0.694 ppm2 0.605 ASSI { 1454} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 74 and name HG2%) 1.900 0.500 0.500 peak 1454 weight 0.10000E+01 volume 0.21530E+05 ppm1 0.694 ppm2 0.515 ASSI { 1455} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 26 and name HD2%) 2.400 0.700 0.700 peak 1455 weight 0.10000E+01 volume 0.47770E+04 ppm1 0.694 ppm2 0.438 ASSI { 1457} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 102 and name HD1%) 2.400 0.700 0.700 peak 1457 weight 0.10000E+01 volume 0.46920E+04 ppm1 0.694 ppm2 0.236 ASSI { 1458} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 102 and name HD2%) 2.500 0.800 0.800 peak 1458 weight 0.10000E+01 volume 0.37830E+04 ppm1 0.694 ppm2 0.173 ASSI { 1461} (( segid " " and resid 66 and name HA )) (( segid " " and resid 51 and name HA )) 2.200 0.600 0.600 peak 1461 weight 0.10000E+01 volume 0.74530E+04 ppm1 5.829 ppm2 4.523 ASSI { 1462} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.300 0.700 0.700 peak 1462 weight 0.10000E+01 volume 0.65960E+04 ppm1 5.829 ppm2 2.905 ASSI { 1463} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB3 )) 2.400 0.700 0.700 peak 1463 weight 0.10000E+01 volume 0.53990E+04 ppm1 5.829 ppm2 2.532 ASSI { 1465} (( segid " " and resid 66 and name HA )) ( segid " " and resid 51 and name HG2%) 2.500 0.800 0.800 peak 1465 weight 0.10000E+01 volume 0.35440E+04 ppm1 5.829 ppm2 0.828 ASSI { 1466} (( segid " " and resid 66 and name HA )) ( segid " " and resid 23 and name HD1%) 2.600 0.800 0.800 peak 1466 weight 0.10000E+01 volume 0.30720E+04 ppm1 5.829 ppm2 0.734 ASSI { 1467} (( segid " " and resid 66 and name HA )) ( segid " " and resid 23 and name HD2%) 2.700 0.900 0.900 peak 1467 weight 0.10000E+01 volume 0.22550E+04 ppm1 5.829 ppm2 0.613 ASSI { 1472} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 51 and name HG2%) 2.700 0.900 0.900 peak 1472 weight 0.10000E+01 volume 0.26790E+04 ppm1 2.563 ppm2 0.813 ASSI { 1473} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB3 )) 2.100 0.600 0.600 peak 1473 weight 0.10000E+01 volume 0.97480E+04 ppm1 2.921 ppm2 2.554 ASSI { 1479} (( segid " " and resid 67 and name HA )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 1479 weight 0.10000E+01 volume 0.42550E+04 ppm1 4.112 ppm2 4.672 ASSI { 1481} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HD3 )) 2.400 2.400 3.100 peak 1481 weight 0.10000E+01 volume 0.50210E+04 ppm1 4.116 ppm2 1.765 OR { 1481} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HD2 )) ASSI { 1489} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) 2.100 0.600 0.600 peak 1489 weight 0.10000E+01 volume 0.96460E+04 ppm1 1.930 ppm2 4.086 OR { 1489} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HA )) ASSI { 1490} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 2.700 0.900 0.900 peak 1490 weight 0.10000E+01 volume 0.24250E+04 ppm1 4.114 ppm2 1.488 OR { 1490} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG3 )) ASSI { 1491} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG3 )) 2.200 0.600 0.600 peak 1491 weight 0.10000E+01 volume 0.85780E+04 ppm1 1.922 ppm2 1.462 OR { 1491} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG3 )) OR { 1491} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) OR { 1491} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 67 and name HG2 )) ASSI { 1498} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 1498 weight 0.10000E+01 volume 0.59930E+04 ppm1 4.080 ppm2 2.018 ASSI { 1499} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HG )) 2.300 0.700 0.700 peak 1499 weight 0.10000E+01 volume 0.66280E+04 ppm1 4.072 ppm2 1.593 OR { 1499} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) ASSI { 1500} (( segid " " and resid 123 and name HA )) ( segid " " and resid 123 and name HD1%) 1.900 0.500 0.500 peak 1500 weight 0.10000E+01 volume 0.22170E+05 ppm1 4.079 ppm2 0.768 ASSI { 1501} (( segid " " and resid 123 and name HA )) ( segid " " and resid 123 and name HD2%) 2.400 2.400 3.100 peak 1501 weight 0.10000E+01 volume 0.52780E+04 ppm1 4.080 ppm2 0.568 ASSI { 1503} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB3 )) 2.500 0.800 0.800 peak 1503 weight 0.10000E+01 volume 0.38400E+04 ppm1 4.421 ppm2 0.605 ASSI { 1507} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HB2 )) 2.300 0.700 0.700 peak 1507 weight 0.10000E+01 volume 0.68290E+04 ppm1 0.624 ppm2 1.567 ASSI { 1508} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG2 )) 2.600 0.800 0.800 peak 1508 weight 0.10000E+01 volume 0.28190E+04 ppm1 4.425 ppm2 1.283 ASSI { 1509} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HD3 )) 2.700 2.700 2.800 peak 1509 weight 0.10000E+01 volume 0.24080E+04 ppm1 4.429 ppm2 3.391 ASSI { 1513} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HA )) 3.000 1.100 1.100 peak 1513 weight 0.10000E+01 volume 0.13590E+04 ppm1 0.936 ppm2 4.420 ASSI { 1514} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HB3 )) 2.600 0.800 0.800 peak 1514 weight 0.10000E+01 volume 0.31160E+04 ppm1 0.920 ppm2 0.620 ASSI { 1515} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB3 )) 2.600 0.800 0.800 peak 1515 weight 0.10000E+01 volume 0.31690E+04 ppm1 1.288 ppm2 0.620 ASSI { 1517} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.400 0.700 0.700 peak 1517 weight 0.10000E+01 volume 0.47770E+04 ppm1 4.417 ppm2 1.573 ASSI { 1518} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HG3 )) 2.200 0.600 0.600 peak 1518 weight 0.10000E+01 volume 0.79420E+04 ppm1 1.304 ppm2 0.929 ASSI { 1522} (( segid " " and resid 68 and name HG3 )) (( segid " " and resid 68 and name HB2 )) 2.600 0.800 0.800 peak 1522 weight 0.10000E+01 volume 0.28960E+04 ppm1 0.933 ppm2 1.559 ASSI { 1523} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB2 )) 2.500 0.800 0.800 peak 1523 weight 0.10000E+01 volume 0.36750E+04 ppm1 1.309 ppm2 1.563 ASSI { 1529} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 10 and name HB3 )) 2.600 2.600 2.900 peak 1529 weight 0.10000E+01 volume 0.32650E+04 ppm1 3.602 ppm2 2.117 OR { 1529} (( segid " " and resid 9 and name HD2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1532} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HD2 )) 2.300 0.700 0.700 peak 1532 weight 0.10000E+01 volume 0.69980E+04 ppm1 1.984 ppm2 3.660 OR { 1532} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name HD2 )) ASSI { 1536} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 77 and name HA )) 2.500 2.500 3.000 peak 1536 weight 0.10000E+01 volume 0.43680E+04 ppm1 1.971 ppm2 4.481 OR { 1536} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 77 and name HA )) ASSI { 1545} (( segid " " and resid 72 and name HA )) ( segid " " and resid 15 and name HE% ) 3.000 1.100 1.100 peak 1545 weight 0.10000E+01 volume 0.14290E+04 ppm1 2.122 ppm2 6.677 ASSI { 1546} (( segid " " and resid 72 and name HA )) ( segid " " and resid 15 and name HD% ) 2.900 1.100 1.100 peak 1546 weight 0.10000E+01 volume 0.16440E+04 ppm1 2.121 ppm2 7.170 ASSI { 1548} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 15 and name HD% ) 2.800 1.000 1.000 peak 1548 weight 0.10000E+01 volume 0.17830E+04 ppm1 1.675 ppm2 7.168 ASSI { 1549} (( segid " " and resid 112 and name HD2 )) (( segid " " and resid 112 and name HG2 )) 1.700 1.700 3.800 peak 1549 weight 0.10000E+01 volume 0.41840E+05 ppm1 1.701 ppm2 1.439 OR { 1549} (( segid " " and resid 112 and name HD2 )) (( segid " " and resid 112 and name HG3 )) ASSI { 1550} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD3 )) 2.300 0.700 0.700 peak 1550 weight 0.10000E+01 volume 0.57930E+04 ppm1 1.701 ppm2 1.263 OR { 1550} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) OR { 1550} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HD3 )) ASSI { 1551} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HG2 )) 2.700 0.900 0.900 peak 1551 weight 0.10000E+01 volume 0.23000E+04 ppm1 1.685 ppm2 0.865 OR { 1551} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HG3 )) OR { 1551} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HG3 )) ASSI { 1560} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 1560 weight 0.10000E+01 volume 0.86910E+04 ppm1 2.904 ppm2 1.209 ASSI { 1562} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB3 )) 2.700 0.900 0.900 peak 1562 weight 0.10000E+01 volume 0.22550E+04 ppm1 5.800 ppm2 2.328 ASSI { 1567} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 2.900 1.100 1.100 peak 1567 weight 0.10000E+01 volume 0.14480E+04 ppm1 2.332 ppm2 5.799 ASSI { 1569} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 75 and name HD1 )) 2.900 1.100 1.100 peak 1569 weight 0.10000E+01 volume 0.17250E+04 ppm1 2.327 ppm2 6.842 ASSI { 1570} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 75 and name HD1 )) 2.900 1.100 1.100 peak 1570 weight 0.10000E+01 volume 0.16880E+04 ppm1 1.990 ppm2 6.842 ASSI { 1571} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG3 )) 2.700 0.900 0.900 peak 1571 weight 0.10000E+01 volume 0.23880E+04 ppm1 1.998 ppm2 2.814 OR { 1571} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG2 )) ASSI { 1576} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 1576 weight 0.10000E+01 volume 0.28910E+04 ppm1 2.813 ppm2 2.313 OR { 1576} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 73 and name HB2 )) ASSI { 1582} (( segid " " and resid 74 and name HB )) ( segid " " and resid 74 and name HG2%) 2.200 0.600 0.600 peak 1582 weight 0.10000E+01 volume 0.78620E+04 ppm1 1.166 ppm2 0.509 ASSI { 1584} (( segid " " and resid 74 and name HB )) (( segid " " and resid 74 and name HG12)) 2.800 1.000 1.000 peak 1584 weight 0.10000E+01 volume 0.21240E+04 ppm1 1.168 ppm2 0.365 ASSI { 1587} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG12)) 2.600 0.800 0.800 peak 1587 weight 0.10000E+01 volume 0.29000E+04 ppm1 4.673 ppm2 0.362 ASSI { 1589} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HG13)) 2.200 0.600 0.600 peak 1589 weight 0.10000E+01 volume 0.96120E+04 ppm1 -0.435 ppm2 0.170 ASSI { 1590} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB )) 2.100 0.600 0.600 peak 1590 weight 0.10000E+01 volume 0.99460E+04 ppm1 -0.430 ppm2 1.144 ASSI { 1591} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HG12)) 2.300 0.700 0.700 peak 1591 weight 0.10000E+01 volume 0.63630E+04 ppm1 -0.426 ppm2 0.373 ASSI { 1592} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 74 and name HG2%) 1.900 0.500 0.500 peak 1592 weight 0.10000E+01 volume 0.17630E+05 ppm1 -0.435 ppm2 0.510 ASSI { 1593} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 65 and name HG2%) 2.600 0.800 0.800 peak 1593 weight 0.10000E+01 volume 0.34020E+04 ppm1 -0.443 ppm2 0.702 ASSI { 1598} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 67 and name HA )) 2.900 1.100 1.100 peak 1598 weight 0.10000E+01 volume 0.14760E+04 ppm1 -0.430 ppm2 4.121 ASSI { 1601} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 23 and name HG )) 2.700 0.900 0.900 peak 1601 weight 0.10000E+01 volume 0.25220E+04 ppm1 -0.434 ppm2 1.632 ASSI { 1602} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 93 and name HZ2 )) 2.800 1.000 1.000 peak 1602 weight 0.10000E+01 volume 0.19510E+04 ppm1 -0.434 ppm2 6.506 ASSI { 1603} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 15 and name HE% ) 2.900 2.900 2.600 peak 1603 weight 0.10000E+01 volume 0.15920E+04 ppm1 -0.437 ppm2 6.651 ASSI { 1605} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 93 and name HE3 )) 2.900 1.100 1.100 peak 1605 weight 0.10000E+01 volume 0.15880E+04 ppm1 -0.427 ppm2 7.619 OR { 1605} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 93 and name HD1 )) ASSI { 1609} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 74 and name HD1%) 2.500 0.800 0.800 peak 1609 weight 0.10000E+01 volume 0.38340E+04 ppm1 0.155 ppm2 -0.428 ASSI { 1619} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HG )) 2.000 0.500 0.500 peak 1619 weight 0.10000E+01 volume 0.13610E+05 ppm1 0.184 ppm2 0.327 ASSI { 1620} (( segid " " and resid 74 and name HG13)) (( segid " " and resid 74 and name HG12)) 2.000 0.500 0.500 peak 1620 weight 0.10000E+01 volume 0.12820E+05 ppm1 0.184 ppm2 0.364 ASSI { 1622} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 123 and name HD2%) 2.100 0.600 0.600 peak 1622 weight 0.10000E+01 volume 0.11840E+05 ppm1 0.193 ppm2 0.561 ASSI { 1625} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 106 and name HB3 )) 2.600 0.800 0.800 peak 1625 weight 0.10000E+01 volume 0.30480E+04 ppm1 0.193 ppm2 1.029 ASSI { 1628} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 106 and name HB2 )) 2.400 0.700 0.700 peak 1628 weight 0.10000E+01 volume 0.47150E+04 ppm1 0.193 ppm2 1.721 ASSI { 1629} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB2 )) 2.400 0.700 0.700 peak 1629 weight 0.10000E+01 volume 0.52620E+04 ppm1 0.189 ppm2 2.057 ASSI { 1630} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 103 and name HA )) 2.400 0.700 0.700 peak 1630 weight 0.10000E+01 volume 0.45730E+04 ppm1 0.184 ppm2 3.657 ASSI { 1632} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 29 and name HD% ) 2.700 0.900 0.900 peak 1632 weight 0.10000E+01 volume 0.24000E+04 ppm1 0.189 ppm2 6.490 ASSI { 1633} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 29 and name HE% ) 2.500 0.800 0.800 peak 1633 weight 0.10000E+01 volume 0.40390E+04 ppm1 0.184 ppm2 6.771 ASSI { 1634} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 29 and name HZ )) 2.800 2.800 2.700 peak 1634 weight 0.10000E+01 volume 0.18460E+04 ppm1 0.188 ppm2 6.868 ASSI { 1642} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 103 and name HE1 )) 2.800 2.800 2.700 peak 1642 weight 0.10000E+01 volume 0.20480E+04 ppm1 0.169 ppm2 7.496 ASSI { 1644} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 93 and name HB2 )) 2.700 0.900 0.900 peak 1644 weight 0.10000E+01 volume 0.22320E+04 ppm1 0.161 ppm2 3.428 ASSI { 1646} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 102 and name HA )) 2.700 2.700 2.800 peak 1646 weight 0.10000E+01 volume 0.23800E+04 ppm1 0.165 ppm2 3.540 ASSI { 1647} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 103 and name HA )) 2.900 2.900 2.600 peak 1647 weight 0.10000E+01 volume 0.15980E+04 ppm1 0.161 ppm2 3.656 ASSI { 1654} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 106 and name HD2%) 2.300 2.300 3.200 peak 1654 weight 0.10000E+01 volume 0.63310E+04 ppm1 0.188 ppm2 0.480 ASSI { 1656} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB3 )) 2.500 0.800 0.800 peak 1656 weight 0.10000E+01 volume 0.36410E+04 ppm1 0.185 ppm2 1.183 ASSI { 1659} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HB2 )) 2.400 0.700 0.700 peak 1659 weight 0.10000E+01 volume 0.47720E+04 ppm1 1.520 ppm2 1.928 ASSI { 1664} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 1664 weight 0.10000E+01 volume 0.25660E+04 ppm1 0.995 ppm2 4.832 OR { 1664} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 78 and name HA )) ASSI { 1665} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 65 and name HA )) 2.800 1.000 1.000 peak 1665 weight 0.10000E+01 volume 0.21500E+04 ppm1 0.985 ppm2 5.261 ASSI { 1666} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 1666 weight 0.10000E+01 volume 0.20990E+04 ppm1 0.990 ppm2 4.980 ASSI { 1667} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 1667 weight 0.10000E+01 volume 0.19620E+04 ppm1 0.995 ppm2 4.499 OR { 1667} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 77 and name HA )) ASSI { 1668} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 78 and name HB3 )) 2.500 0.800 0.800 peak 1668 weight 0.10000E+01 volume 0.42550E+04 ppm1 0.990 ppm2 3.858 ASSI { 1670} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 102 and name HA )) 2.800 2.800 2.700 peak 1670 weight 0.10000E+01 volume 0.18150E+04 ppm1 0.990 ppm2 3.530 OR { 1670} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 102 and name HA )) ASSI { 1674} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 84 and name HE3 )) 2.900 1.100 1.100 peak 1674 weight 0.10000E+01 volume 0.17250E+04 ppm1 0.990 ppm2 2.650 ASSI { 1679} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB3 )) 2.300 2.300 3.200 peak 1679 weight 0.10000E+01 volume 0.67080E+04 ppm1 5.604 ppm2 4.129 ASSI { 1681} (( segid " " and resid 101 and name HA )) (( segid " " and resid 94 and name HB )) 2.900 2.900 2.600 peak 1681 weight 0.10000E+01 volume 0.16600E+04 ppm1 5.605 ppm2 1.769 ASSI { 1682} (( segid " " and resid 101 and name HA )) ( segid " " and resid 94 and name HG1%) 2.300 0.700 0.700 peak 1682 weight 0.10000E+01 volume 0.65960E+04 ppm1 5.605 ppm2 0.803 ASSI { 1683} (( segid " " and resid 101 and name HA )) ( segid " " and resid 94 and name HG2%) 2.400 0.700 0.700 peak 1683 weight 0.10000E+01 volume 0.51340E+04 ppm1 5.605 ppm2 0.749 ASSI { 1684} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.300 0.700 0.700 peak 1684 weight 0.10000E+01 volume 0.63550E+04 ppm1 5.604 ppm2 4.695 ASSI { 1686} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HB3 )) 1.900 0.500 0.500 peak 1686 weight 0.10000E+01 volume 0.20730E+05 ppm1 4.686 ppm2 4.129 ASSI { 1691} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 94 and name HG1%) 2.500 0.800 0.800 peak 1691 weight 0.10000E+01 volume 0.40780E+04 ppm1 4.686 ppm2 0.794 ASSI { 1692} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 94 and name HG2%) 2.700 0.900 0.900 peak 1692 weight 0.10000E+01 volume 0.22750E+04 ppm1 4.686 ppm2 0.743 ASSI { 1693} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 94 and name HG1%) 2.400 2.400 3.100 peak 1693 weight 0.10000E+01 volume 0.50530E+04 ppm1 4.136 ppm2 0.794 ASSI { 1694} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 94 and name HG2%) 2.600 2.600 2.900 peak 1694 weight 0.10000E+01 volume 0.30640E+04 ppm1 4.132 ppm2 0.749 ASSI { 1700} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HD1%) 2.000 0.500 0.500 peak 1700 weight 0.10000E+01 volume 0.16410E+05 ppm1 4.226 ppm2 0.957 ASSI { 1709} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HB3 )) 2.300 0.700 0.700 peak 1709 weight 0.10000E+01 volume 0.59210E+04 ppm1 2.167 ppm2 1.928 ASSI { 1710} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 105 and name HD1%) 2.300 0.700 0.700 peak 1710 weight 0.10000E+01 volume 0.70330E+04 ppm1 2.167 ppm2 0.957 ASSI { 1711} (( segid " " and resid 105 and name HB3 )) ( segid " " and resid 105 and name HD1%) 2.300 2.300 3.200 peak 1711 weight 0.10000E+01 volume 0.72710E+04 ppm1 1.942 ppm2 0.957 ASSI { 1712} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB3 )) 2.400 0.700 0.700 peak 1712 weight 0.10000E+01 volume 0.53020E+04 ppm1 4.234 ppm2 1.928 ASSI { 1713} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.100 0.600 0.600 peak 1713 weight 0.10000E+01 volume 0.99460E+04 ppm1 4.233 ppm2 2.169 ASSI { 1716} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 105 and name HG )) 1.900 0.500 0.500 peak 1716 weight 0.10000E+01 volume 0.22750E+05 ppm1 0.962 ppm2 1.727 OR { 1716} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HG )) ASSI { 1717} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 105 and name HB3 )) 2.300 0.700 0.700 peak 1717 weight 0.10000E+01 volume 0.71230E+04 ppm1 0.951 ppm2 1.934 ASSI { 1718} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HB2 )) 2.100 0.600 0.600 peak 1718 weight 0.10000E+01 volume 0.12020E+05 ppm1 0.953 ppm2 2.177 OR { 1718} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 105 and name HB2 )) ASSI { 1719} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 109 and name HB2 )) 2.400 2.400 3.100 peak 1719 weight 0.10000E+01 volume 0.48340E+04 ppm1 0.953 ppm2 2.332 OR { 1719} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 109 and name HB2 )) ASSI { 1720} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 84 and name HE3 )) 2.300 0.700 0.700 peak 1720 weight 0.10000E+01 volume 0.62340E+04 ppm1 0.953 ppm2 2.643 OR { 1720} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 84 and name HE3 )) ASSI { 1721} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 84 and name HE2 )) 2.400 2.400 3.100 peak 1721 weight 0.10000E+01 volume 0.54950E+04 ppm1 0.953 ppm2 2.765 OR { 1721} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 84 and name HE2 )) ASSI { 1722} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 109 and name HG3 )) 2.400 0.700 0.700 peak 1722 weight 0.10000E+01 volume 0.56080E+04 ppm1 0.953 ppm2 2.976 OR { 1722} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 109 and name HG2 )) OR { 1722} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 109 and name HG3 )) ASSI { 1725} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 109 and name HA )) 2.800 2.800 2.700 peak 1725 weight 0.10000E+01 volume 0.20480E+04 ppm1 0.948 ppm2 4.089 OR { 1725} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 109 and name HA )) ASSI { 1728} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 29 and name HZ )) 2.300 0.700 0.700 peak 1728 weight 0.10000E+01 volume 0.57680E+04 ppm1 0.412 ppm2 6.870 ASSI { 1731} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 123 and name HG )) 2.100 0.600 0.600 peak 1731 weight 0.10000E+01 volume 0.10510E+05 ppm1 0.568 ppm2 1.581 OR { 1731} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 123 and name HB3 )) ASSI { 1736} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 29 and name HZ )) 2.500 0.800 0.800 peak 1736 weight 0.10000E+01 volume 0.34660E+04 ppm1 0.700 ppm2 6.872 ASSI { 1737} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HB2 )) 2.300 0.700 0.700 peak 1737 weight 0.10000E+01 volume 0.58890E+04 ppm1 1.014 ppm2 1.711 ASSI { 1740} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HG )) 2.700 0.900 0.900 peak 1740 weight 0.10000E+01 volume 0.26950E+04 ppm1 1.014 ppm2 0.884 ASSI { 1741} (( segid " " and resid 106 and name HB3 )) ( segid " " and resid 106 and name HD1%) 2.600 0.800 0.800 peak 1741 weight 0.10000E+01 volume 0.28030E+04 ppm1 1.018 ppm2 0.545 ASSI { 1742} (( segid " " and resid 106 and name HB3 )) ( segid " " and resid 106 and name HD2%) 2.500 0.800 0.800 peak 1742 weight 0.10000E+01 volume 0.37430E+04 ppm1 1.014 ppm2 0.482 ASSI { 1745} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HG )) 2.900 1.100 1.100 peak 1745 weight 0.10000E+01 volume 0.16460E+04 ppm1 1.730 ppm2 0.884 ASSI { 1746} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 106 and name HD1%) 2.600 0.800 0.800 peak 1746 weight 0.10000E+01 volume 0.33860E+04 ppm1 1.720 ppm2 0.550 ASSI { 1747} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 106 and name HD2%) 2.500 0.800 0.800 peak 1747 weight 0.10000E+01 volume 0.37490E+04 ppm1 1.724 ppm2 0.484 ASSI { 1749} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB2 )) 2.400 0.700 0.700 peak 1749 weight 0.10000E+01 volume 0.56320E+04 ppm1 3.826 ppm2 1.702 ASSI { 1751} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HD1%) 2.000 0.500 0.500 peak 1751 weight 0.10000E+01 volume 0.14820E+05 ppm1 3.813 ppm2 0.555 ASSI { 1752} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HD2%) 2.600 0.800 0.800 peak 1752 weight 0.10000E+01 volume 0.34340E+04 ppm1 3.813 ppm2 0.489 ASSI { 1781} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HB2 )) 2.300 0.700 0.700 peak 1781 weight 0.10000E+01 volume 0.59290E+04 ppm1 0.399 ppm2 1.431 ASSI { 1787} (( segid " " and resid 102 and name HB3 )) ( segid " " and resid 102 and name HD2%) 2.500 0.800 0.800 peak 1787 weight 0.10000E+01 volume 0.40100E+04 ppm1 0.399 ppm2 0.165 ASSI { 1789} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 2.400 0.700 0.700 peak 1789 weight 0.10000E+01 volume 0.45050E+04 ppm1 3.545 ppm2 1.422 ASSI { 1791} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HG )) 2.600 0.800 0.800 peak 1791 weight 0.10000E+01 volume 0.31890E+04 ppm1 3.545 ppm2 0.723 ASSI { 1792} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.400 0.700 0.700 peak 1792 weight 0.10000E+01 volume 0.45160E+04 ppm1 3.545 ppm2 0.386 ASSI { 1793} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HD1%) 2.100 0.600 0.600 peak 1793 weight 0.10000E+01 volume 0.12100E+05 ppm1 3.545 ppm2 0.225 ASSI { 1795} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HG )) 2.700 0.900 0.900 peak 1795 weight 0.10000E+01 volume 0.25140E+04 ppm1 0.399 ppm2 0.728 ASSI { 1806} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 26 and name HD2%) 2.400 0.700 0.700 peak 1806 weight 0.10000E+01 volume 0.55350E+04 ppm1 0.159 ppm2 0.428 ASSI { 1807} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 102 and name HG )) 2.100 0.600 0.600 peak 1807 weight 0.10000E+01 volume 0.10540E+05 ppm1 0.159 ppm2 0.734 ASSI { 1808} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 74 and name HB )) 2.600 2.600 2.900 peak 1808 weight 0.10000E+01 volume 0.29080E+04 ppm1 0.162 ppm2 1.176 ASSI { 1809} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 102 and name HB2 )) 2.400 0.700 0.700 peak 1809 weight 0.10000E+01 volume 0.53260E+04 ppm1 0.159 ppm2 1.428 ASSI { 1810} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 22 and name HG2%) 2.400 0.700 0.700 peak 1810 weight 0.10000E+01 volume 0.53830E+04 ppm1 0.162 ppm2 1.135 ASSI { 1812} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 103 and name HD2 )) 2.500 2.500 3.000 peak 1812 weight 0.10000E+01 volume 0.42600E+04 ppm1 0.232 ppm2 6.987 ASSI { 1813} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 86 and name HE% ) 2.500 0.800 0.800 peak 1813 weight 0.10000E+01 volume 0.39020E+04 ppm1 0.232 ppm2 6.799 ASSI { 1815} (( segid " " and resid 102 and name HA )) ( segid " " and resid 86 and name HE% ) 2.700 0.900 0.900 peak 1815 weight 0.10000E+01 volume 0.27390E+04 ppm1 3.551 ppm2 6.800 ASSI { 1818} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 1818 weight 0.10000E+01 volume 0.35440E+04 ppm1 0.233 ppm2 1.419 ASSI { 1820} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HG )) 2.000 0.500 0.500 peak 1820 weight 0.10000E+01 volume 0.13530E+05 ppm1 0.233 ppm2 0.725 ASSI { 1821} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HB3 )) 2.400 0.700 0.700 peak 1821 weight 0.10000E+01 volume 0.49810E+04 ppm1 0.233 ppm2 0.384 ASSI { 1823} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 102 and name HD2%) 1.700 0.400 0.500 peak 1823 weight 0.10000E+01 volume 0.34580E+05 ppm1 0.233 ppm2 0.178 ASSI { 1825} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 76 and name HG )) 2.800 1.000 1.000 peak 1825 weight 0.10000E+01 volume 0.20730E+04 ppm1 0.229 ppm2 1.598 ASSI { 1826} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 76 and name HB3 )) 2.800 1.000 1.000 peak 1826 weight 0.10000E+01 volume 0.21380E+04 ppm1 0.224 ppm2 1.512 ASSI { 1830} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 106 and name HD2%) 2.100 0.600 0.600 peak 1830 weight 0.10000E+01 volume 0.10640E+05 ppm1 0.219 ppm2 0.496 ASSI { 1833} (( segid " " and resid 102 and name HG )) ( segid " " and resid 26 and name HD2%) 2.400 2.400 3.100 peak 1833 weight 0.10000E+01 volume 0.44250E+04 ppm1 0.741 ppm2 0.430 ASSI { 1837} ( segid " " and resid 23 and name HD1%) ( segid " " and resid 74 and name HD1%) 2.400 2.400 3.100 peak 1837 weight 0.10000E+01 volume 0.43970E+04 ppm1 0.735 ppm2 -0.438 ASSI { 1838} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 23 and name HG )) 2.200 0.600 0.600 peak 1838 weight 0.10000E+01 volume 0.94530E+04 ppm1 0.735 ppm2 1.635 ASSI { 1845} ( segid " " and resid 23 and name HD1%) ( segid " " and resid 47 and name HD% ) 2.400 2.400 3.100 peak 1845 weight 0.10000E+01 volume 0.45390E+04 ppm1 0.738 ppm2 7.248 ASSI { 1847} ( segid " " and resid 23 and name HD1%) ( segid " " and resid 47 and name HE% ) 2.900 1.100 1.100 peak 1847 weight 0.10000E+01 volume 0.17470E+04 ppm1 0.735 ppm2 7.333 ASSI { 1849} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.500 0.800 0.800 peak 1849 weight 0.10000E+01 volume 0.38400E+04 ppm1 5.775 ppm2 3.436 ASSI { 1850} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB3 )) 2.600 0.800 0.800 peak 1850 weight 0.10000E+01 volume 0.32930E+04 ppm1 5.776 ppm2 3.214 ASSI { 1851} (( segid " " and resid 93 and name HA )) (( segid " " and resid 86 and name HB3 )) 2.700 2.700 2.800 peak 1851 weight 0.10000E+01 volume 0.23460E+04 ppm1 5.775 ppm2 3.133 ASSI { 1852} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HE3 )) 2.700 0.900 0.900 peak 1852 weight 0.10000E+01 volume 0.27390E+04 ppm1 5.774 ppm2 7.621 ASSI { 1853} (( segid " " and resid 93 and name HA )) ( segid " " and resid 89 and name HG2%) 2.800 1.000 1.000 peak 1853 weight 0.10000E+01 volume 0.21210E+04 ppm1 5.776 ppm2 1.187 ASSI { 1854} (( segid " " and resid 93 and name HA )) ( segid " " and resid 94 and name HG1%) 2.900 1.100 1.100 peak 1854 weight 0.10000E+01 volume 0.14720E+04 ppm1 5.776 ppm2 0.802 ASSI { 1856} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB3 )) 2.800 1.000 1.000 peak 1856 weight 0.10000E+01 volume 0.19710E+04 ppm1 4.730 ppm2 2.375 ASSI { 1869} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 23 and name HG )) 2.200 0.600 0.600 peak 1869 weight 0.10000E+01 volume 0.91690E+04 ppm1 0.604 ppm2 1.618 ASSI { 1871} (( segid " " and resid 23 and name HB3 )) ( segid " " and resid 47 and name HD% ) 2.700 0.900 0.900 peak 1871 weight 0.10000E+01 volume 0.25300E+04 ppm1 1.419 ppm2 7.244 ASSI { 1872} (( segid " " and resid 23 and name HB3 )) ( segid " " and resid 47 and name HE% ) 2.900 1.100 1.100 peak 1872 weight 0.10000E+01 volume 0.15100E+04 ppm1 1.419 ppm2 7.327 ASSI { 1873} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 47 and name HE% ) 2.900 1.100 1.100 peak 1873 weight 0.10000E+01 volume 0.15080E+04 ppm1 1.997 ppm2 7.313 ASSI { 1880} (( segid " " and resid 45 and name HA )) ( segid " " and resid 54 and name HG2%) 2.500 0.800 0.800 peak 1880 weight 0.10000E+01 volume 0.37550E+04 ppm1 4.672 ppm2 -0.192 ASSI { 1884} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 43 and name HE% ) 2.500 0.800 0.800 peak 1884 weight 0.10000E+01 volume 0.41690E+04 ppm1 0.544 ppm2 6.525 ASSI { 1887} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 63 and name HE% ) 2.100 0.600 0.600 peak 1887 weight 0.10000E+01 volume 0.11460E+05 ppm1 1.066 ppm2 6.763 ASSI { 1890} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 18 and name HD2%) 1.900 0.500 0.500 peak 1890 weight 0.10000E+01 volume 0.19040E+05 ppm1 -0.150 ppm2 -0.599 ASSI { 1892} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HG )) 2.200 0.600 0.600 peak 1892 weight 0.10000E+01 volume 0.80780E+04 ppm1 -0.150 ppm2 1.209 ASSI { 1893} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HB2 )) 2.400 0.700 0.700 peak 1893 weight 0.10000E+01 volume 0.46810E+04 ppm1 -0.150 ppm2 1.253 ASSI { 1894} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 14 and name HG2%) 2.600 0.800 0.800 peak 1894 weight 0.10000E+01 volume 0.33860E+04 ppm1 -0.148 ppm2 1.138 ASSI { 1895} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 17 and name HB3 )) 2.600 0.800 0.800 peak 1895 weight 0.10000E+01 volume 0.33050E+04 ppm1 -0.150 ppm2 1.863 OR { 1895} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 17 and name HB2 )) ASSI { 1902} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 88 and name HH2 )) 2.700 0.900 0.900 peak 1902 weight 0.10000E+01 volume 0.22460E+04 ppm1 -0.150 ppm2 6.630 ASSI { 1903} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 93 and name HZ2 )) 3.000 3.000 2.500 peak 1903 weight 0.10000E+01 volume 0.13930E+04 ppm1 -0.164 ppm2 6.501 ASSI { 1907} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 95 and name HD% ) 2.500 0.800 0.800 peak 1907 weight 0.10000E+01 volume 0.40960E+04 ppm1 3.671 ppm2 7.680 ASSI { 1908} (( segid " " and resid 95 and name HB3 )) ( segid " " and resid 95 and name HD% ) 2.400 0.700 0.700 peak 1908 weight 0.10000E+01 volume 0.47660E+04 ppm1 2.564 ppm2 7.680 ASSI { 1914} (( segid " " and resid 91 and name HA )) (( segid " " and resid 88 and name HH2 )) 2.600 0.800 0.800 peak 1914 weight 0.10000E+01 volume 0.31690E+04 ppm1 4.171 ppm2 6.618 ASSI { 1915} (( segid " " and resid 91 and name HA )) (( segid " " and resid 88 and name HZ2 )) 2.600 0.800 0.800 peak 1915 weight 0.10000E+01 volume 0.31200E+04 ppm1 4.163 ppm2 6.935 ASSI { 1920} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HG )) 2.400 0.700 0.700 peak 1920 weight 0.10000E+01 volume 0.46750E+04 ppm1 1.524 ppm2 1.594 ASSI { 1921} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HG )) 2.600 0.800 0.800 peak 1921 weight 0.10000E+01 volume 0.34060E+04 ppm1 1.932 ppm2 1.578 ASSI { 1923} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 76 and name HD1%) 2.300 0.700 0.700 peak 1923 weight 0.10000E+01 volume 0.69170E+04 ppm1 1.524 ppm2 0.989 ASSI { 1924} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 76 and name HD1%) 2.400 2.400 3.100 peak 1924 weight 0.10000E+01 volume 0.55030E+04 ppm1 1.932 ppm2 0.989 ASSI { 1925} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 65 and name HG2%) 2.800 1.000 1.000 peak 1925 weight 0.10000E+01 volume 0.21750E+04 ppm1 1.524 ppm2 0.682 ASSI { 1927} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 86 and name HE% ) 2.700 0.900 0.900 peak 1927 weight 0.10000E+01 volume 0.25940E+04 ppm1 1.906 ppm2 6.797 ASSI { 1929} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 86 and name HE% ) 2.700 0.900 0.900 peak 1929 weight 0.10000E+01 volume 0.24200E+04 ppm1 1.520 ppm2 6.800 ASSI { 1930} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 86 and name HD% ) 3.000 1.100 1.100 peak 1930 weight 0.10000E+01 volume 0.13490E+04 ppm1 1.906 ppm2 6.984 ASSI { 1931} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 86 and name HD% ) 3.000 1.100 1.100 peak 1931 weight 0.10000E+01 volume 0.11870E+04 ppm1 1.520 ppm2 6.984 ASSI { 1932} (( segid " " and resid 76 and name HB3 )) ( segid " " and resid 74 and name HG2%) 3.000 1.100 1.100 peak 1932 weight 0.10000E+01 volume 0.12450E+04 ppm1 1.524 ppm2 0.528 ASSI { 1935} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 63 and name HD% ) 2.100 0.600 0.600 peak 1935 weight 0.10000E+01 volume 0.11730E+05 ppm1 0.990 ppm2 6.968 ASSI { 1936} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB3 )) 2.300 2.300 3.200 peak 1936 weight 0.10000E+01 volume 0.72830E+04 ppm1 4.504 ppm2 3.666 ASSI { 1937} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 2.400 0.700 0.700 peak 1937 weight 0.10000E+01 volume 0.50770E+04 ppm1 4.504 ppm2 3.774 ASSI { 1939} (( segid " " and resid 77 and name HA )) (( segid " " and resid 83 and name HA )) 2.000 0.500 0.500 peak 1939 weight 0.10000E+01 volume 0.14790E+05 ppm1 4.504 ppm2 5.411 ASSI { 1943} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 83 and name HA )) 2.800 1.000 1.000 peak 1943 weight 0.10000E+01 volume 0.21300E+04 ppm1 3.773 ppm2 5.407 ASSI { 1946} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HB3 )) 1.700 0.400 0.500 peak 1946 weight 0.10000E+01 volume 0.43900E+05 ppm1 3.773 ppm2 3.677 ASSI { 1951} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 64 and name HG2%) 2.400 0.700 0.700 peak 1951 weight 0.10000E+01 volume 0.55680E+04 ppm1 3.773 ppm2 0.902 OR { 1951} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 64 and name HG1%) ASSI { 1952} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 64 and name HG2%) 2.600 0.800 0.800 peak 1952 weight 0.10000E+01 volume 0.31000E+04 ppm1 3.664 ppm2 0.899 ASSI { 1955} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 78 and name HB2 )) 2.100 0.600 0.600 peak 1955 weight 0.10000E+01 volume 0.11860E+05 ppm1 3.868 ppm2 4.169 ASSI { 1962} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HD3 )) 2.200 0.600 0.600 peak 1962 weight 0.10000E+01 volume 0.75780E+04 ppm1 2.652 ppm2 2.502 ASSI { 1968} (( segid " " and resid 79 and name HD3 )) (( segid " " and resid 79 and name HG3 )) 2.600 0.800 0.800 peak 1968 weight 0.10000E+01 volume 0.31650E+04 ppm1 2.498 ppm2 1.510 ASSI { 1970} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HG3 )) 2.600 0.800 0.800 peak 1970 weight 0.10000E+01 volume 0.28030E+04 ppm1 2.652 ppm2 1.497 ASSI { 1972} (( segid " " and resid 79 and name HD3 )) (( segid " " and resid 63 and name HA )) 2.900 2.900 2.600 peak 1972 weight 0.10000E+01 volume 0.14640E+04 ppm1 2.498 ppm2 5.005 ASSI { 1975} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HA )) 2.200 0.600 0.600 peak 1975 weight 0.10000E+01 volume 0.75550E+04 ppm1 2.103 ppm2 4.393 ASSI { 1981} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HG3 )) 2.100 0.600 0.600 peak 1981 weight 0.10000E+01 volume 0.97250E+04 ppm1 1.699 ppm2 1.493 ASSI { 1985} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG3 )) 2.700 0.900 0.900 peak 1985 weight 0.10000E+01 volume 0.24540E+04 ppm1 4.390 ppm2 1.501 ASSI { 1986} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG2 )) 2.800 2.800 2.700 peak 1986 weight 0.10000E+01 volume 0.17950E+04 ppm1 4.390 ppm2 1.694 ASSI { 1988} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HA1 )) 1.500 1.500 4.000 peak 1988 weight 0.10000E+01 volume 0.87670E+05 ppm1 4.390 ppm2 4.408 ASSI { 1989} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HD3 )) 3.100 1.200 1.200 peak 1989 weight 0.10000E+01 volume 0.10410E+04 ppm1 4.390 ppm2 2.500 ASSI { 1990} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HD2 )) 2.900 1.100 1.100 peak 1990 weight 0.10000E+01 volume 0.14720E+04 ppm1 4.390 ppm2 2.654 ASSI { 1992} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.000 2.000 3.500 peak 1992 weight 0.10000E+01 volume 0.16770E+05 ppm1 4.619 ppm2 3.726 ASSI { 1993} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB3 )) 2.000 0.500 0.500 peak 1993 weight 0.10000E+01 volume 0.15410E+05 ppm1 4.619 ppm2 3.675 ASSI { 1996} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) 2.100 0.600 0.600 peak 1996 weight 0.10000E+01 volume 0.11860E+05 ppm1 4.694 ppm2 4.023 ASSI { 1997} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB3 )) 2.100 0.600 0.600 peak 1997 weight 0.10000E+01 volume 0.10670E+05 ppm1 4.694 ppm2 3.617 ASSI { 2002} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 82 and name HA2 )) 2.200 0.600 0.600 peak 2002 weight 0.10000E+01 volume 0.89530E+04 ppm1 4.388 ppm2 3.926 ASSI { 2008} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.500 0.800 0.800 peak 2008 weight 0.10000E+01 volume 0.36920E+04 ppm1 3.983 ppm2 1.388 ASSI { 2009} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 2.500 0.800 0.800 peak 2009 weight 0.10000E+01 volume 0.35330E+04 ppm1 3.983 ppm2 1.055 OR { 2009} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG3 )) ASSI { 2010} (( segid " " and resid 84 and name HA )) ( segid " " and resid 76 and name HD2%) 2.700 2.700 2.800 peak 2010 weight 0.10000E+01 volume 0.23830E+04 ppm1 3.983 ppm2 0.996 ASSI { 2011} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HD3 )) 2.600 0.800 0.800 peak 2011 weight 0.10000E+01 volume 0.33010E+04 ppm1 3.983 ppm2 0.944 ASSI { 2012} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB3 )) 2.200 0.600 0.600 peak 2012 weight 0.10000E+01 volume 0.95890E+04 ppm1 3.983 ppm2 0.676 ASSI { 2018} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB3 )) 2.200 0.600 0.600 peak 2018 weight 0.10000E+01 volume 0.86350E+04 ppm1 1.400 ppm2 0.676 ASSI { 2023} (( segid " " and resid 84 and name HB3 )) ( segid " " and resid 76 and name HD2%) 2.700 0.900 0.900 peak 2023 weight 0.10000E+01 volume 0.23860E+04 ppm1 0.678 ppm2 1.004 ASSI { 2025} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HD2 )) 2.900 1.100 1.100 peak 2025 weight 0.10000E+01 volume 0.17090E+04 ppm1 1.400 ppm2 1.188 ASSI { 2026} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG3 )) 2.700 0.900 0.900 peak 2026 weight 0.10000E+01 volume 0.22210E+04 ppm1 1.400 ppm2 1.061 OR { 2026} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG2 )) ASSI { 2027} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 76 and name HD2%) 2.500 0.800 0.800 peak 2027 weight 0.10000E+01 volume 0.34940E+04 ppm1 1.400 ppm2 0.998 ASSI { 2029} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 86 and name HE% ) 2.700 0.900 0.900 peak 2029 weight 0.10000E+01 volume 0.24940E+04 ppm1 1.400 ppm2 6.804 ASSI { 2030} (( segid " " and resid 84 and name HB3 )) ( segid " " and resid 86 and name HE% ) 2.900 1.100 1.100 peak 2030 weight 0.10000E+01 volume 0.16120E+04 ppm1 0.678 ppm2 6.789 ASSI { 2033} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HD3 )) 2.600 0.800 0.800 peak 2033 weight 0.10000E+01 volume 0.31850E+04 ppm1 1.070 ppm2 2.779 ASSI { 2034} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HE3 )) 2.700 0.900 0.900 peak 2034 weight 0.10000E+01 volume 0.22150E+04 ppm1 1.070 ppm2 2.649 OR { 2034} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HE3 )) ASSI { 2036} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HB3 )) 2.100 0.600 0.600 peak 2036 weight 0.10000E+01 volume 0.12690E+05 ppm1 1.070 ppm2 0.678 OR { 2036} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HB3 )) ASSI { 2038} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HD2 )) 2.700 0.900 0.900 peak 2038 weight 0.10000E+01 volume 0.26220E+04 ppm1 2.657 ppm2 1.170 ASSI { 2041} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HB3 )) 2.500 0.800 0.800 peak 2041 weight 0.10000E+01 volume 0.34660E+04 ppm1 2.649 ppm2 0.684 ASSI { 2043} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HD3 )) 2.000 0.500 0.500 peak 2043 weight 0.10000E+01 volume 0.15970E+05 ppm1 1.190 ppm2 0.954 ASSI { 2044} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HB3 )) 2.400 0.700 0.700 peak 2044 weight 0.10000E+01 volume 0.47540E+04 ppm1 1.190 ppm2 0.675 ASSI { 2046} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HB3 )) 2.300 2.300 3.200 peak 2046 weight 0.10000E+01 volume 0.63150E+04 ppm1 0.947 ppm2 0.686 ASSI { 2047} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HE3 )) 2.800 1.000 1.000 peak 2047 weight 0.10000E+01 volume 0.21840E+04 ppm1 0.944 ppm2 2.649 ASSI { 2048} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HE2 )) 2.600 0.800 0.800 peak 2048 weight 0.10000E+01 volume 0.28960E+04 ppm1 0.947 ppm2 2.758 ASSI { 2051} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HE2 )) 2.700 0.900 0.900 peak 2051 weight 0.10000E+01 volume 0.24220E+04 ppm1 1.188 ppm2 2.758 ASSI { 2052} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HA )) 2.900 1.100 1.100 peak 2052 weight 0.10000E+01 volume 0.14500E+04 ppm1 1.190 ppm2 3.973 ASSI { 2059} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HE2 )) 2.800 1.000 1.000 peak 2059 weight 0.10000E+01 volume 0.18570E+04 ppm1 1.076 ppm2 2.755 OR { 2059} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HE2 )) ASSI { 2065} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name HD3 )) 2.800 1.000 1.000 peak 2065 weight 0.10000E+01 volume 0.18200E+04 ppm1 -0.089 ppm2 2.796 ASSI { 2067} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HG3 )) 2.400 0.700 0.700 peak 2067 weight 0.10000E+01 volume 0.45780E+04 ppm1 1.045 ppm2 -0.094 ASSI { 2070} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HG3 )) 2.600 0.800 0.800 peak 2070 weight 0.10000E+01 volume 0.28960E+04 ppm1 2.818 ppm2 -0.094 ASSI { 2071} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HG2 )) 2.500 0.800 0.800 peak 2071 weight 0.10000E+01 volume 0.42490E+04 ppm1 2.818 ppm2 1.062 ASSI { 2072} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HB3 )) 2.600 0.800 0.800 peak 2072 weight 0.10000E+01 volume 0.29520E+04 ppm1 2.819 ppm2 1.432 ASSI { 2073} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HB2 )) 2.500 0.800 0.800 peak 2073 weight 0.10000E+01 volume 0.36520E+04 ppm1 2.822 ppm2 1.692 ASSI { 2075} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HG3 )) 2.900 1.100 1.100 peak 2075 weight 0.10000E+01 volume 0.17520E+04 ppm1 1.429 ppm2 -0.075 ASSI { 2076} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG3 )) 2.900 1.100 1.100 peak 2076 weight 0.10000E+01 volume 0.16660E+04 ppm1 1.670 ppm2 -0.081 ASSI { 2078} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HB2 )) 2.400 0.700 0.700 peak 2078 weight 0.10000E+01 volume 0.55430E+04 ppm1 1.454 ppm2 1.687 ASSI { 2079} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 85 and name HD3 )) 2.900 1.100 1.100 peak 2079 weight 0.10000E+01 volume 0.17550E+04 ppm1 1.442 ppm2 2.793 ASSI { 2083} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HD3 )) 2.700 0.900 0.900 peak 2083 weight 0.10000E+01 volume 0.22660E+04 ppm1 1.679 ppm2 2.776 ASSI { 2090} (( segid " " and resid 73 and name HA )) (( segid " " and resid 93 and name HZ3 )) 2.900 1.100 1.100 peak 2090 weight 0.10000E+01 volume 0.17610E+04 ppm1 5.809 ppm2 7.534 ASSI { 2092} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB2 )) 2.400 0.700 0.700 peak 2092 weight 0.10000E+01 volume 0.50610E+04 ppm1 5.717 ppm2 2.896 ASSI { 2093} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB3 )) 2.500 0.800 0.800 peak 2093 weight 0.10000E+01 volume 0.39480E+04 ppm1 5.718 ppm2 2.738 ASSI { 2096} (( segid " " and resid 87 and name HA )) (( segid " " and resid 93 and name HE3 )) 2.800 1.000 1.000 peak 2096 weight 0.10000E+01 volume 0.20280E+04 ppm1 5.717 ppm2 7.613 ASSI { 2098} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 87 and name HB2 )) 2.300 0.700 0.700 peak 2098 weight 0.10000E+01 volume 0.59290E+04 ppm1 2.707 ppm2 2.901 ASSI { 2099} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HE3 )) 2.300 0.700 0.700 peak 2099 weight 0.10000E+01 volume 0.64920E+04 ppm1 4.735 ppm2 5.083 ASSI { 2113} (( segid " " and resid 116 and name HB )) (( segid " " and resid 116 and name HA )) 2.100 0.600 0.600 peak 2113 weight 0.10000E+01 volume 0.10280E+05 ppm1 3.171 ppm2 4.201 ASSI { 2114} (( segid " " and resid 116 and name HB )) (( segid " " and resid 115 and name HA )) 3.000 3.000 2.500 peak 2114 weight 0.10000E+01 volume 0.11980E+04 ppm1 3.171 ppm2 3.882 ASSI { 2115} (( segid " " and resid 116 and name HB )) (( segid " " and resid 114 and name HA )) 3.200 3.200 2.300 peak 2115 weight 0.10000E+01 volume 0.84300E+03 ppm1 3.171 ppm2 4.378 ASSI { 2116} (( segid " " and resid 116 and name HB )) (( segid " " and resid 114 and name HB2 )) 3.100 1.200 1.200 peak 2116 weight 0.10000E+01 volume 0.11270E+04 ppm1 3.171 ppm2 1.776 ASSI { 2117} (( segid " " and resid 116 and name HB )) (( segid " " and resid 114 and name HB3 )) 2.900 1.100 1.100 peak 2117 weight 0.10000E+01 volume 0.16580E+04 ppm1 3.171 ppm2 1.526 ASSI { 2118} (( segid " " and resid 116 and name HB )) (( segid " " and resid 118 and name HG )) 2.700 2.700 2.800 peak 2118 weight 0.10000E+01 volume 0.24940E+04 ppm1 3.171 ppm2 0.792 ASSI { 2119} (( segid " " and resid 116 and name HB )) ( segid " " and resid 116 and name HG2%) 1.900 0.500 0.500 peak 2119 weight 0.10000E+01 volume 0.17340E+05 ppm1 3.169 ppm2 0.081 ASSI { 2120} (( segid " " and resid 116 and name HB )) ( segid " " and resid 38 and name HE% ) 3.000 1.100 1.100 peak 2120 weight 0.10000E+01 volume 0.13990E+04 ppm1 3.171 ppm2 6.681 ASSI { 2122} (( segid " " and resid 89 and name HB )) (( segid " " and resid 89 and name HA )) 2.000 0.500 0.500 peak 2122 weight 0.10000E+01 volume 0.15020E+05 ppm1 4.352 ppm2 4.188 ASSI { 2124} (( segid " " and resid 89 and name HB )) ( segid " " and resid 94 and name HG1%) 3.000 1.100 1.100 peak 2124 weight 0.10000E+01 volume 0.14150E+04 ppm1 4.352 ppm2 0.814 ASSI { 2126} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HB )) 1.800 0.400 0.400 peak 2126 weight 0.10000E+01 volume 0.24290E+05 ppm1 1.196 ppm2 4.350 ASSI { 2130} ( segid " " and resid 89 and name HG2%) ( segid " " and resid 94 and name HG1%) 1.800 1.800 3.700 peak 2130 weight 0.10000E+01 volume 0.24130E+05 ppm1 1.192 ppm2 0.801 ASSI { 2131} (( segid " " and resid 90 and name HA1 )) (( segid " " and resid 90 and name HA2 )) 2.300 0.700 0.700 peak 2131 weight 0.10000E+01 volume 0.68370E+04 ppm1 4.240 ppm2 3.150 ASSI { 2136} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.200 0.600 0.600 peak 2136 weight 0.10000E+01 volume 0.78050E+04 ppm1 4.565 ppm2 3.364 ASSI { 2137} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB3 )) 2.300 0.700 0.700 peak 2137 weight 0.10000E+01 volume 0.63230E+04 ppm1 4.565 ppm2 2.823 ASSI { 2142} (( segid " " and resid 92 and name HA )) (( segid " " and resid 88 and name HZ3 )) 2.600 0.800 0.800 peak 2142 weight 0.10000E+01 volume 0.29520E+04 ppm1 4.565 ppm2 6.143 ASSI { 2147} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HD1 )) 2.800 1.000 1.000 peak 2147 weight 0.10000E+01 volume 0.17980E+04 ppm1 4.576 ppm2 7.637 ASSI { 2155} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 2.000 0.500 0.500 peak 2155 weight 0.10000E+01 volume 0.14250E+05 ppm1 4.171 ppm2 1.464 OR { 2155} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB3 )) ASSI { 2159} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HE2 )) 2.900 1.100 1.100 peak 2159 weight 0.10000E+01 volume 0.14860E+04 ppm1 1.467 ppm2 2.821 OR { 2159} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HE3 )) OR { 2159} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HE2 )) ASSI { 2161} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG2 )) 2.400 0.700 0.700 peak 2161 weight 0.10000E+01 volume 0.55920E+04 ppm1 1.467 ppm2 1.045 OR { 2161} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HG2 )) ASSI { 2162} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG3 )) 2.400 0.700 0.700 peak 2162 weight 0.10000E+01 volume 0.45390E+04 ppm1 1.467 ppm2 0.858 OR { 2162} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HG3 )) ASSI { 2163} ( segid " " and resid 110 and name HD2%) (( segid " " and resid 110 and name HA )) 2.000 0.500 0.500 peak 2163 weight 0.10000E+01 volume 0.15450E+05 ppm1 0.882 ppm2 4.188 ASSI { 2173} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 12 and name HA )) 2.500 2.500 3.000 peak 2173 weight 0.10000E+01 volume 0.39190E+04 ppm1 3.015 ppm2 3.991 ASSI { 2177} (( segid " " and resid 93 and name HA )) (( segid " " and resid 88 and name HE3 )) 3.000 1.100 1.100 peak 2177 weight 0.10000E+01 volume 0.14210E+04 ppm1 5.785 ppm2 5.075 ASSI { 2178} (( segid " " and resid 94 and name HA )) (( segid " " and resid 101 and name HB3 )) 2.700 2.700 2.800 peak 2178 weight 0.10000E+01 volume 0.25180E+04 ppm1 4.902 ppm2 4.126 ASSI { 2181} (( segid " " and resid 94 and name HB )) ( segid " " and resid 89 and name HG2%) 2.200 0.600 0.600 peak 2181 weight 0.10000E+01 volume 0.76230E+04 ppm1 1.752 ppm2 1.198 ASSI { 2182} (( segid " " and resid 94 and name HB )) ( segid " " and resid 94 and name HG1%) 2.100 0.600 0.600 peak 2182 weight 0.10000E+01 volume 0.98840E+04 ppm1 1.752 ppm2 0.808 ASSI { 2183} (( segid " " and resid 94 and name HB )) ( segid " " and resid 94 and name HG2%) 2.100 0.600 0.600 peak 2183 weight 0.10000E+01 volume 0.11860E+05 ppm1 1.752 ppm2 0.742 ASSI { 2184} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HG1%) 2.300 0.700 0.700 peak 2184 weight 0.10000E+01 volume 0.66040E+04 ppm1 4.919 ppm2 0.804 ASSI { 2185} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HG2%) 2.300 0.700 0.700 peak 2185 weight 0.10000E+01 volume 0.66200E+04 ppm1 4.919 ppm2 0.746 ASSI { 2186} (( segid " " and resid 94 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.500 0.800 0.800 peak 2186 weight 0.10000E+01 volume 0.43850E+04 ppm1 4.900 ppm2 4.698 ASSI { 2201} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) 1.800 0.400 0.400 peak 2201 weight 0.10000E+01 volume 0.26900E+05 ppm1 3.839 ppm2 3.991 OR { 2201} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HA )) ASSI { 2208} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) 2.000 0.500 0.500 peak 2208 weight 0.10000E+01 volume 0.13540E+05 ppm1 4.692 ppm2 3.046 ASSI { 2210} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HB2 )) 2.100 0.600 0.600 peak 2210 weight 0.10000E+01 volume 0.10540E+05 ppm1 2.448 ppm2 3.032 ASSI { 2222} (( segid " " and resid 100 and name HB )) ( segid " " and resid 100 and name HG1%) 2.000 0.500 0.500 peak 2222 weight 0.10000E+01 volume 0.13000E+05 ppm1 2.454 ppm2 1.272 ASSI { 2223} (( segid " " and resid 100 and name HB )) ( segid " " and resid 100 and name HG2%) 1.900 0.500 0.500 peak 2223 weight 0.10000E+01 volume 0.17910E+05 ppm1 2.454 ppm2 0.913 ASSI { 2224} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HA )) 2.400 0.700 0.700 peak 2224 weight 0.10000E+01 volume 0.44650E+04 ppm1 2.454 ppm2 4.124 ASSI { 2228} (( segid " " and resid 78 and name HB2 )) ( segid " " and resid 76 and name HD2%) 2.600 0.800 0.800 peak 2228 weight 0.10000E+01 volume 0.34500E+04 ppm1 4.129 ppm2 0.997 ASSI { 2229} (( segid " " and resid 100 and name HA )) ( segid " " and resid 94 and name HG1%) 2.800 2.800 2.700 peak 2229 weight 0.10000E+01 volume 0.17800E+04 ppm1 4.115 ppm2 0.792 ASSI { 2230} (( segid " " and resid 100 and name HA )) ( segid " " and resid 94 and name HG2%) 2.800 1.000 1.000 peak 2230 weight 0.10000E+01 volume 0.21500E+04 ppm1 4.115 ppm2 0.743 ASSI { 2235} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HA )) 2.200 0.600 0.600 peak 2235 weight 0.10000E+01 volume 0.86800E+04 ppm1 0.920 ppm2 4.119 ASSI { 2236} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 100 and name HG1%) 2.300 0.700 0.700 peak 2236 weight 0.10000E+01 volume 0.60500E+04 ppm1 0.920 ppm2 1.258 ASSI { 2241} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HB3 )) 2.700 0.900 0.900 peak 2241 weight 0.10000E+01 volume 0.22320E+04 ppm1 3.549 ppm2 1.933 ASSI { 2244} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB3 )) 2.200 0.600 0.600 peak 2244 weight 0.10000E+01 volume 0.83160E+04 ppm1 3.647 ppm2 2.865 OR { 2244} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) ASSI { 2245} (( segid " " and resid 103 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.900 1.100 1.100 peak 2245 weight 0.10000E+01 volume 0.14860E+04 ppm1 3.647 ppm2 2.052 ASSI { 2246} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HB2 )) 2.600 0.800 0.800 peak 2246 weight 0.10000E+01 volume 0.30600E+04 ppm1 3.647 ppm2 1.708 ASSI { 2248} (( segid " " and resid 103 and name HA )) (( segid " " and resid 120 and name HB3 )) 2.900 1.100 1.100 peak 2248 weight 0.10000E+01 volume 0.14560E+04 ppm1 3.647 ppm2 1.180 ASSI { 2249} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HB3 )) 3.100 1.200 1.200 peak 2249 weight 0.10000E+01 volume 0.10920E+04 ppm1 3.647 ppm2 1.005 ASSI { 2252} (( segid " " and resid 103 and name HA )) ( segid " " and resid 123 and name HD2%) 2.800 1.000 1.000 peak 2252 weight 0.10000E+01 volume 0.17980E+04 ppm1 3.647 ppm2 0.549 ASSI { 2253} (( segid " " and resid 103 and name HA )) ( segid " " and resid 106 and name HD2%) 2.400 2.400 3.100 peak 2253 weight 0.10000E+01 volume 0.48000E+04 ppm1 3.647 ppm2 0.476 ASSI { 2258} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HD2 )) 2.900 1.100 1.100 peak 2258 weight 0.10000E+01 volume 0.17390E+04 ppm1 3.645 ppm2 6.977 ASSI { 2265} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 2.200 0.600 0.600 peak 2265 weight 0.10000E+01 volume 0.90550E+04 ppm1 2.348 ppm2 3.990 OR { 2265} (( segid " " and resid 104 and name HG3 )) (( segid " " and resid 104 and name HA )) ASSI { 2275} (( segid " " and resid 104 and name HA )) ( segid " " and resid 100 and name HG1%) 2.900 2.900 2.600 peak 2275 weight 0.10000E+01 volume 0.17090E+04 ppm1 4.010 ppm2 1.281 ASSI { 2279} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 100 and name HG1%) 2.700 0.900 0.900 peak 2279 weight 0.10000E+01 volume 0.24620E+04 ppm1 2.176 ppm2 1.286 ASSI { 2286} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HG )) 2.300 2.300 3.200 peak 2286 weight 0.10000E+01 volume 0.68770E+04 ppm1 4.219 ppm2 1.724 ASSI { 2287} (( segid " " and resid 110 and name HA )) ( segid " " and resid 113 and name HB% ) 2.000 0.500 0.500 peak 2287 weight 0.10000E+01 volume 0.12970E+05 ppm1 4.210 ppm2 1.622 ASSI { 2290} (( segid " " and resid 105 and name HG )) (( segid " " and resid 105 and name HB2 )) 2.400 0.700 0.700 peak 2290 weight 0.10000E+01 volume 0.47260E+04 ppm1 1.720 ppm2 2.171 ASSI { 2294} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 106 and name HD1%) 2.000 2.000 3.500 peak 2294 weight 0.10000E+01 volume 0.15340E+05 ppm1 0.958 ppm2 0.555 ASSI { 2295} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 106 and name HD2%) 2.200 0.600 0.600 peak 2295 weight 0.10000E+01 volume 0.74420E+04 ppm1 0.961 ppm2 0.463 ASSI { 2296} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 102 and name HD1%) 2.500 0.800 0.800 peak 2296 weight 0.10000E+01 volume 0.41180E+04 ppm1 0.955 ppm2 0.219 ASSI { 2304} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 84 and name HD2 )) 2.300 2.300 3.200 peak 2304 weight 0.10000E+01 volume 0.71120E+04 ppm1 0.955 ppm2 1.212 OR { 2304} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 84 and name HD2 )) ASSI { 2306} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD2 )) 2.200 0.600 0.600 peak 2306 weight 0.10000E+01 volume 0.87600E+04 ppm1 0.887 ppm2 1.246 OR { 2306} (( segid " " and resid 72 and name HG3 )) (( segid " " and resid 72 and name HD2 )) OR { 2306} (( segid " " and resid 72 and name HG3 )) (( segid " " and resid 72 and name HD3 )) ASSI { 2307} ( segid " " and resid 23 and name HD2%) ( segid " " and resid 74 and name HD1%) 2.300 0.700 0.700 peak 2307 weight 0.10000E+01 volume 0.69250E+04 ppm1 0.610 ppm2 -0.435 ASSI { 2308} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 30 and name HE% ) 2.400 0.700 0.700 peak 2308 weight 0.10000E+01 volume 0.53430E+04 ppm1 0.877 ppm2 6.977 ASSI { 2309} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.500 2.500 3.000 peak 2309 weight 0.10000E+01 volume 0.38110E+04 ppm1 0.767 ppm2 6.977 ASSI { 2311} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 30 and name HD% ) 2.500 2.500 3.000 peak 2311 weight 0.10000E+01 volume 0.36640E+04 ppm1 0.779 ppm2 7.628 ASSI { 2312} (( segid " " and resid 106 and name HA )) ( segid " " and resid 120 and name HD2%) 3.000 1.100 1.100 peak 2312 weight 0.10000E+01 volume 0.11810E+04 ppm1 3.826 ppm2 0.180 ASSI { 2315} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 38 and name HE% ) 2.200 0.600 0.600 peak 2315 weight 0.10000E+01 volume 0.89190E+04 ppm1 0.600 ppm2 6.684 ASSI { 2316} (( segid " " and resid 107 and name HA )) (( segid " " and resid 110 and name HB2 )) 2.700 2.700 2.800 peak 2316 weight 0.10000E+01 volume 0.24590E+04 ppm1 3.723 ppm2 1.984 ASSI { 2319} (( segid " " and resid 108 and name HA )) ( segid " " and resid 108 and name HB% ) 1.600 0.300 0.600 peak 2319 weight 0.10000E+01 volume 0.61170E+05 ppm1 4.199 ppm2 1.630 ASSI { 2320} (( segid " " and resid 108 and name HA )) (( segid " " and resid 111 and name HB )) 2.000 0.500 0.500 peak 2320 weight 0.10000E+01 volume 0.14570E+05 ppm1 4.209 ppm2 4.368 ASSI { 2322} (( segid " " and resid 108 and name HA )) ( segid " " and resid 111 and name HG2%) 2.500 0.800 0.800 peak 2322 weight 0.10000E+01 volume 0.41010E+04 ppm1 4.202 ppm2 1.142 ASSI { 2324} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 2.100 2.100 3.400 peak 2324 weight 0.10000E+01 volume 0.10030E+05 ppm1 4.269 ppm2 1.790 ASSI { 2327} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG3 )) 2.400 0.700 0.700 peak 2327 weight 0.10000E+01 volume 0.44530E+04 ppm1 4.088 ppm2 2.977 OR { 2327} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG2 )) ASSI { 2328} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.200 0.600 0.600 peak 2328 weight 0.10000E+01 volume 0.86230E+04 ppm1 4.088 ppm2 2.335 ASSI { 2329} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB3 )) 2.200 2.200 3.300 peak 2329 weight 0.10000E+01 volume 0.85100E+04 ppm1 4.080 ppm2 2.154 ASSI { 2334} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.400 0.700 0.700 peak 2334 weight 0.10000E+01 volume 0.45730E+04 ppm1 2.168 ppm2 4.346 OR { 2334} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 25 and name HA )) ASSI { 2336} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB2 )) 2.200 0.600 0.600 peak 2336 weight 0.10000E+01 volume 0.88390E+04 ppm1 2.983 ppm2 2.324 OR { 2336} (( segid " " and resid 109 and name HG3 )) (( segid " " and resid 109 and name HB2 )) ASSI { 2337} (( segid " " and resid 109 and name HG3 )) (( segid " " and resid 109 and name HB3 )) 2.600 0.800 0.800 peak 2337 weight 0.10000E+01 volume 0.32090E+04 ppm1 2.960 ppm2 2.142 OR { 2337} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HB3 )) ASSI { 2348} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HA )) 2.600 0.800 0.800 peak 2348 weight 0.10000E+01 volume 0.29680E+04 ppm1 2.005 ppm2 4.190 ASSI { 2352} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 118 and name HD2%) 2.300 0.700 0.700 peak 2352 weight 0.10000E+01 volume 0.56640E+04 ppm1 2.005 ppm2 0.867 ASSI { 2353} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HB2 )) 2.200 0.600 0.600 peak 2353 weight 0.10000E+01 volume 0.87820E+04 ppm1 1.389 ppm2 1.989 ASSI { 2356} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 118 and name HG )) 2.500 0.800 0.800 peak 2356 weight 0.10000E+01 volume 0.39650E+04 ppm1 1.981 ppm2 0.793 ASSI { 2357} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 118 and name HG )) 2.400 2.400 3.100 peak 2357 weight 0.10000E+01 volume 0.53910E+04 ppm1 1.388 ppm2 0.793 ASSI { 2359} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 2.400 0.700 0.700 peak 2359 weight 0.10000E+01 volume 0.44590E+04 ppm1 4.184 ppm2 1.386 ASSI { 2367} (( segid " " and resid 111 and name HB )) (( segid " " and resid 111 and name HA )) 2.300 2.300 3.200 peak 2367 weight 0.10000E+01 volume 0.59050E+04 ppm1 4.372 ppm2 4.872 ASSI { 2370} (( segid " " and resid 111 and name HB )) ( segid " " and resid 111 and name HG2%) 1.800 0.400 0.400 peak 2370 weight 0.10000E+01 volume 0.24070E+05 ppm1 4.373 ppm2 1.147 ASSI { 2373} (( segid " " and resid 111 and name HA )) (( segid " " and resid 117 and name HA )) 2.500 2.500 3.000 peak 2373 weight 0.10000E+01 volume 0.39650E+04 ppm1 4.864 ppm2 4.129 ASSI { 2381} (( segid " " and resid 111 and name HA )) ( segid " " and resid 118 and name HD2%) 2.800 2.800 2.700 peak 2381 weight 0.10000E+01 volume 0.18030E+04 ppm1 4.864 ppm2 0.860 OR { 2381} (( segid " " and resid 111 and name HA )) ( segid " " and resid 118 and name HD1%) ASSI { 2382} (( segid " " and resid 111 and name HA )) (( segid " " and resid 118 and name HG )) 2.400 2.400 3.100 peak 2382 weight 0.10000E+01 volume 0.51660E+04 ppm1 4.864 ppm2 0.795 ASSI { 2383} (( segid " " and resid 111 and name HA )) ( segid " " and resid 116 and name HG2%) 2.800 1.000 1.000 peak 2383 weight 0.10000E+01 volume 0.17800E+04 ppm1 4.878 ppm2 0.084 ASSI { 2384} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 38 and name HB2 )) 2.800 2.800 2.700 peak 2384 weight 0.10000E+01 volume 0.18370E+04 ppm1 0.072 ppm2 3.451 ASSI { 2388} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HA )) 2.000 0.500 0.500 peak 2388 weight 0.10000E+01 volume 0.14200E+05 ppm1 1.143 ppm2 4.868 ASSI { 2389} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 116 and name HG2%) 2.700 2.700 2.800 peak 2389 weight 0.10000E+01 volume 0.25060E+04 ppm1 1.145 ppm2 0.089 ASSI { 2392} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HB )) 1.800 0.400 0.400 peak 2392 weight 0.10000E+01 volume 0.32180E+05 ppm1 1.143 ppm2 4.129 ASSI { 2396} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 112 and name HA )) 2.000 2.000 3.500 peak 2396 weight 0.10000E+01 volume 0.16020E+05 ppm1 1.905 ppm2 4.074 OR { 2396} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HA )) ASSI { 2401} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB3 )) 2.600 0.800 0.800 peak 2401 weight 0.10000E+01 volume 0.28830E+04 ppm1 1.695 ppm2 2.095 ASSI { 2402} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HB3 )) 2.600 0.800 0.800 peak 2402 weight 0.10000E+01 volume 0.27510E+04 ppm1 1.523 ppm2 2.090 ASSI { 2403} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 2403 weight 0.10000E+01 volume 0.20870E+04 ppm1 1.695 ppm2 2.294 ASSI { 2404} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HB2 )) 2.600 0.800 0.800 peak 2404 weight 0.10000E+01 volume 0.29800E+04 ppm1 1.518 ppm2 2.299 ASSI { 2405} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HD3 )) 2.700 0.900 0.900 peak 2405 weight 0.10000E+01 volume 0.26420E+04 ppm1 1.695 ppm2 2.508 ASSI { 2407} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HD2 )) 2.700 0.900 0.900 peak 2407 weight 0.10000E+01 volume 0.26220E+04 ppm1 1.671 ppm2 2.662 ASSI { 2427} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB )) 2.000 2.000 3.500 peak 2427 weight 0.10000E+01 volume 0.13610E+05 ppm1 3.853 ppm2 4.131 ASSI { 2428} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.500 0.800 0.800 peak 2428 weight 0.10000E+01 volume 0.37720E+04 ppm1 3.853 ppm2 1.859 OR { 2428} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 2430} (( segid " " and resid 14 and name HA )) ( segid " " and resid 13 and name HG2%) 2.900 1.100 1.100 peak 2430 weight 0.10000E+01 volume 0.16240E+04 ppm1 3.849 ppm2 1.260 ASSI { 2437} (( segid " " and resid 113 and name HA )) ( segid " " and resid 113 and name HB% ) 1.600 0.300 0.600 peak 2437 weight 0.10000E+01 volume 0.57990E+05 ppm1 4.210 ppm2 1.631 ASSI { 2447} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB3 )) 2.300 0.700 0.700 peak 2447 weight 0.10000E+01 volume 0.57440E+04 ppm1 4.374 ppm2 1.505 ASSI { 2448} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) 2.400 0.700 0.700 peak 2448 weight 0.10000E+01 volume 0.55270E+04 ppm1 4.382 ppm2 1.797 ASSI { 2449} (( segid " " and resid 114 and name HA )) ( segid " " and resid 113 and name HB% ) 2.600 2.600 2.900 peak 2449 weight 0.10000E+01 volume 0.33450E+04 ppm1 4.382 ppm2 1.621 ASSI { 2450} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HG3 )) 2.700 0.900 0.900 peak 2450 weight 0.10000E+01 volume 0.22290E+04 ppm1 4.385 ppm2 1.331 ASSI { 2456} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HB2 )) 2.200 0.600 0.600 peak 2456 weight 0.10000E+01 volume 0.76350E+04 ppm1 1.519 ppm2 1.793 ASSI { 2459} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 2459 weight 0.10000E+01 volume 0.72600E+04 ppm1 1.575 ppm2 2.015 ASSI { 2464} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB3 )) 2.400 0.700 0.700 peak 2464 weight 0.10000E+01 volume 0.53750E+04 ppm1 2.057 ppm2 1.195 ASSI { 2467} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 114 and name HD1%) 2.200 0.600 0.600 peak 2467 weight 0.10000E+01 volume 0.75890E+04 ppm1 1.786 ppm2 0.933 ASSI { 2468} (( segid " " and resid 114 and name HB3 )) ( segid " " and resid 114 and name HD2%) 2.200 0.600 0.600 peak 2468 weight 0.10000E+01 volume 0.78280E+04 ppm1 1.521 ppm2 0.933 ASSI { 2469} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 118 and name HG )) 2.700 2.700 2.800 peak 2469 weight 0.10000E+01 volume 0.24030E+04 ppm1 1.782 ppm2 0.784 ASSI { 2472} (( segid " " and resid 123 and name HB3 )) ( segid " " and resid 123 and name HD1%) 2.500 0.800 0.800 peak 2472 weight 0.10000E+01 volume 0.35560E+04 ppm1 1.578 ppm2 0.771 ASSI { 2475} (( segid " " and resid 65 and name HB )) ( segid " " and resid 23 and name HD2%) 2.600 0.800 0.800 peak 2475 weight 0.10000E+01 volume 0.31810E+04 ppm1 1.758 ppm2 0.606 ASSI { 2477} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 116 and name HG2%) 2.700 0.900 0.900 peak 2477 weight 0.10000E+01 volume 0.22550E+04 ppm1 1.776 ppm2 0.081 ASSI { 2483} (( segid " " and resid 120 and name HB3 )) ( segid " " and resid 120 and name HD1%) 2.500 0.800 0.800 peak 2483 weight 0.10000E+01 volume 0.37660E+04 ppm1 1.213 ppm2 0.407 ASSI { 2484} (( segid " " and resid 114 and name HB3 )) ( segid " " and resid 38 and name HD% ) 2.800 1.000 1.000 peak 2484 weight 0.10000E+01 volume 0.20960E+04 ppm1 1.531 ppm2 6.923 ASSI { 2487} ( segid " " and resid 114 and name HD2%) (( segid " " and resid 114 and name HA )) 2.600 2.600 2.900 peak 2487 weight 0.10000E+01 volume 0.29840E+04 ppm1 0.930 ppm2 4.381 ASSI { 2491} ( segid " " and resid 114 and name HD2%) (( segid " " and resid 110 and name HB3 )) 2.500 0.800 0.800 peak 2491 weight 0.10000E+01 volume 0.39020E+04 ppm1 0.930 ppm2 1.386 ASSI { 2493} ( segid " " and resid 114 and name HD2%) ( segid " " and resid 38 and name HE% ) 2.500 0.800 0.800 peak 2493 weight 0.10000E+01 volume 0.42320E+04 ppm1 0.929 ppm2 6.684 ASSI { 2494} ( segid " " and resid 114 and name HD2%) ( segid " " and resid 38 and name HD% ) 2.300 0.700 0.700 peak 2494 weight 0.10000E+01 volume 0.62670E+04 ppm1 0.924 ppm2 6.906 ASSI { 2497} (( segid " " and resid 106 and name HG )) (( segid " " and resid 30 and name HZ )) 2.200 0.600 0.600 peak 2497 weight 0.10000E+01 volume 0.76800E+04 ppm1 0.867 ppm2 6.773 ASSI { 2498} (( segid " " and resid 106 and name HG )) ( segid " " and resid 30 and name HE% ) 2.300 2.300 3.200 peak 2498 weight 0.10000E+01 volume 0.64590E+04 ppm1 0.874 ppm2 6.981 ASSI { 2500} (( segid " " and resid 118 and name HG )) ( segid " " and resid 38 and name HD% ) 2.700 2.700 2.800 peak 2500 weight 0.10000E+01 volume 0.24540E+04 ppm1 0.797 ppm2 6.906 ASSI { 2501} (( segid " " and resid 118 and name HG )) ( segid " " and resid 38 and name HE% ) 2.700 0.900 0.900 peak 2501 weight 0.10000E+01 volume 0.26060E+04 ppm1 0.803 ppm2 6.687 ASSI { 2503} ( segid " " and resid 114 and name HD2%) ( segid " " and resid 116 and name HG2%) 2.600 0.800 0.800 peak 2503 weight 0.10000E+01 volume 0.34100E+04 ppm1 0.924 ppm2 0.082 ASSI { 2504} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HG3 )) 2.200 2.200 3.300 peak 2504 weight 0.10000E+01 volume 0.83160E+04 ppm1 3.894 ppm2 1.358 ASSI { 2506} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HD3 )) 2.700 0.900 0.900 peak 2506 weight 0.10000E+01 volume 0.24780E+04 ppm1 3.894 ppm2 1.776 OR { 2506} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HD2 )) ASSI { 2507} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB3 )) 2.100 0.600 0.600 peak 2507 weight 0.10000E+01 volume 0.11280E+05 ppm1 3.894 ppm2 1.909 ASSI { 2508} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) 2.200 2.200 3.300 peak 2508 weight 0.10000E+01 volume 0.86120E+04 ppm1 3.894 ppm2 2.054 ASSI { 2513} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HB2 )) 2.000 0.500 0.500 peak 2513 weight 0.10000E+01 volume 0.14200E+05 ppm1 1.912 ppm2 2.035 ASSI { 2519} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HG2 )) 2.300 0.700 0.700 peak 2519 weight 0.10000E+01 volume 0.57200E+04 ppm1 1.919 ppm2 1.362 OR { 2519} (( segid " " and resid 115 and name HB3 )) (( segid " " and resid 115 and name HG3 )) ASSI { 2521} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HG2 )) 2.400 0.700 0.700 peak 2521 weight 0.10000E+01 volume 0.50370E+04 ppm1 2.041 ppm2 1.357 OR { 2521} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HG3 )) ASSI { 2525} (( segid " " and resid 31 and name HA )) (( segid " " and resid 45 and name HB )) 2.700 0.900 0.900 peak 2525 weight 0.10000E+01 volume 0.24620E+04 ppm1 4.225 ppm2 1.915 ASSI { 2526} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HB3 )) 2.500 2.500 3.000 peak 2526 weight 0.10000E+01 volume 0.35050E+04 ppm1 4.092 ppm2 1.906 OR { 2526} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HB2 )) ASSI { 2530} (( segid " " and resid 116 and name HA )) (( segid " " and resid 111 and name HA )) 2.900 2.900 2.600 peak 2530 weight 0.10000E+01 volume 0.16420E+04 ppm1 4.179 ppm2 4.870 ASSI { 2538} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HE3 )) 2.900 1.100 1.100 peak 2538 weight 0.10000E+01 volume 0.16380E+04 ppm1 1.693 ppm2 2.929 OR { 2538} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HE3 )) OR { 2538} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HE2 )) ASSI { 2540} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) 2.200 0.600 0.600 peak 2540 weight 0.10000E+01 volume 0.73390E+04 ppm1 4.653 ppm2 1.233 ASSI { 2542} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) 2.500 0.800 0.800 peak 2542 weight 0.10000E+01 volume 0.36580E+04 ppm1 1.522 ppm2 4.658 ASSI { 2543} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HB2 )) 2.000 0.500 0.500 peak 2543 weight 0.10000E+01 volume 0.12980E+05 ppm1 1.244 ppm2 1.518 ASSI { 2547} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 118 and name HD2%) 2.400 0.700 0.700 peak 2547 weight 0.10000E+01 volume 0.55270E+04 ppm1 1.244 ppm2 0.862 OR { 2547} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 118 and name HD1%) ASSI { 2548} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HG )) 2.300 0.700 0.700 peak 2548 weight 0.10000E+01 volume 0.65800E+04 ppm1 1.244 ppm2 0.798 ASSI { 2549} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 33 and name HD1%) 2.600 2.600 2.900 peak 2549 weight 0.10000E+01 volume 0.33450E+04 ppm1 1.219 ppm2 0.703 ASSI { 2550} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 118 and name HD1%) 2.400 2.400 3.100 peak 2550 weight 0.10000E+01 volume 0.53430E+04 ppm1 1.528 ppm2 0.860 ASSI { 2552} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 120 and name HD1%) 2.700 0.900 0.900 peak 2552 weight 0.10000E+01 volume 0.23320E+04 ppm1 1.528 ppm2 0.411 ASSI { 2553} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 120 and name HD1%) 2.600 0.800 0.800 peak 2553 weight 0.10000E+01 volume 0.32450E+04 ppm1 1.244 ppm2 0.410 ASSI { 2554} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HD1%) 1.900 0.500 0.500 peak 2554 weight 0.10000E+01 volume 0.19320E+05 ppm1 4.653 ppm2 0.864 ASSI { 2555} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG )) 2.400 0.700 0.700 peak 2555 weight 0.10000E+01 volume 0.53350E+04 ppm1 4.653 ppm2 0.798 ASSI { 2556} (( segid " " and resid 118 and name HA )) ( segid " " and resid 120 and name HD1%) 2.600 2.600 2.900 peak 2556 weight 0.10000E+01 volume 0.29920E+04 ppm1 4.646 ppm2 0.403 ASSI { 2558} (( segid " " and resid 118 and name HG )) (( segid " " and resid 118 and name HB2 )) 2.000 0.500 0.500 peak 2558 weight 0.10000E+01 volume 0.13560E+05 ppm1 0.800 ppm2 1.547 ASSI { 2562} ( segid " " and resid 118 and name HD2%) (( segid " " and resid 118 and name HB2 )) 2.000 0.500 0.500 peak 2562 weight 0.10000E+01 volume 0.15720E+05 ppm1 0.857 ppm2 1.525 OR { 2562} ( segid " " and resid 118 and name HD1%) (( segid " " and resid 118 and name HB2 )) ASSI { 2566} (( segid " " and resid 118 and name HA )) ( segid " " and resid 116 and name HG2%) 2.700 2.700 2.800 peak 2566 weight 0.10000E+01 volume 0.25140E+04 ppm1 4.648 ppm2 0.080 ASSI { 2567} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HB3 )) 2.200 2.200 3.300 peak 2567 weight 0.10000E+01 volume 0.79870E+04 ppm1 4.691 ppm2 2.455 ASSI { 2570} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 2570 weight 0.10000E+01 volume 0.44990E+04 ppm1 2.740 ppm2 4.599 ASSI { 2572} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HB3 )) 2.000 0.500 0.500 peak 2572 weight 0.10000E+01 volume 0.15430E+05 ppm1 2.740 ppm2 2.437 ASSI { 2576} (( segid " " and resid 119 and name HA )) ( segid " " and resid 120 and name HD1%) 2.500 2.500 3.000 peak 2576 weight 0.10000E+01 volume 0.35100E+04 ppm1 4.586 ppm2 0.406 ASSI { 2581} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HG )) 2.900 1.100 1.100 peak 2581 weight 0.10000E+01 volume 0.17370E+04 ppm1 1.228 ppm2 0.309 ASSI { 2582} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HG )) 2.700 0.900 0.900 peak 2582 weight 0.10000E+01 volume 0.22690E+04 ppm1 2.061 ppm2 0.310 ASSI { 2583} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 120 and name HD2%) 1.700 0.400 0.500 peak 2583 weight 0.10000E+01 volume 0.41200E+05 ppm1 0.413 ppm2 0.189 ASSI { 2587} (( segid " " and resid 74 and name HG13)) (( segid " " and resid 67 and name HA )) 2.900 1.100 1.100 peak 2587 weight 0.10000E+01 volume 0.17270E+04 ppm1 0.197 ppm2 4.115 ASSI { 2589} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 2589 weight 0.10000E+01 volume 0.19590E+04 ppm1 0.188 ppm2 3.714 ASSI { 2590} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 103 and name HB3 )) 2.800 1.000 1.000 peak 2590 weight 0.10000E+01 volume 0.20450E+04 ppm1 0.188 ppm2 2.863 OR { 2590} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 103 and name HB2 )) ASSI { 2591} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 103 and name HB3 )) 2.900 1.100 1.100 peak 2591 weight 0.10000E+01 volume 0.17550E+04 ppm1 1.185 ppm2 2.858 OR { 2591} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 103 and name HB2 )) ASSI { 2593} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 103 and name HD2 )) 2.900 2.900 2.600 peak 2593 weight 0.10000E+01 volume 0.17660E+04 ppm1 1.194 ppm2 6.982 ASSI { 2596} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HA )) 2.400 2.400 3.100 peak 2596 weight 0.10000E+01 volume 0.48450E+04 ppm1 3.901 ppm2 3.488 ASSI { 2602} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HA )) 2.600 0.800 0.800 peak 2602 weight 0.10000E+01 volume 0.28510E+04 ppm1 1.591 ppm2 4.082 ASSI { 2604} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 123 and name HD2%) 2.200 0.600 0.600 peak 2604 weight 0.10000E+01 volume 0.81460E+04 ppm1 2.019 ppm2 0.575 ASSI { 2606} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 123 and name HD1%) 1.900 0.500 0.500 peak 2606 weight 0.10000E+01 volume 0.18950E+05 ppm1 0.573 ppm2 0.767 ASSI { 2607} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 123 and name HB2 )) 2.500 0.800 0.800 peak 2607 weight 0.10000E+01 volume 0.41410E+04 ppm1 0.771 ppm2 2.014 ASSI { 2612} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 120 and name HG )) 2.500 0.800 0.800 peak 2612 weight 0.10000E+01 volume 0.38280E+04 ppm1 0.787 ppm2 0.296 ASSI { 2613} ( segid " " and resid 123 and name HD1%) ( segid " " and resid 120 and name HD2%) 2.700 0.900 0.900 peak 2613 weight 0.10000E+01 volume 0.25100E+04 ppm1 0.774 ppm2 0.180 ASSI { 2615} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HB% ) 1.800 0.400 0.400 peak 2615 weight 0.10000E+01 volume 0.25360E+05 ppm1 3.835 ppm2 1.249 ASSI { 2617} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 99 and name HA2 )) 2.400 2.400 3.100 peak 2617 weight 0.10000E+01 volume 0.44190E+04 ppm1 0.764 ppm2 3.573 ASSI { 2618} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HB )) 1.900 0.500 0.500 peak 2618 weight 0.10000E+01 volume 0.21080E+05 ppm1 0.852 ppm2 2.098 OR { 2618} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 51 and name HB )) ASSI { 2620} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB3 )) 2.100 0.600 0.600 peak 2620 weight 0.10000E+01 volume 0.98500E+04 ppm1 3.384 ppm2 3.264 ASSI { 2621} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB2 )) 2.100 0.600 0.600 peak 2621 weight 0.10000E+01 volume 0.12180E+05 ppm1 3.384 ppm2 3.486 ASSI { 2625} (( segid " " and resid 126 and name HA )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 2625 weight 0.10000E+01 volume 0.26340E+04 ppm1 3.384 ppm2 2.859 OR { 2625} (( segid " " and resid 126 and name HA )) (( segid " " and resid 103 and name HB3 )) ASSI { 2626} (( segid " " and resid 126 and name HA )) (( segid " " and resid 103 and name HE1 )) 2.700 0.900 0.900 peak 2626 weight 0.10000E+01 volume 0.22660E+04 ppm1 3.391 ppm2 7.491 ASSI { 2630} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HB2 )) 2.000 0.500 0.500 peak 2630 weight 0.10000E+01 volume 0.13430E+05 ppm1 3.266 ppm2 3.485 ASSI { 2637} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 121 and name HA )) 2.600 0.800 0.800 peak 2637 weight 0.10000E+01 volume 0.30720E+04 ppm1 3.489 ppm2 3.804 ASSI { 2638} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 103 and name HD2 )) 3.000 3.000 2.500 peak 2638 weight 0.10000E+01 volume 0.12730E+04 ppm1 3.265 ppm2 6.986 ASSI { 2639} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 103 and name HB2 )) 3.000 1.100 1.100 peak 2639 weight 0.10000E+01 volume 0.12080E+04 ppm1 3.285 ppm2 2.856 OR { 2639} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 103 and name HB3 )) ASSI { 2640} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 103 and name HB2 )) 2.900 1.100 1.100 peak 2640 weight 0.10000E+01 volume 0.15880E+04 ppm1 3.493 ppm2 2.860 OR { 2640} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 103 and name HB3 )) ASSI { 2645} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB3 )) 2.000 0.500 0.500 peak 2645 weight 0.10000E+01 volume 0.12980E+05 ppm1 4.261 ppm2 1.659 ASSI { 2646} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG2 )) 2.400 0.700 0.700 peak 2646 weight 0.10000E+01 volume 0.50850E+04 ppm1 4.265 ppm2 1.360 OR { 2646} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG3 )) ASSI { 2648} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HE2 )) 2.900 1.100 1.100 peak 2648 weight 0.10000E+01 volume 0.17630E+04 ppm1 1.789 ppm2 2.915 OR { 2648} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HE3 )) ASSI { 2649} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HE2 )) 2.900 1.100 1.100 peak 2649 weight 0.10000E+01 volume 0.16700E+04 ppm1 1.671 ppm2 2.915 OR { 2649} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HE3 )) ASSI { 2650} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HG3 )) 2.100 0.600 0.600 peak 2650 weight 0.10000E+01 volume 0.11200E+05 ppm1 1.667 ppm2 1.349 OR { 2650} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HG2 )) ASSI { 2652} (( segid " " and resid 128 and name HD3 )) (( segid " " and resid 128 and name HA )) 2.300 2.300 3.200 peak 2652 weight 0.10000E+01 volume 0.60980E+04 ppm1 1.581 ppm2 4.262 OR { 2652} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HA )) ASSI { 2654} (( segid " " and resid 128 and name HD3 )) (( segid " " and resid 128 and name HE2 )) 2.200 0.600 0.600 peak 2654 weight 0.10000E+01 volume 0.81570E+04 ppm1 1.581 ppm2 2.913 OR { 2654} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HE3 )) OR { 2654} (( segid " " and resid 128 and name HD3 )) (( segid " " and resid 128 and name HE3 )) ASSI { 2657} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HE2 )) 2.600 0.800 0.800 peak 2657 weight 0.10000E+01 volume 0.32010E+04 ppm1 1.346 ppm2 2.926 OR { 2657} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HE3 )) OR { 2657} (( segid " " and resid 128 and name HG3 )) (( segid " " and resid 128 and name HE3 )) ASSI { 2658} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HB2 )) 2.400 0.700 0.700 peak 2658 weight 0.10000E+01 volume 0.47200E+04 ppm1 1.346 ppm2 1.778 OR { 2658} (( segid " " and resid 128 and name HG3 )) (( segid " " and resid 128 and name HB2 )) ASSI { 2660} (( segid " " and resid 128 and name HG3 )) (( segid " " and resid 128 and name HD2 )) 1.900 0.500 0.500 peak 2660 weight 0.10000E+01 volume 0.19060E+05 ppm1 1.346 ppm2 1.585 OR { 2660} (( segid " " and resid 128 and name HG3 )) (( segid " " and resid 128 and name HD3 )) OR { 2660} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HD2 )) OR { 2660} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HD3 )) ASSI { 2664} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HB3 )) 1.600 0.300 0.600 peak 2664 weight 0.10000E+01 volume 0.49360E+05 ppm1 2.715 ppm2 2.508 ASSI { 2665} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 2.300 0.700 0.700 peak 2665 weight 0.10000E+01 volume 0.71580E+04 ppm1 4.492 ppm2 2.707 ASSI { 2666} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HA )) 2.200 0.600 0.600 peak 2666 weight 0.10000E+01 volume 0.90780E+04 ppm1 2.500 ppm2 4.507 ASSI { 2669} (( segid " " and resid 130 and name HA )) (( segid " " and resid 129 and name HA )) 2.800 2.800 2.700 peak 2669 weight 0.10000E+01 volume 0.18170E+04 ppm1 4.059 ppm2 4.517 ASSI { 2671} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 130 and name HA )) 1.800 0.400 0.400 peak 2671 weight 0.10000E+01 volume 0.24710E+05 ppm1 1.251 ppm2 4.051 ASSI { 2674} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG2 )) 2.500 0.800 0.800 peak 2674 weight 0.10000E+01 volume 0.39480E+04 ppm1 4.232 ppm2 1.887 ASSI { 2675} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB3 )) 2.500 0.800 0.800 peak 2675 weight 0.10000E+01 volume 0.36640E+04 ppm1 4.232 ppm2 1.976 ASSI { 2676} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.300 0.700 0.700 peak 2676 weight 0.10000E+01 volume 0.73050E+04 ppm1 4.232 ppm2 2.314 ASSI { 2677} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HD3 )) 2.500 0.800 0.800 peak 2677 weight 0.10000E+01 volume 0.36920E+04 ppm1 4.232 ppm2 3.392 ASSI { 2678} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HD2 )) 2.400 2.400 3.100 peak 2678 weight 0.10000E+01 volume 0.53350E+04 ppm1 4.232 ppm2 3.712 ASSI { 2688} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 125 and name HE% ) 2.300 0.700 0.700 peak 2688 weight 0.10000E+01 volume 0.67250E+04 ppm1 -0.147 ppm2 6.956 ASSI { 2689} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG3 )) 2.400 0.700 0.700 peak 2689 weight 0.10000E+01 volume 0.51820E+04 ppm1 5.785 ppm2 2.812 OR { 2689} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG2 )) ASSI { 2693} (( segid " " and resid 120 and name HG )) ( segid " " and resid 29 and name HE% ) 2.900 1.100 1.100 peak 2693 weight 0.10000E+01 volume 0.16520E+04 ppm1 0.333 ppm2 6.775 ASSI { 2702} (( segid " " and resid 74 and name HB )) (( segid " " and resid 74 and name HG13)) 2.700 0.900 0.900 peak 2702 weight 0.10000E+01 volume 0.22240E+04 ppm1 1.171 ppm2 0.166 ASSI { 2704} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 2704 weight 0.10000E+01 volume 0.20790E+04 ppm1 0.513 ppm2 4.108 ASSI { 2705} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 86 and name HB2 )) 2.800 1.000 1.000 peak 2705 weight 0.10000E+01 volume 0.20820E+04 ppm1 0.513 ppm2 3.436 ASSI { 2710} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 65 and name HA )) 2.900 1.100 1.100 peak 2710 weight 0.10000E+01 volume 0.16060E+04 ppm1 0.513 ppm2 5.258 ASSI { 2711} ( segid " " and resid 74 and name HG2%) ( segid " " and resid 86 and name HD% ) 2.700 0.900 0.900 peak 2711 weight 0.10000E+01 volume 0.26990E+04 ppm1 0.513 ppm2 6.992 ASSI { 2712} ( segid " " and resid 74 and name HG2%) ( segid " " and resid 23 and name HD2%) 2.100 2.100 3.400 peak 2712 weight 0.10000E+01 volume 0.11970E+05 ppm1 0.508 ppm2 0.597 ASSI { 2715} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 74 and name HG12)) 2.100 0.600 0.600 peak 2715 weight 0.10000E+01 volume 0.96230E+04 ppm1 0.506 ppm2 0.392 ASSI { 2716} ( segid " " and resid 74 and name HG2%) ( segid " " and resid 102 and name HD1%) 2.100 2.100 3.400 peak 2716 weight 0.10000E+01 volume 0.10510E+05 ppm1 0.505 ppm2 0.221 ASSI { 2717} ( segid " " and resid 74 and name HG2%) ( segid " " and resid 102 and name HD2%) 2.100 0.600 0.600 peak 2717 weight 0.10000E+01 volume 0.12120E+05 ppm1 0.508 ppm2 0.157 ASSI { 2718} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HA )) 1.900 0.500 0.500 peak 2718 weight 0.10000E+01 volume 0.19520E+05 ppm1 3.836 ppm2 4.328 OR { 2718} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HA )) ASSI { 2722} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 103 and name HE1 )) 2.200 2.200 3.300 peak 2722 weight 0.10000E+01 volume 0.77260E+04 ppm1 1.130 ppm2 7.504 ASSI { 2723} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 93 and name HD1 )) 2.200 0.600 0.600 peak 2723 weight 0.10000E+01 volume 0.75780E+04 ppm1 1.134 ppm2 7.632 ASSI { 2731} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 17 and name HB3 )) 2.300 2.300 3.200 peak 2731 weight 0.10000E+01 volume 0.67330E+04 ppm1 -0.599 ppm2 1.871 OR { 2731} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 17 and name HB2 )) ASSI { 2732} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 18 and name HB2 )) 2.300 0.700 0.700 peak 2732 weight 0.10000E+01 volume 0.65480E+04 ppm1 -0.599 ppm2 1.246 ASSI { 2733} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 18 and name HG )) 2.200 0.600 0.600 peak 2733 weight 0.10000E+01 volume 0.80780E+04 ppm1 -0.599 ppm2 1.189 ASSI { 2734} ( segid " " and resid 18 and name HD2%) ( segid " " and resid 14 and name HG2%) 2.000 0.500 0.500 peak 2734 weight 0.10000E+01 volume 0.13080E+05 ppm1 -0.599 ppm2 1.127 ASSI { 2735} ( segid " " and resid 18 and name HD2%) (( segid " " and resid 18 and name HB3 )) 2.400 0.700 0.700 peak 2735 weight 0.10000E+01 volume 0.48400E+04 ppm1 -0.599 ppm2 0.454 ASSI { 2739} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HB3 )) 2.900 2.900 2.600 peak 2739 weight 0.10000E+01 volume 0.15960E+04 ppm1 3.720 ppm2 2.189 ASSI { 2740} (( segid " " and resid 18 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.900 2.900 2.600 peak 2740 weight 0.10000E+01 volume 0.15060E+04 ppm1 3.712 ppm2 2.250 ASSI { 2743} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 33 and name HB2 )) 2.000 2.000 3.500 peak 2743 weight 0.10000E+01 volume 0.14860E+05 ppm1 0.763 ppm2 1.558 ASSI { 2751} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 23 and name HD2%) 2.400 0.700 0.700 peak 2751 weight 0.10000E+01 volume 0.46470E+04 ppm1 1.130 ppm2 0.608 ASSI { 2752} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 26 and name HD1%) 2.000 0.500 0.500 peak 2752 weight 0.10000E+01 volume 0.12900E+05 ppm1 1.130 ppm2 0.536 ASSI { 2753} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 26 and name HD2%) 2.600 2.600 2.900 peak 2753 weight 0.10000E+01 volume 0.28230E+04 ppm1 1.130 ppm2 0.413 ASSI { 2755} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 74 and name HD1%) 2.100 0.600 0.600 peak 2755 weight 0.10000E+01 volume 0.10600E+05 ppm1 1.130 ppm2 -0.430 ASSI { 2762} (( segid " " and resid 18 and name HA )) ( segid " " and resid 125 and name HD% ) 3.000 1.100 1.100 peak 2762 weight 0.10000E+01 volume 0.13270E+04 ppm1 3.724 ppm2 7.220 ASSI { 2767} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.900 1.100 1.100 peak 2767 weight 0.10000E+01 volume 0.16620E+04 ppm1 3.551 ppm2 2.172 ASSI { 2768} (( segid " " and resid 60 and name HG )) ( segid " " and resid 60 and name HD1%) 1.900 0.500 0.500 peak 2768 weight 0.10000E+01 volume 0.17930E+05 ppm1 1.918 ppm2 1.064 ASSI { 2775} (( segid " " and resid 72 and name HD2 )) ( segid " " and resid 18 and name HD1%) 2.500 2.500 3.000 peak 2775 weight 0.10000E+01 volume 0.34580E+04 ppm1 1.271 ppm2 -0.188 OR { 2775} (( segid " " and resid 72 and name HD3 )) ( segid " " and resid 18 and name HD1%) ASSI { 2784} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 67 and name HG3 )) 2.500 0.800 0.800 peak 2784 weight 0.10000E+01 volume 0.34620E+04 ppm1 0.763 ppm2 1.493 OR { 2784} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 67 and name HG2 )) ASSI { 2785} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 72 and name HB2 )) 2.700 2.700 2.800 peak 2785 weight 0.10000E+01 volume 0.27310E+04 ppm1 0.760 ppm2 1.678 OR { 2785} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 72 and name HB3 )) ASSI { 2786} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 2786 weight 0.10000E+01 volume 0.21190E+04 ppm1 0.760 ppm2 1.941 OR { 2786} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 67 and name HB3 )) ASSI { 2787} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB3 )) 2.400 0.700 0.700 peak 2787 weight 0.10000E+01 volume 0.46860E+04 ppm1 3.821 ppm2 1.006 ASSI { 2790} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 77 and name HB2 )) 2.500 2.500 3.000 peak 2790 weight 0.10000E+01 volume 0.41860E+04 ppm1 2.010 ppm2 3.756 OR { 2790} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 77 and name HB2 )) ASSI { 2800} (( segid " " and resid 22 and name HB )) ( segid " " and resid 74 and name HD1%) 2.700 0.900 0.900 peak 2800 weight 0.10000E+01 volume 0.24940E+04 ppm1 4.277 ppm2 -0.435 ASSI { 2801} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 22 and name HB )) 2.000 0.500 0.500 peak 2801 weight 0.10000E+01 volume 0.15290E+05 ppm1 1.131 ppm2 4.275 ASSI { 2803} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 29 and name HB3 )) 2.200 0.600 0.600 peak 2803 weight 0.10000E+01 volume 0.78620E+04 ppm1 0.776 ppm2 3.174 OR { 2803} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 29 and name HB2 )) ASSI { 2807} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 103 and name HD2 )) 2.300 0.700 0.700 peak 2807 weight 0.10000E+01 volume 0.71800E+04 ppm1 0.574 ppm2 6.976 ASSI { 2809} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 29 and name HD% ) 2.500 2.500 3.000 peak 2809 weight 0.10000E+01 volume 0.40440E+04 ppm1 0.572 ppm2 6.481 ASSI { 2813} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 26 and name HG )) 2.300 0.700 0.700 peak 2813 weight 0.10000E+01 volume 0.61940E+04 ppm1 0.557 ppm2 1.799 ASSI { 2814} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 120 and name HB3 )) 2.400 0.700 0.700 peak 2814 weight 0.10000E+01 volume 0.50850E+04 ppm1 0.557 ppm2 1.196 ASSI { 2815} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 52 and name HD2%) 2.500 0.800 0.800 peak 2815 weight 0.10000E+01 volume 0.35730E+04 ppm1 1.934 ppm2 0.692 ASSI { 2816} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 26 and name HD1%) 2.300 0.700 0.700 peak 2816 weight 0.10000E+01 volume 0.59850E+04 ppm1 1.927 ppm2 0.538 ASSI { 2818} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 17 and name HB2 )) 2.400 0.700 0.700 peak 2818 weight 0.10000E+01 volume 0.52140E+04 ppm1 3.151 ppm2 1.852 OR { 2818} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 17 and name HB3 )) ASSI { 2819} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 17 and name HG2 )) 2.300 0.700 0.700 peak 2819 weight 0.10000E+01 volume 0.58170E+04 ppm1 3.151 ppm2 1.688 ASSI { 2820} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 17 and name HG3 )) 2.400 0.700 0.700 peak 2820 weight 0.10000E+01 volume 0.45730E+04 ppm1 3.151 ppm2 1.578 ASSI { 2821} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HG3 )) 2.300 0.700 0.700 peak 2821 weight 0.10000E+01 volume 0.62340E+04 ppm1 3.278 ppm2 1.570 ASSI { 2822} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HG2 )) 2.300 0.700 0.700 peak 2822 weight 0.10000E+01 volume 0.71580E+04 ppm1 3.276 ppm2 1.688 ASSI { 2823} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 2823 weight 0.10000E+01 volume 0.39530E+04 ppm1 3.276 ppm2 1.856 OR { 2823} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HB3 )) ASSI { 2827} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 125 and name HD% ) 3.000 3.000 2.500 peak 2827 weight 0.10000E+01 volume 0.13910E+04 ppm1 2.403 ppm2 7.236 ASSI { 2828} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 125 and name HD% ) 2.700 0.900 0.900 peak 2828 weight 0.10000E+01 volume 0.23230E+04 ppm1 2.209 ppm2 7.229 ASSI { 2837} ( segid " " and resid 56 and name HD1%) ( segid " " and resid 43 and name HD% ) 2.300 0.700 0.700 peak 2837 weight 0.10000E+01 volume 0.65480E+04 ppm1 1.068 ppm2 7.193 ASSI { 2838} ( segid " " and resid 56 and name HD1%) ( segid " " and resid 63 and name HD% ) 2.500 0.800 0.800 peak 2838 weight 0.10000E+01 volume 0.38170E+04 ppm1 1.068 ppm2 6.962 ASSI { 2839} ( segid " " and resid 56 and name HD1%) ( segid " " and resid 63 and name HE% ) 2.600 0.800 0.800 peak 2839 weight 0.10000E+01 volume 0.34020E+04 ppm1 1.075 ppm2 6.754 ASSI { 2840} ( segid " " and resid 56 and name HD1%) ( segid " " and resid 43 and name HE% ) 2.200 0.600 0.600 peak 2840 weight 0.10000E+01 volume 0.92030E+04 ppm1 1.065 ppm2 6.520 ASSI { 2841} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HA )) 2.000 0.500 0.500 peak 2841 weight 0.10000E+01 volume 0.13720E+05 ppm1 1.064 ppm2 4.444 ASSI { 2842} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HE2 )) 2.600 0.800 0.800 peak 2842 weight 0.10000E+01 volume 0.28470E+04 ppm1 1.057 ppm2 2.804 OR { 2842} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HE3 )) ASSI { 2843} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HB2 )) 2.400 0.700 0.700 peak 2843 weight 0.10000E+01 volume 0.46470E+04 ppm1 1.057 ppm2 2.293 ASSI { 2844} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HG )) 2.100 0.600 0.600 peak 2844 weight 0.10000E+01 volume 0.98280E+04 ppm1 1.067 ppm2 1.899 ASSI { 2846} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HB3 )) 2.300 0.700 0.700 peak 2846 weight 0.10000E+01 volume 0.67810E+04 ppm1 1.134 ppm2 1.869 OR { 2846} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HB2 )) ASSI { 2862} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 2862 weight 0.10000E+01 volume 0.19420E+04 ppm1 3.263 ppm2 4.078 ASSI { 2863} (( segid " " and resid 17 and name HD3 )) (( segid " " and resid 17 and name HA )) 2.700 0.900 0.900 peak 2863 weight 0.10000E+01 volume 0.22380E+04 ppm1 3.152 ppm2 4.078 ASSI { 2871} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 2.200 0.600 0.600 peak 2871 weight 0.10000E+01 volume 0.78050E+04 ppm1 3.365 ppm2 2.826 ASSI { 2875} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HB2 )) 2.400 0.700 0.700 peak 2875 weight 0.10000E+01 volume 0.44820E+04 ppm1 2.021 ppm2 2.312 ASSI { 2876} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 43 and name HD% ) 2.500 0.800 0.800 peak 2876 weight 0.10000E+01 volume 0.40560E+04 ppm1 0.541 ppm2 7.193 ASSI { 2882} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 40 and name HE% ) 2.400 2.400 3.100 peak 2882 weight 0.10000E+01 volume 0.55920E+04 ppm1 0.977 ppm2 7.428 OR { 2882} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 40 and name HZ )) ASSI { 2884} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 43 and name HE% ) 2.700 2.700 2.800 peak 2884 weight 0.10000E+01 volume 0.24480E+04 ppm1 0.947 ppm2 6.538 ASSI { 2887} (( segid " " and resid 43 and name HA )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 2887 weight 0.10000E+01 volume 0.38510E+04 ppm1 4.616 ppm2 4.443 ASSI { 188} (( segid " " and resid 93 and name HZ2 )) (( segid " " and resid 93 and name HH2 )) 2.500 0.800 0.800 peak 188 weight 0.10000E+01 volume 0.12530E+04 ppm1 6.503 ppm2 6.952 ASSI { 189} (( segid " " and resid 93 and name HZ2 )) ( segid " " and resid 15 and name HD% ) 3.200 1.300 1.300 peak 189 weight 0.10000E+01 volume 0.25600E+03 ppm1 6.503 ppm2 7.162 ASSI { 190} (( segid " " and resid 93 and name HZ2 )) (( segid " " and resid 93 and name HZ3 )) 3.100 1.200 1.200 peak 190 weight 0.10000E+01 volume 0.32300E+03 ppm1 6.503 ppm2 7.557 ASSI { 191} (( segid " " and resid 93 and name HZ2 )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 191 weight 0.10000E+01 volume 0.76000E+03 ppm1 6.503 ppm2 3.624 ASSI { 199} (( segid " " and resid 88 and name HZ2 )) (( segid " " and resid 88 and name HH2 )) 2.300 0.700 0.700 peak 199 weight 0.10000E+01 volume 0.17750E+04 ppm1 6.914 ppm2 6.625 ASSI { 201} (( segid " " and resid 88 and name HZ2 )) (( segid " " and resid 88 and name HZ3 )) 3.200 1.300 1.300 peak 201 weight 0.10000E+01 volume 0.28600E+03 ppm1 6.914 ppm2 6.131 ASSI { 206} (( segid " " and resid 88 and name HZ2 )) ( segid " " and resid 18 and name HD1%) 3.000 1.100 1.100 peak 206 weight 0.10000E+01 volume 0.39800E+03 ppm1 6.934 ppm2 -0.153 ASSI { 208} (( segid " " and resid 75 and name HZ2 )) (( segid " " and resid 75 and name HH2 )) 2.300 0.700 0.700 peak 208 weight 0.10000E+01 volume 0.19820E+04 ppm1 7.294 ppm2 7.184 ASSI { 209} (( segid " " and resid 75 and name HZ2 )) (( segid " " and resid 75 and name HZ3 )) 2.900 2.900 2.600 peak 209 weight 0.10000E+01 volume 0.52400E+03 ppm1 7.294 ppm2 7.061 ASSI { 212} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 30 and name HE% ) 2.100 0.600 0.600 peak 212 weight 0.10000E+01 volume 0.37940E+04 ppm1 7.623 ppm2 6.982 ASSI { 213} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 27 and name HA )) 2.700 0.900 0.900 peak 213 weight 0.10000E+01 volume 0.73900E+03 ppm1 7.626 ppm2 3.771 ASSI { 218} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 33 and name HD1%) 2.900 2.900 2.600 peak 218 weight 0.10000E+01 volume 0.46500E+03 ppm1 6.528 ppm2 0.703 ASSI { 223} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 43 and name HD% ) 2.100 0.600 0.600 peak 223 weight 0.10000E+01 volume 0.34180E+04 ppm1 6.527 ppm2 7.193 ASSI { 229} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HB2 )) 3.100 3.100 2.400 peak 229 weight 0.10000E+01 volume 0.34800E+03 ppm1 6.534 ppm2 3.185 ASSI { 230} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HB3 )) 3.100 3.100 2.400 peak 230 weight 0.10000E+01 volume 0.35200E+03 ppm1 6.535 ppm2 2.931 ASSI { 234} ( segid " " and resid 15 and name HD% ) (( segid " " and resid 15 and name HB2 )) 2.400 0.700 0.700 peak 234 weight 0.10000E+01 volume 0.16440E+04 ppm1 7.180 ppm2 3.202 ASSI { 237} ( segid " " and resid 43 and name HD% ) (( segid " " and resid 56 and name HA )) 2.400 0.700 0.700 peak 237 weight 0.10000E+01 volume 0.15540E+04 ppm1 7.189 ppm2 4.450 ASSI { 240} ( segid " " and resid 15 and name HD% ) (( segid " " and resid 72 and name HD2 )) 2.700 0.900 0.900 peak 240 weight 0.10000E+01 volume 0.76300E+03 ppm1 7.169 ppm2 1.275 OR { 240} ( segid " " and resid 15 and name HD% ) (( segid " " and resid 72 and name HD3 )) ASSI { 249} ( segid " " and resid 15 and name HE% ) ( segid " " and resid 15 and name HD% ) 2.200 0.600 0.600 peak 249 weight 0.10000E+01 volume 0.29240E+04 ppm1 6.665 ppm2 7.162 ASSI { 250} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 93 and name HZ3 )) 3.000 1.100 1.100 peak 250 weight 0.10000E+01 volume 0.40800E+03 ppm1 6.664 ppm2 7.567 ASSI { 251} ( segid " " and resid 15 and name HD% ) (( segid " " and resid 93 and name HZ3 )) 3.000 1.100 1.100 peak 251 weight 0.10000E+01 volume 0.37100E+03 ppm1 7.168 ppm2 7.567 ASSI { 264} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 103 and name HE1 )) 2.600 0.800 0.800 peak 264 weight 0.10000E+01 volume 0.10560E+04 ppm1 7.635 ppm2 7.497 ASSI { 265} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 88 and name HZ3 )) 3.100 1.200 1.200 peak 265 weight 0.10000E+01 volume 0.30600E+03 ppm1 7.630 ppm2 6.136 ASSI { 268} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 93 and name HB2 )) 2.800 1.000 1.000 peak 268 weight 0.10000E+01 volume 0.67300E+03 ppm1 7.636 ppm2 3.441 ASSI { 270} (( segid " " and resid 93 and name HD1 )) ( segid " " and resid 102 and name HD2%) 3.100 1.200 1.200 peak 270 weight 0.10000E+01 volume 0.31800E+03 ppm1 7.635 ppm2 0.163 ASSI { 272} (( segid " " and resid 75 and name HE3 )) (( segid " " and resid 75 and name HZ3 )) 2.500 0.800 0.800 peak 272 weight 0.10000E+01 volume 0.11630E+04 ppm1 7.568 ppm2 7.055 ASSI { 284} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 29 and name HE% ) 2.000 0.500 0.500 peak 284 weight 0.10000E+01 volume 0.43170E+04 ppm1 6.489 ppm2 6.757 ASSI { 286} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 30 and name HE% ) 3.000 1.100 1.100 peak 286 weight 0.10000E+01 volume 0.43700E+03 ppm1 6.489 ppm2 6.993 ASSI { 292} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 26 and name HD2%) 2.900 1.100 1.100 peak 292 weight 0.10000E+01 volume 0.46300E+03 ppm1 6.488 ppm2 0.412 ASSI { 293} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 33 and name HD2%) 2.700 0.900 0.900 peak 293 weight 0.10000E+01 volume 0.83500E+03 ppm1 6.488 ppm2 0.574 ASSI { 295} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 123 and name HD1%) 2.500 2.500 3.000 peak 295 weight 0.10000E+01 volume 0.11020E+04 ppm1 6.488 ppm2 0.760 ASSI { 302} ( segid " " and resid 86 and name HD% ) ( segid " " and resid 102 and name HD1%) 3.000 3.000 2.500 peak 302 weight 0.10000E+01 volume 0.41200E+03 ppm1 6.971 ppm2 0.222 ASSI { 303} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 60 and name HD1%) 2.700 0.900 0.900 peak 303 weight 0.10000E+01 volume 0.72900E+03 ppm1 6.964 ppm2 1.060 ASSI { 304} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 60 and name HD2%) 2.500 2.500 3.000 peak 304 weight 0.10000E+01 volume 0.11850E+04 ppm1 6.964 ppm2 0.976 ASSI { 305} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 106 and name HD1%) 3.000 1.100 1.100 peak 305 weight 0.10000E+01 volume 0.37500E+03 ppm1 6.964 ppm2 0.553 ASSI { 309} ( segid " " and resid 86 and name HD% ) (( segid " " and resid 84 and name HB2 )) 3.200 1.300 1.300 peak 309 weight 0.10000E+01 volume 0.29800E+03 ppm1 6.964 ppm2 1.424 ASSI { 315} ( segid " " and resid 86 and name HD% ) ( segid " " and resid 86 and name HE% ) 2.300 0.700 0.700 peak 315 weight 0.10000E+01 volume 0.20500E+04 ppm1 6.982 ppm2 6.787 ASSI { 320} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 79 and name HD2 )) 3.100 1.200 1.200 peak 320 weight 0.10000E+01 volume 0.35500E+03 ppm1 6.959 ppm2 2.660 ASSI { 321} ( segid " " and resid 86 and name HD% ) (( segid " " and resid 93 and name HB3 )) 3.000 3.000 2.500 peak 321 weight 0.10000E+01 volume 0.37900E+03 ppm1 6.983 ppm2 3.194 ASSI { 351} (( segid " " and resid 88 and name HH2 )) (( segid " " and resid 125 and name HB3 )) 3.000 1.100 1.100 peak 351 weight 0.10000E+01 volume 0.39700E+03 ppm1 6.609 ppm2 3.585 ASSI { 360} (( segid " " and resid 93 and name HE3 )) (( segid " " and resid 93 and name HB2 )) 3.100 1.200 1.200 peak 360 weight 0.10000E+01 volume 0.33500E+03 ppm1 7.599 ppm2 3.425 ASSI { 365} (( segid " " and resid 93 and name HZ3 )) (( segid " " and resid 93 and name HH2 )) 2.800 1.000 1.000 peak 365 weight 0.10000E+01 volume 0.59200E+03 ppm1 7.545 ppm2 6.959 ASSI { 368} (( segid " " and resid 88 and name HE3 )) (( segid " " and resid 88 and name HZ3 )) 2.800 1.000 1.000 peak 368 weight 0.10000E+01 volume 0.55600E+03 ppm1 5.076 ppm2 6.126 ASSI { 380} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HZ )) 2.100 0.600 0.600 peak 380 weight 0.10000E+01 volume 0.34580E+04 ppm1 6.986 ppm2 6.778 ASSI { 387} (( segid " " and resid 29 and name HZ )) ( segid " " and resid 29 and name HE% ) 2.100 0.600 0.600 peak 387 weight 0.10000E+01 volume 0.33530E+04 ppm1 6.866 ppm2 6.761 ASSI { 388} (( segid " " and resid 29 and name HZ )) ( segid " " and resid 29 and name HD% ) 2.800 1.000 1.000 peak 388 weight 0.10000E+01 volume 0.65400E+03 ppm1 6.866 ppm2 6.485 ASSI { 393} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 118 and name HD2%) 2.500 0.800 0.800 peak 393 weight 0.10000E+01 volume 0.11070E+04 ppm1 6.757 ppm2 0.864 OR { 393} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 118 and name HD1%) ASSI { 402} (( segid " " and resid 29 and name HZ )) (( segid " " and resid 118 and name HB2 )) 3.300 1.400 1.400 peak 402 weight 0.10000E+01 volume 0.23100E+03 ppm1 6.866 ppm2 1.549 ASSI { 403} (( segid " " and resid 29 and name HZ )) ( segid " " and resid 118 and name HD1%) 2.600 2.600 2.900 peak 403 weight 0.10000E+01 volume 0.98500E+03 ppm1 6.866 ppm2 0.859 OR { 403} (( segid " " and resid 29 and name HZ )) ( segid " " and resid 118 and name HD2%) ASSI { 404} (( segid " " and resid 29 and name HZ )) (( segid " " and resid 118 and name HG )) 2.900 1.100 1.100 peak 404 weight 0.10000E+01 volume 0.54300E+03 ppm1 6.866 ppm2 0.790 ASSI { 406} (( segid " " and resid 29 and name HZ )) ( segid " " and resid 33 and name HD2%) 2.900 1.100 1.100 peak 406 weight 0.10000E+01 volume 0.45500E+03 ppm1 6.866 ppm2 0.597 ASSI { 415} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD1%) 2.200 0.600 0.600 peak 415 weight 0.10000E+01 volume 0.29080E+04 ppm1 7.614 ppm2 0.695 ASSI { 418} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HB3 )) 2.800 1.000 1.000 peak 418 weight 0.10000E+01 volume 0.59000E+03 ppm1 7.623 ppm2 1.195 ASSI { 423} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 106 and name HD2%) 2.600 2.600 2.900 peak 423 weight 0.10000E+01 volume 0.94500E+03 ppm1 6.981 ppm2 0.468 ASSI { 424} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 106 and name HD1%) 2.600 2.600 2.900 peak 424 weight 0.10000E+01 volume 0.10350E+04 ppm1 6.981 ppm2 0.541 ASSI { 431} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 26 and name HB3 )) 3.000 1.100 1.100 peak 431 weight 0.10000E+01 volume 0.41900E+03 ppm1 6.983 ppm2 1.177 ASSI { 432} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 120 and name HD2%) 3.200 1.300 1.300 peak 432 weight 0.10000E+01 volume 0.30100E+03 ppm1 6.993 ppm2 0.184 ASSI { 435} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 435 weight 0.10000E+01 volume 0.29800E+03 ppm1 6.787 ppm2 7.624 ASSI { 436} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 29 and name HD% ) 3.200 1.300 1.300 peak 436 weight 0.10000E+01 volume 0.25600E+03 ppm1 6.775 ppm2 6.487 ASSI { 439} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 106 and name HD1%) 2.600 0.800 0.800 peak 439 weight 0.10000E+01 volume 0.94100E+03 ppm1 6.787 ppm2 0.546 ASSI { 440} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 106 and name HD2%) 2.900 1.100 1.100 peak 440 weight 0.10000E+01 volume 0.50200E+03 ppm1 6.787 ppm2 0.474 ASSI { 445} ( segid " " and resid 38 and name HD% ) ( segid " " and resid 38 and name HE% ) 1.900 0.500 0.500 peak 445 weight 0.10000E+01 volume 0.68370E+04 ppm1 6.909 ppm2 6.681 ASSI { 450} ( segid " " and resid 38 and name HD% ) (( segid " " and resid 37 and name HD2 )) 3.100 1.200 1.200 peak 450 weight 0.10000E+01 volume 0.30700E+03 ppm1 6.909 ppm2 3.704 ASSI { 459} ( segid " " and resid 38 and name HD% ) (( segid " " and resid 33 and name HB3 )) 3.300 1.400 1.400 peak 459 weight 0.10000E+01 volume 0.24300E+03 ppm1 6.909 ppm2 1.236 ASSI { 462} ( segid " " and resid 38 and name HD% ) ( segid " " and resid 118 and name HD1%) 3.100 3.100 2.400 peak 462 weight 0.10000E+01 volume 0.31500E+03 ppm1 6.909 ppm2 0.859 OR { 462} ( segid " " and resid 38 and name HD% ) ( segid " " and resid 118 and name HD2%) ASSI { 465} ( segid " " and resid 38 and name HD% ) ( segid " " and resid 33 and name HD2%) 3.000 3.000 2.500 peak 465 weight 0.10000E+01 volume 0.44500E+03 ppm1 6.909 ppm2 0.597 ASSI { 486} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 33 and name HA )) 3.200 1.300 1.300 peak 486 weight 0.10000E+01 volume 0.29200E+03 ppm1 6.691 ppm2 3.818 ASSI { 489} ( segid " " and resid 38 and name HE% ) ( segid " " and resid 39 and name HG2%) 2.500 0.800 0.800 peak 489 weight 0.10000E+01 volume 0.11290E+04 ppm1 6.684 ppm2 0.537 ASSI { 493} ( segid " " and resid 38 and name HE% ) ( segid " " and resid 118 and name HD1%) 2.600 0.800 0.800 peak 493 weight 0.10000E+01 volume 0.95700E+03 ppm1 6.678 ppm2 0.867 OR { 493} ( segid " " and resid 38 and name HE% ) ( segid " " and resid 118 and name HD2%) ASSI { 495} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 33 and name HB3 )) 3.000 3.000 2.500 peak 495 weight 0.10000E+01 volume 0.43400E+03 ppm1 6.690 ppm2 1.207 ASSI { 499} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 33 and name HB2 )) 2.800 1.000 1.000 peak 499 weight 0.10000E+01 volume 0.63600E+03 ppm1 6.671 ppm2 1.582 ASSI { 500} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 500 weight 0.10000E+01 volume 0.42400E+03 ppm1 6.671 ppm2 1.691 OR { 500} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 72 and name HB3 )) ASSI { 502} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 502 weight 0.10000E+01 volume 0.37000E+03 ppm1 6.662 ppm2 1.918 OR { 502} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 67 and name HB3 )) ASSI { 510} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HA )) 2.500 0.800 0.800 peak 510 weight 0.10000E+01 volume 0.12180E+04 ppm1 7.419 ppm2 4.770 ASSI { 547} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 63 and name HD% ) 2.000 0.500 0.500 peak 547 weight 0.10000E+01 volume 0.41470E+04 ppm1 6.758 ppm2 6.959 ASSI { 548} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 63 and name HB2 )) 3.000 3.000 2.500 peak 548 weight 0.10000E+01 volume 0.39600E+03 ppm1 6.755 ppm2 2.769 ASSI { 549} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 63 and name HB3 )) 2.800 2.800 2.700 peak 549 weight 0.10000E+01 volume 0.63100E+03 ppm1 6.755 ppm2 2.497 ASSI { 554} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 110 and name HD2%) 2.600 2.600 2.900 peak 554 weight 0.10000E+01 volume 0.95200E+03 ppm1 6.749 ppm2 0.878 ASSI { 555} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 106 and name HD1%) 2.600 0.800 0.800 peak 555 weight 0.10000E+01 volume 0.99100E+03 ppm1 6.759 ppm2 0.547 ASSI { 556} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 556 weight 0.10000E+01 volume 0.58300E+03 ppm1 6.753 ppm2 4.838 ASSI { 559} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 79 and name HD2 )) 3.100 1.200 1.200 peak 559 weight 0.10000E+01 volume 0.34200E+03 ppm1 6.752 ppm2 2.658 ASSI { 562} ( segid " " and resid 95 and name HD% ) ( segid " " and resid 95 and name HE% ) 2.000 0.500 0.500 peak 562 weight 0.10000E+01 volume 0.47830E+04 ppm1 7.675 ppm2 6.967 ASSI { 582} ( segid " " and resid 125 and name HD% ) ( segid " " and resid 125 and name HE% ) 2.100 0.600 0.600 peak 582 weight 0.10000E+01 volume 0.31530E+04 ppm1 7.237 ppm2 6.961 ASSI { 585} ( segid " " and resid 125 and name HD% ) ( segid " " and resid 18 and name HD1%) 3.100 1.200 1.200 peak 585 weight 0.10000E+01 volume 0.34900E+03 ppm1 7.234 ppm2 -0.157 ASSI { 588} ( segid " " and resid 95 and name HE% ) (( segid " " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 588 weight 0.10000E+01 volume 0.17070E+04 ppm1 6.953 ppm2 2.391 ASSI { 589} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 21 and name HB3 )) 2.500 0.800 0.800 peak 589 weight 0.10000E+01 volume 0.11390E+04 ppm1 6.953 ppm2 2.202 ASSI { 590} ( segid " " and resid 95 and name HE% ) (( segid " " and resid 97 and name HB3 )) 2.700 0.900 0.900 peak 590 weight 0.10000E+01 volume 0.75700E+03 ppm1 6.953 ppm2 2.131 ASSI { 596} ( segid " " and resid 95 and name HE% ) (( segid " " and resid 84 and name HA )) 2.900 2.900 2.600 peak 596 weight 0.10000E+01 volume 0.47200E+03 ppm1 6.967 ppm2 3.970 ASSI { 598} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 125 and name HB2 )) 2.900 2.900 2.600 peak 598 weight 0.10000E+01 volume 0.53800E+03 ppm1 6.958 ppm2 3.572 OR { 598} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 125 and name HB3 )) ASSI { 611} (( segid " " and resid 88 and name HH2 )) ( segid " " and resid 125 and name HD% ) 2.700 0.900 0.900 peak 611 weight 0.10000E+01 volume 0.76400E+03 ppm1 6.613 ppm2 7.230 ASSI { 612} (( segid " " and resid 88 and name HH2 )) (( segid " " and resid 88 and name HZ3 )) 2.600 0.800 0.800 peak 612 weight 0.10000E+01 volume 0.93300E+03 ppm1 6.613 ppm2 6.132 ASSI { 616} (( segid " " and resid 75 and name HH2 )) (( segid " " and resid 75 and name HZ3 )) 2.300 0.700 0.700 peak 616 weight 0.10000E+01 volume 0.17830E+04 ppm1 7.186 ppm2 7.058 ASSI { 620} (( segid " " and resid 93 and name HE3 )) (( segid " " and resid 88 and name HA )) 3.100 1.200 1.200 peak 620 weight 0.10000E+01 volume 0.34800E+03 ppm1 7.609 ppm2 4.735 ASSI { 621} (( segid " " and resid 93 and name HH2 )) ( segid " " and resid 15 and name HD% ) 2.800 1.000 1.000 peak 621 weight 0.10000E+01 volume 0.58200E+03 ppm1 6.949 ppm2 7.166 ASSI { 623} (( segid " " and resid 93 and name HH2 )) ( segid " " and resid 15 and name HE% ) 2.800 1.000 1.000 peak 623 weight 0.10000E+01 volume 0.59500E+03 ppm1 6.949 ppm2 6.656 ASSI { 633} ( segid " " and resid 47 and name HD% ) ( segid " " and resid 52 and name HD1%) 2.800 2.800 2.700 peak 633 weight 0.10000E+01 volume 0.68000E+03 ppm1 7.236 ppm2 0.705 OR { 633} ( segid " " and resid 47 and name HD% ) ( segid " " and resid 52 and name HD2%) ASSI { 636} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 52 and name HG )) 2.900 2.900 2.600 peak 636 weight 0.10000E+01 volume 0.45300E+03 ppm1 7.239 ppm2 1.211 OR { 636} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 52 and name HB3 )) ASSI { 648} (( segid " " and resid 93 and name HD1 )) (( segid " " and resid 93 and name HB3 )) 3.200 1.300 1.300 peak 648 weight 0.10000E+01 volume 0.28500E+03 ppm1 7.644 ppm2 3.221 ASSI { 655} (( segid " " and resid 88 and name HD1 )) (( segid " " and resid 88 and name HB2 )) 2.900 1.100 1.100 peak 655 weight 0.10000E+01 volume 0.54600E+03 ppm1 6.934 ppm2 2.981 ASSI { 668} (( segid " " and resid 103 and name HD2 )) ( segid " " and resid 26 and name HD2%) 2.700 0.900 0.900 peak 668 weight 0.10000E+01 volume 0.69800E+03 ppm1 6.978 ppm2 0.422 ASSI { 669} (( segid " " and resid 103 and name HD2 )) ( segid " " and resid 102 and name HD2%) 2.700 0.900 0.900 peak 669 weight 0.10000E+01 volume 0.77500E+03 ppm1 6.978 ppm2 0.187 ASSI { 677} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 123 and name HB3 )) 2.700 2.700 2.800 peak 677 weight 0.10000E+01 volume 0.80000E+03 ppm1 6.973 ppm2 1.589 OR { 677} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 123 and name HG )) ASSI { 683} ( segid " " and resid 86 and name HE% ) ( segid " " and resid 76 and name HD2%) 2.500 0.800 0.800 peak 683 weight 0.10000E+01 volume 0.12450E+04 ppm1 6.800 ppm2 0.999 ASSI { 685} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 47 and name HA )) 2.400 0.700 0.700 peak 685 weight 0.10000E+01 volume 0.14780E+04 ppm1 7.235 ppm2 5.952 ASSI { 686} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 686 weight 0.10000E+01 volume 0.62800E+03 ppm1 7.235 ppm2 5.336 ASSI { 693} (( segid " " and resid 97 and name HD2 )) (( segid " " and resid 97 and name HB2 )) 3.000 1.100 1.100 peak 693 weight 0.10000E+01 volume 0.42400E+03 ppm1 6.918 ppm2 2.393 ASSI { 694} (( segid " " and resid 97 and name HD2 )) (( segid " " and resid 97 and name HB3 )) 2.900 1.100 1.100 peak 694 weight 0.10000E+01 volume 0.52100E+03 ppm1 6.918 ppm2 2.128 ASSI { 695} (( segid " " and resid 40 and name HZ )) (( segid " " and resid 60 and name HG )) 3.000 1.100 1.100 peak 695 weight 0.10000E+01 volume 0.40900E+03 ppm1 7.437 ppm2 1.957 OR { 695} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 60 and name HG )) ASSI { 175} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 175 weight 0.10000E+01 volume 0.22170E+05 ppm1 9.607 ppm2 2.110 OR { 175} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB )) ASSI { 235} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB3 )) 2.700 0.900 0.900 peak 235 weight 0.10000E+01 volume 0.18090E+05 ppm1 8.276 ppm2 3.869 OR { 235} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) ASSI { 248} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HB% ) 1.900 0.500 0.500 peak 248 weight 0.10000E+01 volume 0.13690E+06 ppm1 7.971 ppm2 1.625 OR { 248} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HB% ) ASSI { 296} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.400 1.400 1.400 peak 296 weight 0.10000E+01 volume 0.45900E+04 ppm1 7.363 ppm2 1.242 OR { 296} (( segid " " and resid 17 and name HN )) ( segid " " and resid 13 and name HG2%) ASSI { 299} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.100 1.200 1.200 peak 299 weight 0.10000E+01 volume 0.88050E+04 ppm1 7.350 ppm2 3.850 OR { 299} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 395} (( segid " " and resid 28 and name HN )) ( segid " " and resid 52 and name HD2%) 3.200 1.300 1.300 peak 395 weight 0.10000E+01 volume 0.64110E+04 ppm1 7.751 ppm2 0.729 OR { 395} (( segid " " and resid 28 and name HN )) ( segid " " and resid 52 and name HD1%) OR { 395} (( segid " " and resid 28 and name HN )) ( segid " " and resid 123 and name HD1%) ASSI { 407} (( segid " " and resid 29 and name HN )) ( segid " " and resid 123 and name HD2%) 3.100 3.100 2.400 peak 407 weight 0.10000E+01 volume 0.83050E+04 ppm1 7.643 ppm2 0.550 OR { 407} (( segid " " and resid 29 and name HN )) ( segid " " and resid 26 and name HD1%) ASSI { 413} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.300 0.700 0.700 peak 413 weight 0.10000E+01 volume 0.46470E+05 ppm1 8.781 ppm2 7.627 OR { 413} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HD% ) ASSI { 414} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 414 weight 0.10000E+01 volume 0.89530E+04 ppm1 8.781 ppm2 7.760 OR { 414} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HN )) ASSI { 418} (( segid " " and resid 30 and name HN )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 418 weight 0.10000E+01 volume 0.91000E+04 ppm1 8.781 ppm2 4.007 OR { 418} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 420} (( segid " " and resid 30 and name HN )) ( segid " " and resid 45 and name HG1%) 3.200 1.300 1.300 peak 420 weight 0.10000E+01 volume 0.61940E+04 ppm1 8.780 ppm2 0.832 OR { 420} (( segid " " and resid 30 and name HN )) ( segid " " and resid 27 and name HB% ) ASSI { 421} (( segid " " and resid 30 and name HN )) ( segid " " and resid 123 and name HD2%) 3.400 3.400 2.100 peak 421 weight 0.10000E+01 volume 0.50290E+04 ppm1 8.780 ppm2 0.551 OR { 421} (( segid " " and resid 30 and name HN )) ( segid " " and resid 26 and name HD1%) ASSI { 455} (( segid " " and resid 33 and name HN )) ( segid " " and resid 43 and name HE% ) 3.300 1.400 1.400 peak 455 weight 0.10000E+01 volume 0.57760E+04 ppm1 7.223 ppm2 6.507 OR { 455} (( segid " " and resid 33 and name HN )) ( segid " " and resid 29 and name HD% ) ASSI { 481} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HD% ) 2.900 2.900 2.600 peak 481 weight 0.10000E+01 volume 0.11120E+05 ppm1 7.007 ppm2 6.894 OR { 481} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 495} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD% ) 2.200 0.600 0.600 peak 495 weight 0.10000E+01 volume 0.58630E+05 ppm1 5.893 ppm2 6.889 OR { 495} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 534} (( segid " " and resid 43 and name HN )) (( segid " " and resid 56 and name HA )) 3.300 3.300 2.200 peak 534 weight 0.10000E+01 volume 0.51580E+04 ppm1 7.275 ppm2 4.446 OR { 534} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 575} (( segid " " and resid 47 and name HN )) ( segid " " and resid 45 and name HG1%) 3.400 1.400 1.400 peak 575 weight 0.10000E+01 volume 0.43630E+04 ppm1 9.014 ppm2 0.860 OR { 575} (( segid " " and resid 47 and name HN )) ( segid " " and resid 27 and name HB% ) ASSI { 619} (( segid " " and resid 54 and name HN )) ( segid " " and resid 62 and name HG2%) 2.500 0.800 0.800 peak 619 weight 0.10000E+01 volume 0.27090E+05 ppm1 9.169 ppm2 0.899 OR { 619} (( segid " " and resid 54 and name HN )) ( segid " " and resid 64 and name HG2%) ASSI { 625} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 3.300 1.400 1.400 peak 625 weight 0.10000E+01 volume 0.57040E+04 ppm1 9.169 ppm2 8.872 OR { 625} (( segid " " and resid 54 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 632} (( segid " " and resid 55 and name HN )) ( segid " " and resid 53 and name HG2%) 3.400 1.400 1.400 peak 632 weight 0.10000E+01 volume 0.45840E+04 ppm1 8.899 ppm2 1.042 OR { 632} (( segid " " and resid 55 and name HN )) ( segid " " and resid 56 and name HD1%) ASSI { 644} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.400 0.700 0.700 peak 644 weight 0.10000E+01 volume 0.39040E+05 ppm1 7.575 ppm2 4.428 OR { 644} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 696} (( segid " " and resid 63 and name HN )) ( segid " " and resid 53 and name HG2%) 3.100 1.200 1.200 peak 696 weight 0.10000E+01 volume 0.80440E+04 ppm1 9.334 ppm2 1.009 OR { 696} (( segid " " and resid 63 and name HN )) ( segid " " and resid 60 and name HD1%) OR { 696} (( segid " " and resid 63 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 731} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD% ) 2.500 0.800 0.800 peak 731 weight 0.10000E+01 volume 0.27700E+05 ppm1 9.603 ppm2 6.971 OR { 731} (( segid " " and resid 94 and name HN )) ( segid " " and resid 86 and name HD% ) ASSI { 753} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.300 1.400 1.400 peak 753 weight 0.10000E+01 volume 0.57840E+04 ppm1 8.443 ppm2 9.610 OR { 753} (( segid " " and resid 67 and name HN )) (( segid " " and resid 52 and name HN )) ASSI { 775} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HG2 )) 3.300 1.400 1.400 peak 775 weight 0.10000E+01 volume 0.51980E+04 ppm1 7.037 ppm2 1.255 OR { 775} (( segid " " and resid 71 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 795} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG3 )) 2.800 1.000 1.000 peak 795 weight 0.10000E+01 volume 0.13770E+05 ppm1 7.908 ppm2 0.841 OR { 795} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG2 )) OR { 795} (( segid " " and resid 111 and name HN )) ( segid " " and resid 118 and name HD2%) ASSI { 864} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB3 )) 3.100 1.200 1.200 peak 864 weight 0.10000E+01 volume 0.75670E+04 ppm1 7.941 ppm2 3.581 OR { 864} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HD3 )) ASSI { 930} (( segid " " and resid 66 and name HN )) ( segid " " and resid 76 and name HD1%) 3.400 1.400 1.400 peak 930 weight 0.10000E+01 volume 0.44190E+04 ppm1 9.610 ppm2 0.973 OR { 930} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG13)) OR { 930} (( segid " " and resid 86 and name HN )) ( segid " " and resid 76 and name HD2%) OR { 930} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HD2 )) ASSI { 982} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB )) 2.300 0.700 0.700 peak 982 weight 0.10000E+01 volume 0.49300E+05 ppm1 8.699 ppm2 2.450 OR { 982} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HB3 )) ASSI { 1068} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.200 1.300 1.300 peak 1068 weight 0.10000E+01 volume 0.65640E+04 ppm1 8.911 ppm2 1.927 OR { 1068} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HB3 )) OR { 1068} (( segid " " and resid 109 and name HN )) (( segid " " and resid 105 and name HB3 )) ASSI { 1093} (( segid " " and resid 112 and name HN )) (( segid " " and resid 108 and name HA )) 2.800 1.000 1.000 peak 1093 weight 0.10000E+01 volume 0.15360E+05 ppm1 7.058 ppm2 4.186 OR { 1093} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 1099} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 2.500 0.800 0.800 peak 1099 weight 0.10000E+01 volume 0.33450E+05 ppm1 7.923 ppm2 7.045 OR { 1099} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) ASSI { 1257} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB )) 2.100 0.600 0.600 peak 1257 weight 0.10000E+01 volume 0.78080E+05 ppm1 8.255 ppm2 4.196 OR { 1257} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 1303} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HG3 )) 3.200 1.300 1.300 peak 1303 weight 0.10000E+01 volume 0.73620E+04 ppm1 8.158 ppm2 2.119 OR { 1303} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 1303} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 1314} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HG )) 2.700 2.700 2.800 peak 1314 weight 0.10000E+01 volume 0.19590E+05 ppm1 8.679 ppm2 1.750 OR { 1314} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HD2 )) ASSI { 1336} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1336 weight 0.10000E+01 volume 0.57720E+05 ppm1 7.973 ppm2 4.205 OR { 1336} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) ASSI { 1349} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 1349 weight 0.10000E+01 volume 0.10410E+05 ppm1 9.898 ppm2 3.593 OR { 1349} (( segid " " and resid 93 and name HE1 )) (( segid " " and resid 125 and name HB2 )) ASSI { 1405} (( segid " " and resid 73 and name HN )) (( segid " " and resid 68 and name HG2 )) 3.700 1.700 1.700 peak 1405 weight 0.10000E+01 volume 0.28510E+04 ppm1 7.134 ppm2 1.263 OR { 1405} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD3 )) OR { 1405} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD2 )) ASSI { 47} (( segid " " and resid 92 and name HB3 )) (( segid " " and resid 92 and name HA )) 2.100 0.600 0.600 peak 47 weight 0.10000E+01 volume 0.10750E+05 ppm1 2.805 ppm2 4.575 OR { 47} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HA )) ASSI { 176} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 2.500 2.500 3.000 peak 176 weight 0.10000E+01 volume 0.41520E+04 ppm1 4.574 ppm2 1.644 OR { 176} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD3 )) OR { 176} (( segid " " and resid 38 and name HA )) (( segid " " and resid 37 and name HG2 )) ASSI { 179} (( segid " " and resid 55 and name HA )) ( segid " " and resid 56 and name HD1%) 2.800 1.000 1.000 peak 179 weight 0.10000E+01 volume 0.18320E+04 ppm1 4.574 ppm2 1.045 OR { 179} (( segid " " and resid 55 and name HA )) ( segid " " and resid 53 and name HG2%) ASSI { 213} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG13)) 2.500 0.800 0.800 peak 213 weight 0.10000E+01 volume 0.35390E+04 ppm1 5.240 ppm2 0.997 OR { 213} (( segid " " and resid 65 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 214} (( segid " " and resid 65 and name HA )) ( segid " " and resid 65 and name HD1%) 2.800 1.000 1.000 peak 214 weight 0.10000E+01 volume 0.18880E+04 ppm1 5.240 ppm2 0.731 OR { 214} (( segid " " and resid 65 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 328} (( segid " " and resid 117 and name HA )) ( segid " " and resid 111 and name HG2%) 1.900 0.500 0.500 peak 328 weight 0.10000E+01 volume 0.20730E+05 ppm1 4.105 ppm2 1.137 OR { 328} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HG2 )) ASSI { 358} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 30 and name HB3 )) 2.600 0.800 0.800 peak 358 weight 0.10000E+01 volume 0.29400E+04 ppm1 -0.185 ppm2 2.787 OR { 358} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 63 and name HB2 )) ASSI { 526} (( segid " " and resid 63 and name HA )) ( segid " " and resid 56 and name HD2%) 2.700 0.900 0.900 peak 526 weight 0.10000E+01 volume 0.22210E+04 ppm1 4.992 ppm2 0.908 OR { 526} (( segid " " and resid 63 and name HA )) ( segid " " and resid 64 and name HG2%) OR { 526} (( segid " " and resid 63 and name HA )) ( segid " " and resid 62 and name HG2%) ASSI { 559} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 559 weight 0.10000E+01 volume 0.17750E+04 ppm1 4.747 ppm2 2.136 OR { 559} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB2 )) OR { 559} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB3 )) OR { 559} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 561} (( segid " " and resid 104 and name HG3 )) ( segid " " and resid 100 and name HG1%) 2.200 0.600 0.600 peak 561 weight 0.10000E+01 volume 0.93620E+04 ppm1 2.353 ppm2 1.267 OR { 561} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 100 and name HG1%) OR { 561} (( segid " " and resid 12 and name HG3 )) ( segid " " and resid 69 and name HG2%) ASSI { 615} (( segid " " and resid 17 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.300 2.300 3.200 peak 615 weight 0.10000E+01 volume 0.63950E+04 ppm1 4.080 ppm2 2.392 OR { 615} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HG3 )) OR { 615} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HG2 )) ASSI { 633} (( segid " " and resid 18 and name HA )) ( segid " " and resid 14 and name HG2%) 2.800 2.800 2.700 peak 633 weight 0.10000E+01 volume 0.17920E+04 ppm1 3.713 ppm2 1.120 OR { 633} (( segid " " and resid 18 and name HA )) ( segid " " and resid 22 and name HG2%) ASSI { 655} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 93 and name HH2 )) 2.900 1.100 1.100 peak 655 weight 0.10000E+01 volume 0.14620E+04 ppm1 0.461 ppm2 6.966 OR { 655} (( segid " " and resid 18 and name HB3 )) ( segid " " and resid 125 and name HE% ) ASSI { 686} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 686 weight 0.10000E+01 volume 0.17860E+04 ppm1 0.753 ppm2 4.090 OR { 686} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 50 and name HA1 )) ASSI { 699} (( segid " " and resid 20 and name HA )) ( segid " " and resid 23 and name HD1%) 2.400 2.400 3.100 peak 699 weight 0.10000E+01 volume 0.55190E+04 ppm1 3.955 ppm2 0.737 OR { 699} (( segid " " and resid 20 and name HA )) ( segid " " and resid 19 and name HB% ) ASSI { 741} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HB3 )) 2.600 0.800 0.800 peak 741 weight 0.10000E+01 volume 0.31080E+04 ppm1 3.834 ppm2 1.202 OR { 741} (( segid " " and resid 23 and name HA )) (( segid " " and resid 52 and name HB3 )) ASSI { 805} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 805 weight 0.10000E+01 volume 0.80320E+04 ppm1 0.427 ppm2 0.698 OR { 805} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 65 and name HG2%) ASSI { 822} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 822 weight 0.10000E+01 volume 0.26140E+04 ppm1 0.413 ppm2 3.829 OR { 822} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 106 and name HA )) ASSI { 830} ( segid " " and resid 120 and name HD1%) ( segid " " and resid 29 and name HD% ) 2.500 2.500 3.000 peak 830 weight 0.10000E+01 volume 0.35330E+04 ppm1 0.424 ppm2 6.492 OR { 830} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 29 and name HD% ) ASSI { 836} (( segid " " and resid 107 and name HA )) (( segid " " and resid 118 and name HG )) 2.500 2.500 3.000 peak 836 weight 0.10000E+01 volume 0.37600E+04 ppm1 3.755 ppm2 0.793 OR { 836} (( segid " " and resid 27 and name HA )) ( segid " " and resid 45 and name HG2%) ASSI { 852} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 109 and name HB2 )) 1.700 0.400 0.500 peak 852 weight 0.10000E+01 volume 0.44280E+05 ppm1 2.144 ppm2 2.324 OR { 852} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HG2 )) ASSI { 854} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 69 and name HG2%) 2.400 2.400 3.100 peak 854 weight 0.10000E+01 volume 0.45610E+04 ppm1 2.158 ppm2 1.270 OR { 854} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 69 and name HG2%) OR { 854} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 13 and name HG2%) OR { 854} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 13 and name HG2%) OR { 854} (( segid " " and resid 109 and name HB3 )) ( segid " " and resid 100 and name HG1%) OR { 854} (( segid " " and resid 109 and name HB3 )) (( segid " " and resid 118 and name HB3 )) ASSI { 877} (( segid " " and resid 30 and name HA )) ( segid " " and resid 29 and name HD% ) 2.700 0.900 0.900 peak 877 weight 0.10000E+01 volume 0.23060E+04 ppm1 4.137 ppm2 6.507 OR { 877} (( segid " " and resid 30 and name HA )) ( segid " " and resid 43 and name HE% ) ASSI { 888} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD1%) 2.800 1.000 1.000 peak 888 weight 0.10000E+01 volume 0.18710E+04 ppm1 3.264 ppm2 0.707 OR { 888} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 52 and name HD1%) ASSI { 904} (( segid " " and resid 54 and name HA )) ( segid " " and resid 45 and name HG1%) 2.400 0.700 0.700 peak 904 weight 0.10000E+01 volume 0.49570E+04 ppm1 4.242 ppm2 0.850 OR { 904} (( segid " " and resid 31 and name HA )) ( segid " " and resid 45 and name HG1%) ASSI { 907} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HA )) 2.000 0.500 0.500 peak 907 weight 0.10000E+01 volume 0.15070E+05 ppm1 2.141 ppm2 4.234 OR { 907} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HA )) OR { 907} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) OR { 907} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) ASSI { 916} (( segid " " and resid 31 and name HG3 )) ( segid " " and resid 45 and name HG1%) 2.400 0.700 0.700 peak 916 weight 0.10000E+01 volume 0.49810E+04 ppm1 2.293 ppm2 0.858 OR { 916} (( segid " " and resid 28 and name HG3 )) ( segid " " and resid 27 and name HB% ) ASSI { 927} (( segid " " and resid 33 and name HA )) ( segid " " and resid 39 and name HG2%) 2.500 2.500 3.000 peak 927 weight 0.10000E+01 volume 0.38280E+04 ppm1 3.827 ppm2 0.541 OR { 927} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name HB3 )) ASSI { 952} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 45 and name HG2%) 2.500 2.500 3.000 peak 952 weight 0.10000E+01 volume 0.39990E+04 ppm1 0.687 ppm2 0.790 OR { 952} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 118 and name HG )) ASSI { 955} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 39 and name HG2%) 2.100 2.100 3.400 peak 955 weight 0.10000E+01 volume 0.10930E+05 ppm1 0.694 ppm2 0.533 OR { 955} ( segid " " and resid 33 and name HD1%) ( segid " " and resid 106 and name HD1%) ASSI { 970} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB3 )) 2.100 0.600 0.600 peak 970 weight 0.10000E+01 volume 0.96230E+04 ppm1 0.602 ppm2 1.245 OR { 970} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 52 and name HB3 )) ASSI { 976} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.300 2.300 3.200 peak 976 weight 0.10000E+01 volume 0.58250E+04 ppm1 0.555 ppm2 6.980 OR { 976} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 30 and name HE% ) ASSI { 978} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HD% ) 2.600 2.600 2.900 peak 978 weight 0.10000E+01 volume 0.27910E+04 ppm1 0.604 ppm2 7.621 OR { 978} ( segid " " and resid 23 and name HD2%) ( segid " " and resid 30 and name HD% ) OR { 978} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 93 and name HD1 )) ASSI { 985} (( segid " " and resid 19 and name HA )) (( segid " " and resid 93 and name HZ2 )) 2.200 0.600 0.600 peak 985 weight 0.10000E+01 volume 0.78170E+04 ppm1 3.640 ppm2 6.523 OR { 985} (( segid " " and resid 34 and name HA )) ( segid " " and resid 43 and name HE% ) ASSI { 992} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 114 and name HA )) 2.600 2.600 2.900 peak 992 weight 0.10000E+01 volume 0.34340E+04 ppm1 1.635 ppm2 4.402 OR { 992} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 32 and name HA )) ASSI { 993} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 113 and name HA )) 1.700 0.400 0.500 peak 993 weight 0.10000E+01 volume 0.44930E+05 ppm1 1.628 ppm2 4.214 OR { 993} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 110 and name HA )) ASSI { 1008} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 110 and name HB3 )) 2.100 2.100 3.400 peak 1008 weight 0.10000E+01 volume 0.11180E+05 ppm1 1.625 ppm2 1.380 OR { 1008} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 115 and name HG3 )) OR { 1008} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 36 and name HG2 )) OR { 1008} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 36 and name HG3 )) ASSI { 1016} ( segid " " and resid 34 and name HB% ) ( segid " " and resid 54 and name HG1%) 1.900 1.900 3.600 peak 1016 weight 0.10000E+01 volume 0.20050E+05 ppm1 1.610 ppm2 0.408 OR { 1016} ( segid " " and resid 113 and name HB% ) ( segid " " and resid 120 and name HD1%) ASSI { 1019} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.100 0.600 0.600 peak 1019 weight 0.10000E+01 volume 0.11520E+05 ppm1 4.592 ppm2 2.719 OR { 1019} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) ASSI { 1077} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 37 and name HB2 )) 2.500 2.500 3.000 peak 1077 weight 0.10000E+01 volume 0.37210E+04 ppm1 3.708 ppm2 2.299 OR { 1077} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 70 and name HB2 )) ASSI { 1078} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HB2 )) 2.500 0.800 0.800 peak 1078 weight 0.10000E+01 volume 0.37320E+04 ppm1 3.409 ppm2 2.299 OR { 1078} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 70 and name HB2 )) ASSI { 1079} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HB3 )) 2.200 2.200 3.300 peak 1079 weight 0.10000E+01 volume 0.83050E+04 ppm1 3.409 ppm2 2.006 OR { 1079} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 73 and name HB3 )) ASSI { 1090} (( segid " " and resid 70 and name HD2 )) ( segid " " and resid 69 and name HG2%) 2.600 0.800 0.800 peak 1090 weight 0.10000E+01 volume 0.30200E+04 ppm1 3.708 ppm2 1.273 OR { 1090} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 68 and name HG2 )) ASSI { 1097} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 37 and name HG2 )) 2.900 1.100 1.100 peak 1097 weight 0.10000E+01 volume 0.15660E+04 ppm1 3.706 ppm2 1.649 OR { 1097} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 70 and name HG3 )) ASSI { 1160} (( segid " " and resid 45 and name HA )) ( segid " " and resid 52 and name HD1%) 2.600 2.600 2.900 peak 1160 weight 0.10000E+01 volume 0.29760E+04 ppm1 4.669 ppm2 0.732 OR { 1160} (( segid " " and resid 74 and name HA )) ( segid " " and resid 19 and name HB% ) OR { 1160} (( segid " " and resid 74 and name HA )) ( segid " " and resid 23 and name HD1%) ASSI { 1175} (( segid " " and resid 46 and name HB3 )) ( segid " " and resid 45 and name HG1%) 2.800 2.800 2.700 peak 1175 weight 0.10000E+01 volume 0.20330E+04 ppm1 3.800 ppm2 0.854 OR { 1175} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 45 and name HG1%) OR { 1175} (( segid " " and resid 46 and name HB3 )) ( segid " " and resid 51 and name HG1%) OR { 1175} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 51 and name HG1%) ASSI { 1203} (( segid " " and resid 50 and name HA2 )) ( segid " " and resid 23 and name HD1%) 2.500 2.500 3.000 peak 1203 weight 0.10000E+01 volume 0.37830E+04 ppm1 3.527 ppm2 0.740 OR { 1203} (( segid " " and resid 99 and name HA2 )) ( segid " " and resid 94 and name HG2%) ASSI { 1220} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 77 and name HB2 )) 2.300 0.700 0.700 peak 1220 weight 0.10000E+01 volume 0.68370E+04 ppm1 0.892 ppm2 3.782 OR { 1220} ( segid " " and resid 45 and name HG1%) (( segid " " and resid 27 and name HA )) OR { 1220} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 48 and name HA2 )) ASSI { 1227} (( segid " " and resid 76 and name HA )) (( segid " " and resid 65 and name HG12)) 2.300 2.300 3.200 peak 1227 weight 0.10000E+01 volume 0.62020E+04 ppm1 5.373 ppm2 1.601 OR { 1227} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG )) ASSI { 1255} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 106 and name HD1%) 2.500 2.500 3.000 peak 1255 weight 0.10000E+01 volume 0.39760E+04 ppm1 0.448 ppm2 0.536 OR { 1255} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 39 and name HG2%) ASSI { 1260} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 52 and name HD1%) 2.000 0.500 0.500 peak 1260 weight 0.10000E+01 volume 0.13050E+05 ppm1 -0.195 ppm2 0.714 OR { 1260} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 65 and name HD1%) ASSI { 1275} (( segid " " and resid 32 and name HA )) ( segid " " and resid 34 and name HB% ) 2.700 2.700 2.800 peak 1275 weight 0.10000E+01 volume 0.22320E+04 ppm1 4.443 ppm2 1.636 OR { 1275} (( segid " " and resid 56 and name HA )) (( segid " " and resid 55 and name HD3 )) ASSI { 1288} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HG )) 2.500 0.800 0.800 peak 1288 weight 0.10000E+01 volume 0.36470E+04 ppm1 2.290 ppm2 1.936 OR { 1288} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HG )) ASSI { 1289} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 60 and name HD1%) 2.100 0.600 0.600 peak 1289 weight 0.10000E+01 volume 0.96340E+04 ppm1 2.283 ppm2 1.072 OR { 1289} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD1%) ASSI { 1319} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 79 and name HB2 )) 2.900 1.100 1.100 peak 1319 weight 0.10000E+01 volume 0.16660E+04 ppm1 4.106 ppm2 2.276 OR { 1319} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 56 and name HB2 )) ASSI { 1321} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 56 and name HB2 )) 2.800 1.000 1.000 peak 1321 weight 0.10000E+01 volume 0.17860E+04 ppm1 3.753 ppm2 2.284 OR { 1321} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 60 and name HB2 )) ASSI { 1349} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HB )) 1.800 0.400 0.400 peak 1349 weight 0.10000E+01 volume 0.27440E+05 ppm1 1.153 ppm2 4.371 OR { 1349} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HB )) ASSI { 1356} ( segid " " and resid 51 and name HG1%) ( segid " " and resid 47 and name HD% ) 2.800 2.800 2.700 peak 1356 weight 0.10000E+01 volume 0.20990E+04 ppm1 0.852 ppm2 7.241 OR { 1356} ( segid " " and resid 45 and name HG1%) ( segid " " and resid 47 and name HD% ) ASSI { 1398} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.800 2.800 2.700 peak 1398 weight 0.10000E+01 volume 0.21900E+04 ppm1 0.745 ppm2 1.922 OR { 1398} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 76 and name HB2 )) ASSI { 1402} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 65 and name HG13)) 1.900 0.500 0.500 peak 1402 weight 0.10000E+01 volume 0.23270E+05 ppm1 0.745 ppm2 0.977 OR { 1402} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 76 and name HD1%) ASSI { 1405} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 106 and name HD1%) 1.900 1.900 3.600 peak 1405 weight 0.10000E+01 volume 0.17590E+05 ppm1 0.745 ppm2 0.543 OR { 1405} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 26 and name HD1%) ASSI { 1422} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 64 and name HA )) 3.000 1.100 1.100 peak 1422 weight 0.10000E+01 volume 0.13510E+04 ppm1 1.606 ppm2 4.979 OR { 1422} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 63 and name HA )) ASSI { 1427} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 76 and name HB2 )) 2.400 2.400 3.100 peak 1427 weight 0.10000E+01 volume 0.44930E+04 ppm1 1.596 ppm2 1.924 OR { 1427} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 26 and name HB2 )) ASSI { 1430} (( segid " " and resid 65 and name HG13)) ( segid " " and resid 106 and name HD1%) 2.800 2.800 2.700 peak 1430 weight 0.10000E+01 volume 0.21410E+04 ppm1 1.019 ppm2 0.543 OR { 1430} (( segid " " and resid 65 and name HG13)) ( segid " " and resid 26 and name HD1%) ASSI { 1439} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 65 and name HG13)) 1.900 0.500 0.500 peak 1439 weight 0.10000E+01 volume 0.19340E+05 ppm1 1.592 ppm2 0.975 OR { 1439} (( segid " " and resid 65 and name HG12)) ( segid " " and resid 76 and name HD1%) ASSI { 1456} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 74 and name HG12)) 2.600 2.600 2.900 peak 1456 weight 0.10000E+01 volume 0.30480E+04 ppm1 0.694 ppm2 0.361 OR { 1456} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 102 and name HB3 )) ASSI { 1464} (( segid " " and resid 66 and name HA )) ( segid " " and resid 51 and name HG1%) 2.500 2.500 3.000 peak 1464 weight 0.10000E+01 volume 0.43170E+04 ppm1 5.829 ppm2 0.885 OR { 1464} (( segid " " and resid 66 and name HA )) ( segid " " and resid 64 and name HG1%) ASSI { 1471} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 64 and name HG1%) 2.400 2.400 3.100 peak 1471 weight 0.10000E+01 volume 0.55190E+04 ppm1 2.563 ppm2 0.885 OR { 1471} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 51 and name HG1%) ASSI { 1474} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 51 and name HG1%) 2.300 2.300 3.200 peak 1474 weight 0.10000E+01 volume 0.56640E+04 ppm1 2.921 ppm2 0.871 OR { 1474} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 64 and name HG1%) ASSI { 1483} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.600 2.600 2.900 peak 1483 weight 0.10000E+01 volume 0.32410E+04 ppm1 4.116 ppm2 1.528 OR { 1483} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HB2 )) ASSI { 1486} (( segid " " and resid 67 and name HA )) ( segid " " and resid 19 and name HB% ) 2.600 2.600 2.900 peak 1486 weight 0.10000E+01 volume 0.27950E+04 ppm1 4.124 ppm2 0.746 OR { 1486} (( segid " " and resid 67 and name HA )) ( segid " " and resid 23 and name HD1%) ASSI { 1496} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 50 and name HA1 )) 2.700 0.900 0.900 peak 1496 weight 0.10000E+01 volume 0.26140E+04 ppm1 1.495 ppm2 4.109 OR { 1496} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) OR { 1496} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 50 and name HA1 )) ASSI { 1525} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 70 and name HD3 )) 1.800 0.400 0.400 peak 1525 weight 0.10000E+01 volume 0.26670E+05 ppm1 3.705 ppm2 3.400 OR { 1525} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 37 and name HD3 )) ASSI { 1538} (( segid " " and resid 9 and name HG3 )) (( segid " " and resid 9 and name HB2 )) 2.000 0.500 0.500 peak 1538 weight 0.10000E+01 volume 0.17200E+05 ppm1 1.980 ppm2 2.306 OR { 1538} (( segid " " and resid 60 and name HG )) (( segid " " and resid 60 and name HB2 )) OR { 1538} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HB3 )) OR { 1538} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HB2 )) ASSI { 1539} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.000 0.500 0.500 peak 1539 weight 0.10000E+01 volume 0.13020E+05 ppm1 4.752 ppm2 3.089 OR { 1539} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) ASSI { 1559} (( segid " " and resid 117 and name HE2 )) (( segid " " and resid 117 and name HD3 )) 2.100 0.600 0.600 peak 1559 weight 0.10000E+01 volume 0.11600E+05 ppm1 2.904 ppm2 1.347 OR { 1559} (( segid " " and resid 117 and name HE3 )) (( segid " " and resid 117 and name HD2 )) OR { 1559} (( segid " " and resid 117 and name HE2 )) (( segid " " and resid 117 and name HD2 )) OR { 1559} (( segid " " and resid 117 and name HE3 )) (( segid " " and resid 117 and name HD3 )) OR { 1559} (( segid " " and resid 128 and name HE2 )) (( segid " " and resid 128 and name HG2 )) ASSI { 1594} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 19 and name HB% ) 2.100 0.600 0.600 peak 1594 weight 0.10000E+01 volume 0.10720E+05 ppm1 -0.435 ppm2 0.755 OR { 1594} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 23 and name HD1%) ASSI { 1595} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 93 and name HB2 )) 2.900 1.100 1.100 peak 1595 weight 0.10000E+01 volume 0.17390E+04 ppm1 -0.422 ppm2 3.433 OR { 1595} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 86 and name HB2 )) ASSI { 1597} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 22 and name HA )) 3.000 3.000 2.500 peak 1597 weight 0.10000E+01 volume 0.14370E+04 ppm1 -0.430 ppm2 3.966 OR { 1597} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 20 and name HA )) ASSI { 1604} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 93 and name HH2 )) 2.900 1.100 1.100 peak 1604 weight 0.10000E+01 volume 0.14880E+04 ppm1 -0.437 ppm2 6.965 OR { 1604} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 86 and name HD% ) ASSI { 1621} (( segid " " and resid 74 and name HG13)) ( segid " " and resid 74 and name HG2%) 2.100 2.100 3.400 peak 1621 weight 0.10000E+01 volume 0.11740E+05 ppm1 0.193 ppm2 0.477 OR { 1621} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 106 and name HD2%) ASSI { 1623} (( segid " " and resid 74 and name HG13)) ( segid " " and resid 19 and name HB% ) 2.400 0.700 0.700 peak 1623 weight 0.10000E+01 volume 0.44190E+04 ppm1 0.198 ppm2 0.767 OR { 1623} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 123 and name HD1%) ASSI { 1624} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 106 and name HG )) 2.400 0.700 0.700 peak 1624 weight 0.10000E+01 volume 0.46640E+04 ppm1 0.184 ppm2 0.879 OR { 1624} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 118 and name HD2%) ASSI { 1626} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB3 )) 2.200 0.600 0.600 peak 1626 weight 0.10000E+01 volume 0.79640E+04 ppm1 0.193 ppm2 1.197 OR { 1626} (( segid " " and resid 74 and name HG13)) (( segid " " and resid 74 and name HB )) ASSI { 1627} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 107 and name HB% ) 2.500 0.800 0.800 peak 1627 weight 0.10000E+01 volume 0.41130E+04 ppm1 0.184 ppm2 1.590 OR { 1627} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 123 and name HG )) ASSI { 1635} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 103 and name HD2 )) 2.300 2.300 3.200 peak 1635 weight 0.10000E+01 volume 0.57520E+04 ppm1 0.190 ppm2 6.978 OR { 1635} ( segid " " and resid 120 and name HD2%) ( segid " " and resid 30 and name HE% ) ASSI { 1669} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 77 and name HB2 )) 2.700 2.700 2.800 peak 1669 weight 0.10000E+01 volume 0.22120E+04 ppm1 0.990 ppm2 3.794 OR { 1669} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 106 and name HA )) OR { 1669} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 106 and name HA )) ASSI { 1671} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 105 and name HA )) 2.400 2.400 3.100 peak 1671 weight 0.10000E+01 volume 0.49250E+04 ppm1 0.971 ppm2 4.207 OR { 1671} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 105 and name HA )) OR { 1671} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 110 and name HA )) OR { 1671} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 110 and name HA )) ASSI { 1673} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 84 and name HE2 )) 2.800 1.000 1.000 peak 1673 weight 0.10000E+01 volume 0.17950E+04 ppm1 1.000 ppm2 2.762 OR { 1673} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 63 and name HB2 )) ASSI { 1675} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 65 and name HG12)) 1.900 0.500 0.500 peak 1675 weight 0.10000E+01 volume 0.22460E+05 ppm1 0.981 ppm2 1.607 OR { 1675} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 76 and name HG )) OR { 1675} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG )) ASSI { 1723} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 106 and name HA )) 2.300 0.700 0.700 peak 1723 weight 0.10000E+01 volume 0.57840E+04 ppm1 0.958 ppm2 3.830 OR { 1723} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 78 and name HB3 )) ASSI { 1726} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 63 and name HE% ) 2.400 0.700 0.700 peak 1726 weight 0.10000E+01 volume 0.46350E+04 ppm1 0.953 ppm2 6.764 OR { 1726} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 86 and name HE% ) ASSI { 1727} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 63 and name HD% ) 2.700 2.700 2.800 peak 1727 weight 0.10000E+01 volume 0.23970E+04 ppm1 0.958 ppm2 6.964 OR { 1727} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 86 and name HD% ) OR { 1727} ( segid " " and resid 105 and name HD1%) ( segid " " and resid 63 and name HD% ) OR { 1727} ( segid " " and resid 105 and name HD2%) ( segid " " and resid 30 and name HE% ) ASSI { 1732} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 1732 weight 0.10000E+01 volume 0.59690E+04 ppm1 0.566 ppm2 2.034 OR { 1732} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 123 and name HB2 )) ASSI { 1756} ( segid " " and resid 106 and name HD1%) ( segid " " and resid 76 and name HD1%) 2.200 0.600 0.600 peak 1756 weight 0.10000E+01 volume 0.77710E+04 ppm1 0.563 ppm2 0.984 OR { 1756} ( segid " " and resid 106 and name HD1%) ( segid " " and resid 110 and name HD1%) OR { 1756} ( segid " " and resid 106 and name HD1%) ( segid " " and resid 76 and name HD2%) ASSI { 1790} (( segid " " and resid 102 and name HA )) ( segid " " and resid 105 and name HD2%) 2.700 0.900 0.900 peak 1790 weight 0.10000E+01 volume 0.26990E+04 ppm1 3.545 ppm2 0.964 OR { 1790} (( segid " " and resid 102 and name HA )) ( segid " " and resid 76 and name HD2%) ASSI { 1819} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 76 and name HD1%) 1.900 1.900 3.600 peak 1819 weight 0.10000E+01 volume 0.19990E+05 ppm1 0.233 ppm2 0.980 OR { 1819} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 65 and name HG13)) OR { 1819} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 76 and name HD2%) ASSI { 1827} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 106 and name HB2 )) 2.500 2.500 3.000 peak 1827 weight 0.10000E+01 volume 0.37320E+04 ppm1 0.226 ppm2 1.701 OR { 1827} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 105 and name HG )) ASSI { 1828} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 76 and name HB2 )) 2.700 0.900 0.900 peak 1828 weight 0.10000E+01 volume 0.22430E+04 ppm1 0.229 ppm2 1.927 OR { 1828} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 105 and name HB3 )) ASSI { 1829} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 74 and name HG2%) 2.300 0.700 0.700 peak 1829 weight 0.10000E+01 volume 0.63310E+04 ppm1 0.219 ppm2 0.536 OR { 1829} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 26 and name HD1%) ASSI { 1835} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 23 and name HB3 )) 2.300 0.700 0.700 peak 1835 weight 0.10000E+01 volume 0.72480E+04 ppm1 0.741 ppm2 1.438 OR { 1835} (( segid " " and resid 102 and name HG )) (( segid " " and resid 102 and name HB2 )) OR { 1835} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 67 and name HG3 )) ASSI { 1839} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 67 and name HD3 )) 2.500 2.500 3.000 peak 1839 weight 0.10000E+01 volume 0.39480E+04 ppm1 0.743 ppm2 1.777 OR { 1839} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 67 and name HD2 )) OR { 1839} ( segid " " and resid 23 and name HD1%) (( segid " " and resid 65 and name HB )) ASSI { 1864} (( segid " " and resid 102 and name HG )) ( segid " " and resid 123 and name HD2%) 2.100 2.100 3.400 peak 1864 weight 0.10000E+01 volume 0.11470E+05 ppm1 0.741 ppm2 0.567 OR { 1864} (( segid " " and resid 102 and name HG )) ( segid " " and resid 106 and name HD1%) ASSI { 1867} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 110 and name HB2 )) 2.800 2.800 2.700 peak 1867 weight 0.10000E+01 volume 0.19740E+04 ppm1 0.600 ppm2 2.021 OR { 1867} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 123 and name HB2 )) OR { 1867} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 120 and name HB2 )) OR { 1867} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 73 and name HB3 )) ASSI { 1868} ( segid " " and resid 23 and name HD2%) (( segid " " and resid 23 and name HA )) 1.900 0.500 0.500 peak 1868 weight 0.10000E+01 volume 0.20370E+05 ppm1 0.596 ppm2 3.835 OR { 1868} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HA )) ASSI { 1897} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 14 and name HA )) 2.900 2.900 2.600 peak 1897 weight 0.10000E+01 volume 0.17170E+04 ppm1 -0.150 ppm2 3.852 OR { 1897} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 15 and name HA )) ASSI { 1934} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 86 and name HE% ) 2.100 0.600 0.600 peak 1934 weight 0.10000E+01 volume 0.10280E+05 ppm1 0.993 ppm2 6.778 OR { 1934} ( segid " " and resid 76 and name HD2%) ( segid " " and resid 63 and name HE% ) OR { 1934} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 63 and name HE% ) ASSI { 1958} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 76 and name HG )) 2.900 2.900 2.600 peak 1958 weight 0.10000E+01 volume 0.16640E+04 ppm1 3.871 ppm2 1.599 OR { 1958} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 123 and name HG )) OR { 1958} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 65 and name HG12)) ASSI { 1959} (( segid " " and resid 15 and name HA )) (( segid " " and resid 72 and name HD2 )) 2.600 0.800 0.800 peak 1959 weight 0.10000E+01 volume 0.32570E+04 ppm1 3.865 ppm2 1.257 OR { 1959} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB2 )) ASSI { 1983} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HG2 )) 2.200 2.200 3.300 peak 1983 weight 0.10000E+01 volume 0.84070E+04 ppm1 1.497 ppm2 1.667 OR { 1983} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HG2 )) ASSI { 2024} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HD3 )) 2.800 1.000 1.000 peak 2024 weight 0.10000E+01 volume 0.20820E+04 ppm1 0.678 ppm2 0.958 OR { 2024} (( segid " " and resid 84 and name HB3 )) ( segid " " and resid 76 and name HD2%) ASSI { 2040} (( segid " " and resid 84 and name HE3 )) ( segid " " and resid 105 and name HD2%) 2.300 0.700 0.700 peak 2040 weight 0.10000E+01 volume 0.68770E+04 ppm1 2.649 ppm2 0.943 OR { 2040} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HD3 )) ASSI { 2102} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HD2 )) 2.600 0.800 0.800 peak 2102 weight 0.10000E+01 volume 0.32170E+04 ppm1 2.403 ppm2 6.917 OR { 2102} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HD1 )) ASSI { 2156} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG2 )) 2.500 0.800 0.800 peak 2156 weight 0.10000E+01 volume 0.38510E+04 ppm1 4.171 ppm2 1.049 OR { 2156} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HD1%) OR { 2156} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HD2 )) ASSI { 2166} ( segid " " and resid 110 and name HD2%) ( segid " " and resid 60 and name HD1%) 1.800 0.400 0.400 peak 2166 weight 0.10000E+01 volume 0.32810E+05 ppm1 0.882 ppm2 1.054 OR { 2166} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 53 and name HG2%) ASSI { 2194} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 101 and name HB3 )) 2.400 0.700 0.700 peak 2194 weight 0.10000E+01 volume 0.53910E+04 ppm1 0.752 ppm2 4.140 OR { 2194} ( segid " " and resid 94 and name HG2%) (( segid " " and resid 100 and name HA )) ASSI { 2232} ( segid " " and resid 94 and name HG2%) ( segid " " and resid 89 and name HG2%) 2.100 2.100 3.400 peak 2232 weight 0.10000E+01 volume 0.98050E+04 ppm1 0.753 ppm2 1.200 OR { 2232} ( segid " " and resid 123 and name HD1%) (( segid " " and resid 120 and name HB3 )) ASSI { 2240} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HG )) 2.900 2.900 2.600 peak 2240 weight 0.10000E+01 volume 0.15240E+04 ppm1 3.538 ppm2 1.719 OR { 2240} (( segid " " and resid 102 and name HA )) (( segid " " and resid 106 and name HB2 )) ASSI { 2247} (( segid " " and resid 103 and name HA )) ( segid " " and resid 107 and name HB% ) 2.800 2.800 2.700 peak 2247 weight 0.10000E+01 volume 0.17800E+04 ppm1 3.647 ppm2 1.604 OR { 2247} (( segid " " and resid 103 and name HA )) (( segid " " and resid 123 and name HB3 )) OR { 2247} (( segid " " and resid 103 and name HA )) (( segid " " and resid 123 and name HG )) ASSI { 2250} (( segid " " and resid 103 and name HA )) ( segid " " and resid 123 and name HD1%) 2.800 2.800 2.700 peak 2250 weight 0.10000E+01 volume 0.18120E+04 ppm1 3.647 ppm2 0.762 OR { 2250} (( segid " " and resid 103 and name HA )) ( segid " " and resid 65 and name HD1%) ASSI { 2254} (( segid " " and resid 103 and name HA )) ( segid " " and resid 26 and name HD2%) 2.700 0.900 0.900 peak 2254 weight 0.10000E+01 volume 0.26260E+04 ppm1 3.647 ppm2 0.416 OR { 2254} (( segid " " and resid 103 and name HA )) ( segid " " and resid 120 and name HD1%) ASSI { 2292} (( segid " " and resid 114 and name HG )) ( segid " " and resid 114 and name HD2%) 1.900 0.500 0.500 peak 2292 weight 0.10000E+01 volume 0.21400E+05 ppm1 1.738 ppm2 0.948 OR { 2292} (( segid " " and resid 105 and name HG )) ( segid " " and resid 105 and name HD2%) OR { 2292} (( segid " " and resid 105 and name HG )) ( segid " " and resid 105 and name HD1%) OR { 2292} (( segid " " and resid 114 and name HG )) ( segid " " and resid 114 and name HD1%) ASSI { 2321} (( segid " " and resid 113 and name HA )) ( segid " " and resid 60 and name HD2%) 2.200 2.200 3.300 peak 2321 weight 0.10000E+01 volume 0.77600E+04 ppm1 4.223 ppm2 0.968 OR { 2321} (( segid " " and resid 108 and name HA )) ( segid " " and resid 110 and name HD1%) OR { 2321} (( segid " " and resid 113 and name HA )) ( segid " " and resid 110 and name HD1%) ASSI { 2323} ( segid " " and resid 108 and name HB% ) (( segid " " and resid 108 and name HA )) 1.800 0.400 0.400 peak 2323 weight 0.10000E+01 volume 0.29770E+05 ppm1 1.628 ppm2 4.218 OR { 2323} ( segid " " and resid 34 and name HB% ) (( segid " " and resid 31 and name HA )) ASSI { 2331} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HD2 )) 2.800 2.800 2.700 peak 2331 weight 0.10000E+01 volume 0.20560E+04 ppm1 4.088 ppm2 1.740 OR { 2331} (( segid " " and resid 109 and name HA )) (( segid " " and resid 105 and name HG )) ASSI { 2332} (( segid " " and resid 109 and name HA )) ( segid " " and resid 105 and name HD1%) 2.700 2.700 2.800 peak 2332 weight 0.10000E+01 volume 0.22950E+04 ppm1 4.086 ppm2 0.958 OR { 2332} (( segid " " and resid 109 and name HA )) ( segid " " and resid 105 and name HD2%) OR { 2332} (( segid " " and resid 109 and name HA )) ( segid " " and resid 110 and name HD1%) ASSI { 2333} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HA )) 1.900 0.500 0.500 peak 2333 weight 0.10000E+01 volume 0.18880E+05 ppm1 2.162 ppm2 3.988 OR { 2333} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HA )) OR { 2333} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) OR { 2333} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) ASSI { 2355} (( segid " " and resid 110 and name HB3 )) ( segid " " and resid 118 and name HD2%) 2.300 0.700 0.700 peak 2355 weight 0.10000E+01 volume 0.59050E+04 ppm1 1.389 ppm2 0.873 OR { 2355} (( segid " " and resid 110 and name HB3 )) ( segid " " and resid 110 and name HD2%) ASSI { 2371} (( segid " " and resid 111 and name HB )) ( segid " " and resid 108 and name HB% ) 2.600 0.800 0.800 peak 2371 weight 0.10000E+01 volume 0.30960E+04 ppm1 4.373 ppm2 1.625 OR { 2371} (( segid " " and resid 111 and name HB )) ( segid " " and resid 107 and name HB% ) ASSI { 2372} (( segid " " and resid 111 and name HA )) (( segid " " and resid 116 and name HA )) 2.900 1.100 1.100 peak 2372 weight 0.10000E+01 volume 0.17090E+04 ppm1 4.864 ppm2 4.193 OR { 2372} (( segid " " and resid 111 and name HA )) (( segid " " and resid 110 and name HA )) OR { 2372} (( segid " " and resid 111 and name HA )) (( segid " " and resid 108 and name HA )) ASSI { 2376} (( segid " " and resid 111 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.600 2.600 2.900 peak 2376 weight 0.10000E+01 volume 0.30400E+04 ppm1 4.876 ppm2 1.542 OR { 2376} (( segid " " and resid 111 and name HA )) (( segid " " and resid 114 and name HB3 )) ASSI { 2377} (( segid " " and resid 111 and name HA )) ( segid " " and resid 113 and name HB% ) 2.800 2.800 2.700 peak 2377 weight 0.10000E+01 volume 0.21330E+04 ppm1 4.878 ppm2 1.625 OR { 2377} (( segid " " and resid 111 and name HA )) ( segid " " and resid 107 and name HB% ) OR { 2377} (( segid " " and resid 111 and name HA )) ( segid " " and resid 108 and name HB% ) ASSI { 2419} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 112 and name HD2 )) 2.200 0.600 0.600 peak 2419 weight 0.10000E+01 volume 0.90780E+04 ppm1 3.076 ppm2 1.760 OR { 2419} (( segid " " and resid 115 and name HE3 )) (( segid " " and resid 115 and name HD3 )) OR { 2419} (( segid " " and resid 112 and name HE3 )) (( segid " " and resid 112 and name HD2 )) OR { 2419} (( segid " " and resid 115 and name HE2 )) (( segid " " and resid 115 and name HD2 )) OR { 2419} (( segid " " and resid 115 and name HE2 )) (( segid " " and resid 115 and name HD3 )) ASSI { 2438} (( segid " " and resid 113 and name HA )) ( segid " " and resid 60 and name HD2%) 2.400 2.400 3.100 peak 2438 weight 0.10000E+01 volume 0.45270E+04 ppm1 4.222 ppm2 0.977 OR { 2438} (( segid " " and resid 108 and name HA )) ( segid " " and resid 110 and name HD1%) ASSI { 2462} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HB3 )) 2.100 0.600 0.600 peak 2462 weight 0.10000E+01 volume 0.12530E+05 ppm1 2.023 ppm2 1.585 OR { 2462} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 107 and name HB% ) ASSI { 2476} (( segid " " and resid 65 and name HB )) ( segid " " and resid 26 and name HD1%) 2.800 2.800 2.700 peak 2476 weight 0.10000E+01 volume 0.19030E+04 ppm1 1.774 ppm2 0.553 OR { 2476} (( segid " " and resid 65 and name HB )) ( segid " " and resid 106 and name HD1%) OR { 2476} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 39 and name HG2%) ASSI { 2489} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 54 and name HB )) 2.500 2.500 3.000 peak 2489 weight 0.10000E+01 volume 0.41980E+04 ppm1 0.926 ppm2 1.612 OR { 2489} ( segid " " and resid 114 and name HD2%) ( segid " " and resid 113 and name HB% ) ASSI { 2490} ( segid " " and resid 114 and name HD2%) (( segid " " and resid 114 and name HB3 )) 2.200 0.600 0.600 peak 2490 weight 0.10000E+01 volume 0.81350E+04 ppm1 0.930 ppm2 1.527 OR { 2490} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 56 and name HB3 )) OR { 2490} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 79 and name HG3 )) ASSI { 2536} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HG3 )) 2.100 0.600 0.600 peak 2536 weight 0.10000E+01 volume 0.10620E+05 ppm1 1.693 ppm2 1.345 OR { 2536} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HD2 )) OR { 2536} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HG2 )) ASSI { 2537} (( segid " " and resid 128 and name HB3 )) ( segid " " and resid 130 and name HB% ) 2.300 2.300 3.200 peak 2537 weight 0.10000E+01 volume 0.65400E+04 ppm1 1.693 ppm2 1.220 OR { 2537} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 84 and name HD2 )) OR { 2537} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HB3 )) OR { 2537} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 118 and name HB3 )) ASSI { 2569} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 2569 weight 0.10000E+01 volume 0.15760E+04 ppm1 4.729 ppm2 2.150 OR { 2569} (( segid " " and resid 98 and name HA )) (( segid " " and resid 97 and name HB3 )) OR { 2569} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB2 )) OR { 2569} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB3 )) OR { 2569} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 2594} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 103 and name HD2 )) 2.500 2.500 3.000 peak 2594 weight 0.10000E+01 volume 0.38400E+04 ppm1 2.042 ppm2 6.978 OR { 2594} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 103 and name HD2 )) ASSI { 2603} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 23 and name HD1%) 2.300 0.700 0.700 peak 2603 weight 0.10000E+01 volume 0.60900E+04 ppm1 2.019 ppm2 0.756 OR { 2603} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 123 and name HD1%) ASSI { 2651} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name HG2 )) 2.300 0.700 0.700 peak 2651 weight 0.10000E+01 volume 0.72830E+04 ppm1 1.789 ppm2 1.343 OR { 2651} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HG2 )) OR { 2651} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG2 )) OR { 2651} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HG3 )) ASSI { 2655} (( segid " " and resid 128 and name HD3 )) (( segid " " and resid 128 and name HB2 )) 2.200 0.600 0.600 peak 2655 weight 0.10000E+01 volume 0.77260E+04 ppm1 1.581 ppm2 1.781 OR { 2655} (( segid " " and resid 65 and name HG12)) (( segid " " and resid 65 and name HB )) OR { 2655} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HB2 )) ASSI { 2673} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG3 )) 2.400 2.400 3.100 peak 2673 weight 0.10000E+01 volume 0.47030E+04 ppm1 4.232 ppm2 1.680 OR { 2673} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HG3 )) ASSI { 2706} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 23 and name HG )) 2.900 1.100 1.100 peak 2706 weight 0.10000E+01 volume 0.17070E+04 ppm1 0.513 ppm2 1.605 OR { 2706} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 65 and name HG12)) OR { 2706} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 76 and name HG )) ASSI { 2714} ( segid " " and resid 74 and name HG2%) ( segid " " and resid 23 and name HD1%) 2.100 2.100 3.400 peak 2714 weight 0.10000E+01 volume 0.98730E+04 ppm1 0.512 ppm2 0.744 OR { 2714} ( segid " " and resid 74 and name HG2%) ( segid " " and resid 65 and name HD1%) OR { 2714} ( segid " " and resid 74 and name HG2%) (( segid " " and resid 102 and name HG )) ASSI { 2749} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 23 and name HD1%) 2.400 2.400 3.100 peak 2749 weight 0.10000E+01 volume 0.45670E+04 ppm1 1.124 ppm2 0.743 OR { 2749} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 19 and name HB% ) OR { 2749} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 102 and name HG )) OR { 2749} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 65 and name HD1%) ASSI { 2750} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 65 and name HG2%) 2.500 2.500 3.000 peak 2750 weight 0.10000E+01 volume 0.38740E+04 ppm1 1.124 ppm2 0.684 OR { 2750} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 52 and name HD2%) ASSI { 2758} (( segid " " and resid 15 and name HA )) ( segid " " and resid 19 and name HB% ) 2.800 1.000 1.000 peak 2758 weight 0.10000E+01 volume 0.20190E+04 ppm1 3.889 ppm2 0.765 OR { 2758} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 94 and name HG2%) ASSI { 2770} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 77 and name HB2 )) 2.500 2.500 3.000 peak 2770 weight 0.10000E+01 volume 0.42090E+04 ppm1 4.387 ppm2 3.752 OR { 2770} (( segid " " and resid 82 and name HA1 )) (( segid " " and resid 80 and name HB2 )) ASSI { 2798} (( segid " " and resid 22 and name HB )) ( segid " " and resid 124 and name HB% ) 2.300 2.300 3.200 peak 2798 weight 0.10000E+01 volume 0.64270E+04 ppm1 4.277 ppm2 1.263 OR { 2798} (( segid " " and resid 22 and name HB )) (( segid " " and resid 18 and name HB2 )) ASSI { 2799} (( segid " " and resid 22 and name HB )) ( segid " " and resid 23 and name HD1%) 2.900 1.100 1.100 peak 2799 weight 0.10000E+01 volume 0.17610E+04 ppm1 4.285 ppm2 0.748 OR { 2799} (( segid " " and resid 22 and name HB )) ( segid " " and resid 19 and name HB% ) ASSI { 2804} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 26 and name HA )) 2.300 0.700 0.700 peak 2804 weight 0.10000E+01 volume 0.57120E+04 ppm1 0.565 ppm2 4.020 OR { 2804} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) ASSI { 2808} ( segid " " and resid 123 and name HD2%) ( segid " " and resid 29 and name HE% ) 2.800 2.800 2.700 peak 2808 weight 0.10000E+01 volume 0.19880E+04 ppm1 0.570 ppm2 6.778 OR { 2808} ( segid " " and resid 123 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 2811} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB )) 1.900 0.500 0.500 peak 2811 weight 0.10000E+01 volume 0.18720E+05 ppm1 4.177 ppm2 3.171 OR { 2811} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB3 )) OR { 2811} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) ASSI { 2834} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 21 and name HA )) 2.300 0.700 0.700 peak 2834 weight 0.10000E+01 volume 0.64920E+04 ppm1 2.690 ppm2 4.172 OR { 2834} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 29 and name HA )) ASSI { 2852} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 103 and name HD2 )) 2.700 2.700 2.800 peak 2852 weight 0.10000E+01 volume 0.24650E+04 ppm1 1.584 ppm2 6.978 OR { 2852} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 30 and name HE% ) ASSI { 2883} ( segid " " and resid 114 and name HD1%) ( segid " " and resid 38 and name HD% ) 2.500 2.500 3.000 peak 2883 weight 0.10000E+01 volume 0.39650E+04 ppm1 0.947 ppm2 6.905 OR { 2883} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 38 and name HD% ) ASSI { 226} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 56 and name HA )) 2.700 2.700 2.800 peak 226 weight 0.10000E+01 volume 0.77700E+03 ppm1 6.533 ppm2 4.446 OR { 226} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 39 and name HA )) ASSI { 253} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 38 and name HB2 )) 2.900 2.900 2.600 peak 253 weight 0.10000E+01 volume 0.51300E+03 ppm1 6.675 ppm2 3.475 OR { 253} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 16 and name HA )) ASSI { 255} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 116 and name HB )) 3.300 1.400 1.400 peak 255 weight 0.10000E+01 volume 0.22600E+03 ppm1 6.687 ppm2 3.183 OR { 255} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 15 and name HB2 )) ASSI { 256} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 36 and name HE2 )) 3.200 1.300 1.300 peak 256 weight 0.10000E+01 volume 0.28100E+03 ppm1 6.681 ppm2 3.003 OR { 256} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 15 and name HB3 )) ASSI { 258} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 38 and name HB3 )) 2.800 2.800 2.700 peak 258 weight 0.10000E+01 volume 0.56300E+03 ppm1 6.681 ppm2 2.817 OR { 258} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 73 and name HG3 )) ASSI { 296} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 118 and name HD2%) 3.100 3.100 2.400 peak 296 weight 0.10000E+01 volume 0.35900E+03 ppm1 6.492 ppm2 0.873 OR { 296} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 118 and name HD1%) OR { 296} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 106 and name HG )) ASSI { 307} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 54 and name HB )) 2.900 1.100 1.100 peak 307 weight 0.10000E+01 volume 0.55300E+03 ppm1 6.964 ppm2 1.589 OR { 307} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 65 and name HG12)) OR { 307} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 76 and name HG )) ASSI { 318} ( segid " " and resid 86 and name HD% ) ( segid " " and resid 74 and name HG2%) 3.000 1.100 1.100 peak 318 weight 0.10000E+01 volume 0.41400E+03 ppm1 6.984 ppm2 0.505 OR { 318} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 106 and name HD2%) ASSI { 325} ( segid " " and resid 86 and name HD% ) (( segid " " and resid 76 and name HB2 )) 3.000 1.100 1.100 peak 325 weight 0.10000E+01 volume 0.40200E+03 ppm1 6.982 ppm2 1.899 OR { 325} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 56 and name HG )) ASSI { 326} ( segid " " and resid 86 and name HD% ) ( segid " " and resid 94 and name HG2%) 3.000 1.100 1.100 peak 326 weight 0.10000E+01 volume 0.40700E+03 ppm1 6.971 ppm2 0.743 OR { 326} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 65 and name HD1%) ASSI { 382} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 43 and name HE% ) 2.800 1.000 1.000 peak 382 weight 0.10000E+01 volume 0.60200E+03 ppm1 7.623 ppm2 6.502 OR { 382} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 29 and name HD% ) ASSI { 392} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 33 and name HG )) 3.200 1.300 1.300 peak 392 weight 0.10000E+01 volume 0.29500E+03 ppm1 6.757 ppm2 1.512 OR { 392} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 118 and name HB2 )) ASSI { 401} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 120 and name HA )) 3.200 1.300 1.300 peak 401 weight 0.10000E+01 volume 0.28100E+03 ppm1 6.761 ppm2 4.191 OR { 401} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 29 and name HA )) ASSI { 410} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 33 and name HB2 )) 3.000 3.000 2.500 peak 410 weight 0.10000E+01 volume 0.40200E+03 ppm1 7.622 ppm2 1.614 OR { 410} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 54 and name HB )) ASSI { 413} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 106 and name HD1%) 3.000 3.000 2.500 peak 413 weight 0.10000E+01 volume 0.44500E+03 ppm1 7.614 ppm2 0.538 OR { 413} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD1%) OR { 413} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 123 and name HD2%) OR { 413} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 39 and name HG2%) ASSI { 417} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 45 and name HG1%) 2.600 2.600 2.900 peak 417 weight 0.10000E+01 volume 0.90800E+03 ppm1 7.616 ppm2 0.865 OR { 417} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 27 and name HB% ) OR { 417} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 118 and name HD2%) ASSI { 426} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.400 2.400 3.100 peak 426 weight 0.10000E+01 volume 0.13970E+04 ppm1 6.983 ppm2 0.686 OR { 426} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 33 and name HD1%) ASSI { 428} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 106 and name HG )) 2.200 2.200 3.300 peak 428 weight 0.10000E+01 volume 0.24480E+04 ppm1 6.983 ppm2 0.876 OR { 428} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 118 and name HD2%) OR { 428} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 110 and name HD2%) ASSI { 441} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 26 and name HD2%) 3.000 1.100 1.100 peak 441 weight 0.10000E+01 volume 0.43800E+03 ppm1 6.787 ppm2 0.419 OR { 441} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 54 and name HG1%) ASSI { 442} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 110 and name HD1%) 3.100 1.200 1.200 peak 442 weight 0.10000E+01 volume 0.33500E+03 ppm1 6.787 ppm2 0.950 OR { 442} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 105 and name HD2%) ASSI { 443} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HB2 )) 3.000 3.000 2.500 peak 443 weight 0.10000E+01 volume 0.37800E+03 ppm1 7.608 ppm2 1.917 OR { 443} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 45 and name HB )) ASSI { 449} ( segid " " and resid 38 and name HD% ) (( segid " " and resid 37 and name HA )) 3.300 3.300 2.200 peak 449 weight 0.10000E+01 volume 0.21500E+03 ppm1 6.909 ppm2 4.378 OR { 449} ( segid " " and resid 38 and name HD% ) (( segid " " and resid 114 and name HA )) ASSI { 496} ( segid " " and resid 15 and name HE% ) ( segid " " and resid 69 and name HG2%) 2.600 2.600 2.900 peak 496 weight 0.10000E+01 volume 0.86500E+03 ppm1 6.671 ppm2 1.271 OR { 496} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 72 and name HD2 )) OR { 496} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 72 and name HD3 )) ASSI { 498} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 114 and name HB3 )) 2.600 2.600 2.900 peak 498 weight 0.10000E+01 volume 0.97500E+03 ppm1 6.671 ppm2 1.518 OR { 498} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 33 and name HG )) ASSI { 503} ( segid " " and resid 38 and name HE% ) (( segid " " and resid 110 and name HB2 )) 3.000 3.000 2.500 peak 503 weight 0.10000E+01 volume 0.37300E+03 ppm1 6.687 ppm2 2.011 OR { 503} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 73 and name HB3 )) OR { 503} ( segid " " and resid 15 and name HE% ) (( segid " " and resid 16 and name HB2 )) ASSI { 514} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 514 weight 0.10000E+01 volume 0.34300E+03 ppm1 7.419 ppm2 4.437 OR { 514} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HA )) OR { 514} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 56 and name HA )) ASSI { 519} (( segid " " and resid 40 and name HZ )) ( segid " " and resid 60 and name HD2%) 2.400 0.700 0.700 peak 519 weight 0.10000E+01 volume 0.15120E+04 ppm1 7.419 ppm2 0.965 OR { 519} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 60 and name HD2%) OR { 519} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 110 and name HD1%) ASSI { 543} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 45 and name HG1%) 3.000 3.000 2.500 peak 543 weight 0.10000E+01 volume 0.44800E+03 ppm1 6.530 ppm2 0.845 OR { 543} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 110 and name HD2%) OR { 543} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 118 and name HD2%) ASSI { 545} ( segid " " and resid 43 and name HD% ) ( segid " " and resid 56 and name HD2%) 3.100 3.100 2.400 peak 545 weight 0.10000E+01 volume 0.33000E+03 ppm1 7.192 ppm2 0.935 OR { 545} ( segid " " and resid 43 and name HD% ) ( segid " " and resid 110 and name HD1%) OR { 545} ( segid " " and resid 43 and name HD% ) ( segid " " and resid 114 and name HD2%) ASSI { 550} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 56 and name HG )) 3.000 3.000 2.500 peak 550 weight 0.10000E+01 volume 0.37400E+03 ppm1 6.759 ppm2 1.909 OR { 550} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 105 and name HB3 )) OR { 550} ( segid " " and resid 63 and name HE% ) (( segid " " and resid 76 and name HB2 )) ASSI { 553} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 76 and name HD2%) 2.400 0.700 0.700 peak 553 weight 0.10000E+01 volume 0.13810E+04 ppm1 6.759 ppm2 0.983 OR { 553} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 76 and name HD1%) OR { 553} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 110 and name HD1%) ASSI { 665} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 120 and name HB3 )) 2.900 2.900 2.600 peak 665 weight 0.10000E+01 volume 0.54400E+03 ppm1 6.978 ppm2 1.197 OR { 665} (( segid " " and resid 103 and name HD2 )) (( segid " " and resid 26 and name HB3 )) ASSI { 688} (( segid " " and resid 93 and name HE3 )) (( segid " " and resid 93 and name HH2 )) 3.200 1.300 1.300 peak 688 weight 0.10000E+01 volume 0.26600E+03 ppm1 7.622 ppm2 6.962 OR { 688} (( segid " " and resid 93 and name HE3 )) ( segid " " and resid 86 and name HD% ) ASSI { 0} ( segid " " and resid 95 and name HD% ) (( segid " " and resid 84 and name HG3 )) 3.000 3.000 2.500 peak 0 weight 0.10000E+01 volume 0.42600E+03 ppm1 7.657 ppm2 1.055 OR { 0} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 56 and name HD1%) OR { 0} ( segid " " and resid 95 and name HD% ) (( segid " " and resid 84 and name HG2 ))
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