NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
6696 | 1je3 | 5059 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!unambig.tbl (619 distances) ASSI { 1} (( segid " " and resid 74 and name HA )) ( segid " " and resid 79 and name HD% ) 4.000 2.200 1.000 peak 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 2} (( segid " " and resid 58 and name HA )) (( segid " " and resid 94 and name HA )) 2.400 0.800 0.600 peak 2 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 4} (( segid " " and resid 60 and name HA )) (( segid " " and resid 92 and name HA )) 2.400 0.800 0.600 peak 4 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 5} (( segid " " and resid 96 and name HA )) (( segid " " and resid 56 and name HA )) 2.400 0.800 0.600 peak 5 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 7} (( segid " " and resid 62 and name HA )) (( segid " " and resid 90 and name HA )) 2.400 0.800 0.600 peak 7 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 9} (( segid " " and resid 86 and name HA )) (( segid " " and resid 91 and name HA )) 2.400 0.800 0.600 peak 9 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 14} ( segid " " and resid 93 and name HE% ) (( segid " " and resid 91 and name HA )) 4.000 2.200 1.000 peak 14 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 16} ( segid " " and resid 93 and name HE% ) ( segid " " and resid 91 and name HD1%) 3.200 1.400 0.800 peak 16 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 17} (( segid " " and resid 58 and name HA )) ( segid " " and resid 94 and name HD2%) 3.200 1.400 0.800 peak 17 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 18} (( segid " " and resid 29 and name HA )) ( segid " " and resid 57 and name HD2%) 3.200 1.400 0.800 peak 18 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 22} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 82 and name HA )) 4.000 2.200 1.000 peak 22 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 23} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 79 and name HB1 )) 3.200 1.400 0.800 peak 23 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 23} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 25} (( segid " " and resid 96 and name HA )) ( segid " " and resid 56 and name HG2%) 3.200 1.400 0.800 peak 25 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 27} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 74 and name HB% ) 3.200 1.400 0.800 peak 27 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 28} (( segid " " and resid 74 and name HA )) ( segid " " and resid 45 and name HD2%) 3.200 1.400 0.800 peak 28 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 29} (( segid " " and resid 45 and name HA )) (( segid " " and resid 74 and name HA )) 3.200 1.400 0.800 peak 29 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 30} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 73 and name HB1 )) 3.200 1.400 0.800 peak 30 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 30} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 73 and name HB2 )) ASSI { 31} (( segid " " and resid 84 and name HG12)) ( segid " " and resid 91 and name HD1%) 3.200 1.400 0.800 peak 31 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 31} (( segid " " and resid 84 and name HG11)) ( segid " " and resid 91 and name HD1%) ASSI { 32} ( segid " " and resid 91 and name HD1%) ( segid " " and resid 84 and name HG2%) 3.200 1.400 0.800 peak 32 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 33} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 86 and name HG2 )) 3.200 1.400 0.800 peak 33 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 33} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 86 and name HG1 )) ASSI { 35} (( segid " " and resid 86 and name HA )) ( segid " " and resid 91 and name HG2%) 4.000 2.200 1.000 peak 35 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 37} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 84 and name HB )) 3.200 1.400 0.800 peak 37 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 38} (( segid " " and resid 45 and name HA )) (( segid " " and resid 73 and name HB1 )) 3.200 1.400 0.800 peak 38 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 38} (( segid " " and resid 45 and name HA )) (( segid " " and resid 73 and name HB2 )) ASSI { 39} (( segid " " and resid 44 and name HA )) (( segid " " and resid 41 and name HA )) 4.000 2.200 1.000 peak 39 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 41} (( segid " " and resid 41 and name HA )) ( segid " " and resid 44 and name HG2%) 4.000 2.200 1.000 peak 41 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 43} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 44 and name HG2%) 4.000 2.200 1.000 peak 43 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 44} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 70 and name HG11)) 4.000 2.200 1.000 peak 44 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 44} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 70 and name HG12)) ASSI { 45} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 44 and name HA )) 4.000 2.200 1.000 peak 45 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 47} (( segid " " and resid 56 and name HN )) (( segid " " and resid 27 and name HN )) 3.200 1.400 0.800 peak 47 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 50} (( segid " " and resid 92 and name HN )) (( segid " " and resid 85 and name HN )) 3.200 1.400 0.800 peak 50 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 55} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 56 and name HN )) 4.000 2.200 1.000 peak 55 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 55} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 56 and name HN )) ASSI { 57} (( segid " " and resid 56 and name HB )) (( segid " " and resid 27 and name HN )) 3.200 1.400 0.800 peak 57 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 58} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 27 and name HN )) 4.000 2.200 1.000 peak 58 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 OR { 58} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 27 and name HN )) ASSI { 59} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HN )) 3.200 1.400 0.800 peak 59 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 60} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.400 0.800 peak 60 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 61} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) 3.200 1.400 0.800 peak 61 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 62} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.200 1.400 0.800 peak 62 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 63} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) 3.200 1.400 0.800 peak 63 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 64} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.200 1.400 0.800 peak 64 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 65} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.200 1.400 0.800 peak 65 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 66} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HN )) 3.200 1.400 0.800 peak 66 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 67} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HN )) 3.200 1.400 0.800 peak 67 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 68} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 3.200 1.400 0.800 peak 68 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 69} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HN )) 3.200 1.400 0.800 peak 69 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 70} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HN )) 3.200 1.400 0.800 peak 70 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 71} (( segid " " and resid 58 and name HN )) (( segid " " and resid 30 and name HN )) 4.000 2.200 1.000 peak 71 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 72} (( segid " " and resid 91 and name HN )) (( segid " " and resid 61 and name HN )) 3.200 1.400 0.800 peak 72 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 73} (( segid " " and resid 92 and name HA )) (( segid " " and resid 61 and name HN )) 3.200 1.400 0.800 peak 73 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 75} (( segid " " and resid 62 and name HA )) (( segid " " and resid 91 and name HN )) 3.200 1.400 0.800 peak 75 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 76} (( segid " " and resid 84 and name HA )) (( segid " " and resid 94 and name HN )) 3.200 1.400 0.800 peak 76 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 77} (( segid " " and resid 57 and name HN )) (( segid " " and resid 95 and name HN )) 3.200 1.400 0.800 peak 77 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 78} (( segid " " and resid 56 and name HA )) (( segid " " and resid 97 and name HN )) 3.200 1.400 0.800 peak 78 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 81} ( segid " " and resid 93 and name HD% ) (( segid " " and resid 59 and name HN )) 4.000 2.200 1.000 peak 81 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 82} (( segid " " and resid 60 and name HA )) (( segid " " and resid 93 and name HN )) 3.200 1.400 0.800 peak 82 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 86} (( segid " " and resid 96 and name HA )) (( segid " " and resid 57 and name HN )) 3.200 1.400 0.800 peak 86 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 87} (( segid " " and resid 94 and name HA )) (( segid " " and resid 59 and name HN )) 3.200 1.400 0.800 peak 87 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 88} (( segid " " and resid 87 and name HN )) (( segid " " and resid 90 and name HN )) 3.200 1.400 0.800 peak 88 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 89} (( segid " " and resid 59 and name HA )) (( segid " " and resid 30 and name HN )) 3.200 1.400 0.800 peak 89 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 90} (( segid " " and resid 57 and name HA )) (( segid " " and resid 28 and name HN )) 3.200 1.400 0.800 peak 90 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 91} (( segid " " and resid 29 and name HA )) (( segid " " and resid 58 and name HN )) 3.200 1.400 0.800 peak 91 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 93} (( segid " " and resid 32 and name HN )) (( segid " " and resid 60 and name HN )) 3.200 1.400 0.800 peak 93 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 94} (( segid " " and resid 34 and name HN )) (( segid " " and resid 62 and name HN )) 3.200 1.400 0.800 peak 94 weight 0.10000E+01 volume 0.00000E+00 ppm1 -999.000 ppm2 -999.000 ASSI { 138} (( segid " " and resid 54 and name HA1 )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 138 weight 0.10000E+01 volume 0.42660E+04 ppm1 4.062 ppm2 9.707 ASSI { 139} (( segid " " and resid 34 and name HA2 )) (( segid " " and resid 34 and name HN )) 2.700 0.900 0.900 peak 139 weight 0.10000E+01 volume 0.18630E+04 ppm1 3.920 ppm2 10.404 ASSI { 140} (( segid " " and resid 34 and name HA1 )) (( segid " " and resid 34 and name HN )) 2.900 1.100 1.100 peak 140 weight 0.10000E+01 volume 0.12070E+04 ppm1 4.163 ppm2 10.404 ASSI { 144} (( segid " " and resid 58 and name HA )) (( segid " " and resid 30 and name HN )) 3.300 3.300 2.200 peak 144 weight 0.10000E+01 volume 0.59000E+03 ppm1 5.925 ppm2 9.734 ASSI { 149} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 149 weight 0.10000E+01 volume 0.38060E+04 ppm1 4.520 ppm2 9.542 ASSI { 159} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.600 0.800 0.800 peak 159 weight 0.10000E+01 volume 0.26670E+04 ppm1 5.266 ppm2 9.233 ASSI { 164} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 34 and name HN )) 4.000 2.200 1.000 peak 164 weight 0.10000E+01 volume 0.16100E+04 ppm1 1.181 ppm2 10.406 ASSI { 165} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HN )) 3.200 3.200 2.300 peak 165 weight 0.10000E+01 volume 0.75000E+03 ppm1 1.272 ppm2 10.406 ASSI { 166} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 2.600 0.800 0.800 peak 166 weight 0.10000E+01 volume 0.27350E+04 ppm1 4.804 ppm2 9.992 ASSI { 167} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 167 weight 0.10000E+01 volume 0.16680E+04 ppm1 5.154 ppm2 9.993 ASSI { 168} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 56 and name HN )) 3.200 1.300 1.300 peak 168 weight 0.10000E+01 volume 0.75900E+03 ppm1 2.985 ppm2 9.989 ASSI { 170} ( segid " " and resid 57 and name HD2%) (( segid " " and resid 56 and name HN )) 4.000 2.200 1.000 peak 170 weight 0.10000E+01 volume 0.13930E+04 ppm1 0.985 ppm2 9.988 ASSI { 181} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 181 weight 0.10000E+01 volume 0.16360E+04 ppm1 2.220 ppm2 9.988 ASSI { 182} (( segid " " and resid 56 and name HB )) (( segid " " and resid 57 and name HN )) 3.300 1.400 1.400 peak 182 weight 0.10000E+01 volume 0.61200E+03 ppm1 1.971 ppm2 9.882 ASSI { 183} (( segid " " and resid 57 and name HG )) (( segid " " and resid 57 and name HN )) 2.800 2.800 2.700 peak 183 weight 0.10000E+01 volume 0.16990E+04 ppm1 1.690 ppm2 9.882 ASSI { 188} (( segid " " and resid 59 and name HB )) (( segid " " and resid 93 and name HN )) 3.300 3.300 2.200 peak 188 weight 0.10000E+01 volume 0.59700E+03 ppm1 2.342 ppm2 9.824 ASSI { 191} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 93 and name HN )) 3.300 1.400 1.400 peak 191 weight 0.10000E+01 volume 0.62200E+03 ppm1 1.190 ppm2 9.824 ASSI { 193} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) 3.100 3.100 2.400 peak 193 weight 0.10000E+01 volume 0.87300E+03 ppm1 5.156 ppm2 9.736 ASSI { 198} ( segid " " and resid 57 and name HD2%) (( segid " " and resid 30 and name HN )) 2.800 2.800 2.700 peak 198 weight 0.10000E+01 volume 0.14410E+04 ppm1 1.026 ppm2 9.732 ASSI { 200} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HN )) 2.700 2.700 2.800 peak 200 weight 0.10000E+01 volume 0.18740E+04 ppm1 4.783 ppm2 9.707 ASSI { 201} (( segid " " and resid 70 and name HG1%)) (( segid " " and resid 30 and name HN )) 4.000 2.200 1.000 peak 201 weight 0.10000E+01 volume 0.15320E+04 ppm1 1.054 ppm2 9.712 ASSI { 202} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 30 and name HN )) 4.000 2.200 1.000 peak 202 weight 0.10000E+01 volume 0.11630E+04 ppm1 1.180 ppm2 9.711 ASSI { 203} (( segid " " and resid 30 and name HG )) (( segid " " and resid 30 and name HN )) 2.800 2.800 2.700 peak 203 weight 0.10000E+01 volume 0.16760E+04 ppm1 1.726 ppm2 9.710 ASSI { 212} (( segid " " and resid 51 and name HG )) (( segid " " and resid 52 and name HN )) 3.100 3.100 2.400 peak 212 weight 0.10000E+01 volume 0.19480E+04 ppm1 2.219 ppm2 9.541 ASSI { 216} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 216 weight 0.10000E+01 volume 0.19820E+04 ppm1 4.582 ppm2 9.426 ASSI { 219} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 81 and name HN )) 3.000 1.100 1.100 peak 219 weight 0.10000E+01 volume 0.98100E+03 ppm1 1.863 ppm2 9.434 ASSI { 220} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 3.000 3.000 2.500 peak 220 weight 0.10000E+01 volume 0.10240E+04 ppm1 1.740 ppm2 9.400 ASSI { 222} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HN )) 2.700 2.700 2.800 peak 222 weight 0.10000E+01 volume 0.21100E+04 ppm1 1.132 ppm2 9.398 ASSI { 232} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 3.000 1.100 1.100 peak 232 weight 0.10000E+01 volume 0.94800E+03 ppm1 5.427 ppm2 9.022 ASSI { 239} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 239 weight 0.10000E+01 volume 0.96800E+03 ppm1 5.634 ppm2 8.982 ASSI { 241} (( segid " " and resid 90 and name HB )) (( segid " " and resid 62 and name HN )) 2.900 2.900 2.600 peak 241 weight 0.10000E+01 volume 0.12710E+04 ppm1 4.411 ppm2 8.988 ASSI { 246} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) 2.700 0.900 0.900 peak 246 weight 0.10000E+01 volume 0.20130E+04 ppm1 4.670 ppm2 8.874 ASSI { 252} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.600 0.800 0.800 peak 252 weight 0.10000E+01 volume 0.22750E+04 ppm1 2.342 ppm2 8.864 ASSI { 253} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.600 0.800 0.800 peak 253 weight 0.10000E+01 volume 0.27150E+04 ppm1 3.351 ppm2 8.864 ASSI { 260} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 260 weight 0.10000E+01 volume 0.18970E+04 ppm1 5.523 ppm2 8.719 ASSI { 263} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.000 1.100 1.100 peak 263 weight 0.10000E+01 volume 0.10680E+04 ppm1 5.430 ppm2 8.742 ASSI { 265} (( segid " " and resid 91 and name HA )) (( segid " " and resid 87 and name HN )) 2.500 0.800 0.800 peak 265 weight 0.10000E+01 volume 0.30960E+04 ppm1 4.792 ppm2 8.705 ASSI { 267} (( segid " " and resid 54 and name HA1 )) (( segid " " and resid 55 and name HN )) 2.900 1.100 1.100 peak 267 weight 0.10000E+01 volume 0.11530E+04 ppm1 4.064 ppm2 8.707 ASSI { 269} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HN )) 2.700 2.700 2.800 peak 269 weight 0.10000E+01 volume 0.20390E+04 ppm1 2.505 ppm2 8.706 ASSI { 270} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.600 2.600 2.900 peak 270 weight 0.10000E+01 volume 0.22380E+04 ppm1 2.224 ppm2 8.704 ASSI { 271} (( segid " " and resid 54 and name HA2 )) (( segid " " and resid 97 and name HN )) 4.000 2.200 1.000 peak 271 weight 0.10000E+01 volume 0.11800E+04 ppm1 3.916 ppm2 8.742 ASSI { 272} (( segid " " and resid 61 and name HA )) (( segid " " and resid 33 and name HN )) 3.100 3.100 2.400 peak 272 weight 0.10000E+01 volume 0.82900E+03 ppm1 4.865 ppm2 8.742 ASSI { 273} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 273 weight 0.10000E+01 volume 0.37830E+04 ppm1 2.535 ppm2 8.744 ASSI { 275} (( segid " " and resid 56 and name HB )) (( segid " " and resid 97 and name HN )) 2.900 2.900 2.600 peak 275 weight 0.10000E+01 volume 0.12850E+04 ppm1 1.987 ppm2 8.742 ASSI { 276} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 97 and name HN )) 2.700 2.700 2.800 peak 276 weight 0.10000E+01 volume 0.17430E+04 ppm1 1.128 ppm2 8.742 ASSI { 277} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HN )) 2.200 2.200 3.300 peak 277 weight 0.10000E+01 volume 0.59770E+04 ppm1 1.264 ppm2 8.740 ASSI { 278} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 33 and name HN )) 2.400 2.400 3.100 peak 278 weight 0.10000E+01 volume 0.37260E+04 ppm1 1.178 ppm2 8.742 ASSI { 309} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 309 weight 0.10000E+01 volume 0.15040E+04 ppm1 3.795 ppm2 8.269 ASSI { 311} (( segid " " and resid 42 and name HB )) (( segid " " and resid 42 and name HN )) 2.400 0.700 0.700 peak 311 weight 0.10000E+01 volume 0.44250E+04 ppm1 2.344 ppm2 8.268 ASSI { 313} (( segid " " and resid 30 and name HG )) (( segid " " and resid 42 and name HN )) 2.600 2.600 2.900 peak 313 weight 0.10000E+01 volume 0.22490E+04 ppm1 1.773 ppm2 8.269 ASSI { 314} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HN )) 2.300 0.700 0.700 peak 314 weight 0.10000E+01 volume 0.49810E+04 ppm1 1.297 ppm2 8.269 ASSI { 326} (( segid " " and resid 30 and name HG )) (( segid " " and resid 41 and name HN )) 2.600 0.800 0.800 peak 326 weight 0.10000E+01 volume 0.22090E+04 ppm1 1.773 ppm2 8.109 ASSI { 333} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 47 and name HN )) 2.900 2.900 2.600 peak 333 weight 0.10000E+01 volume 0.13890E+04 ppm1 2.874 ppm2 7.903 ASSI { 334} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 334 weight 0.10000E+01 volume 0.15780E+04 ppm1 3.397 ppm2 7.903 ASSI { 337} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 337 weight 0.10000E+01 volume 0.30040E+04 ppm1 4.496 ppm2 7.888 ASSI { 354} (( segid " " and resid 51 and name HG )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 354 weight 0.10000E+01 volume 0.26950E+04 ppm1 2.245 ppm2 7.786 ASSI { 369} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 2.600 2.600 2.900 peak 369 weight 0.10000E+01 volume 0.23290E+04 ppm1 4.652 ppm2 7.499 ASSI { 378} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.600 0.800 0.800 peak 378 weight 0.10000E+01 volume 0.24680E+04 ppm1 5.926 ppm2 9.651 ASSI { 380} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 3.200 1.300 1.300 peak 380 weight 0.10000E+01 volume 0.70400E+03 ppm1 5.637 ppm2 8.390 ASSI { 385} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HN )) 3.000 1.100 1.100 peak 385 weight 0.10000E+01 volume 0.95800E+03 ppm1 5.626 ppm2 8.950 ASSI { 386} (( segid " " and resid 91 and name HA )) (( segid " " and resid 92 and name HN )) 2.400 0.700 0.700 peak 386 weight 0.10000E+01 volume 0.41010E+04 ppm1 4.776 ppm2 8.950 ASSI { 573} (( segid " " and resid 33 and name HB )) (( segid " " and resid 34 and name HN )) 3.500 1.500 1.500 peak 573 weight 0.10000E+01 volume 0.42500E+03 ppm1 2.537 ppm2 10.405 ASSI { 578} (( segid " " and resid 34 and name HA2 )) (( segid " " and resid 62 and name HN )) 3.000 3.000 2.500 peak 578 weight 0.10000E+01 volume 0.10970E+04 ppm1 3.917 ppm2 8.975 ASSI { 593} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 54 and name HN )) 3.100 1.200 1.200 peak 593 weight 0.10000E+01 volume 0.83900E+03 ppm1 1.474 ppm2 9.729 ASSI { 610} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 610 weight 0.10000E+01 volume 0.16860E+04 ppm1 4.375 ppm2 7.890 ASSI { 620} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 52 and name HN )) 3.200 3.200 2.300 peak 620 weight 0.10000E+01 volume 0.69000E+03 ppm1 2.507 ppm2 9.540 ASSI { 624} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 82 and name HN )) 2.900 2.900 2.600 peak 624 weight 0.10000E+01 volume 0.12470E+04 ppm1 1.447 ppm2 9.407 ASSI { 641} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.800 2.800 2.700 peak 641 weight 0.10000E+01 volume 0.16500E+04 ppm1 2.221 ppm2 9.217 ASSI { 642} (( segid " " and resid 25 and name HB )) (( segid " " and resid 27 and name HN )) 2.800 2.800 2.700 peak 642 weight 0.10000E+01 volume 0.16100E+04 ppm1 2.272 ppm2 9.225 ASSI { 644} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 27 and name HN )) 2.900 2.900 2.600 peak 644 weight 0.10000E+01 volume 0.13370E+04 ppm1 2.476 ppm2 9.223 ASSI { 645} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 27 and name HN )) 3.000 3.000 2.500 peak 645 weight 0.10000E+01 volume 0.10430E+04 ppm1 2.534 ppm2 9.225 ASSI { 650} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 92 and name HN )) 3.100 1.200 1.200 peak 650 weight 0.10000E+01 volume 0.84600E+03 ppm1 2.319 ppm2 8.968 ASSI { 653} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 74 and name HN )) 4.000 2.200 1.000 peak 653 weight 0.10000E+01 volume 0.36980E+04 ppm1 1.668 ppm2 8.883 ASSI { 658} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 62 and name HN )) 3.000 3.000 2.500 peak 658 weight 0.10000E+01 volume 0.10450E+04 ppm1 1.263 ppm2 8.976 ASSI { 660} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 74 and name HN )) 2.900 2.900 2.600 peak 660 weight 0.10000E+01 volume 0.12550E+04 ppm1 1.294 ppm2 8.864 ASSI { 662} ( segid " " and resid 91 and name HG2%) (( segid " " and resid 87 and name HN )) 2.900 2.900 2.600 peak 662 weight 0.10000E+01 volume 0.11670E+04 ppm1 1.075 ppm2 8.710 ASSI { 663} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 55 and name HN )) 3.000 3.000 2.500 peak 663 weight 0.10000E+01 volume 0.11230E+04 ppm1 1.835 ppm2 8.721 ASSI { 673} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 42 and name HN )) 4.000 2.200 1.000 peak 673 weight 0.10000E+01 volume 0.36690E+04 ppm1 1.704 ppm2 8.286 ASSI { 684} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 3.000 1.100 1.100 peak 684 weight 0.10000E+01 volume 0.11430E+04 ppm1 2.755 ppm2 7.908 ASSI { 690} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 690 weight 0.10000E+01 volume 0.19740E+04 ppm1 2.380 ppm2 7.786 ASSI { 760} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.000 3.000 2.500 peak 760 weight 0.10000E+01 volume 0.10520E+04 ppm1 2.346 ppm2 7.095 ASSI { 773} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 2.900 1.100 1.100 peak 773 weight 0.10000E+01 volume 0.11610E+04 ppm1 5.217 ppm2 9.115 ASSI { 777} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.600 0.800 0.800 peak 777 weight 0.10000E+01 volume 0.24590E+04 ppm1 4.828 ppm2 8.860 ASSI { 788} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 788 weight 0.10000E+01 volume 0.20870E+04 ppm1 4.384 ppm2 8.857 ASSI { 799} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 2.900 1.100 1.100 peak 799 weight 0.10000E+01 volume 0.12590E+04 ppm1 4.284 ppm2 8.278 ASSI { 155} (( segid " " and resid 59 and name HB )) (( segid " " and resid 58 and name HA )) 3.300 1.400 1.400 peak 155 weight 0.10000E+01 volume 0.29880E+04 ppm1 2.334 ppm2 5.932 ASSI { 156} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HA )) 4.000 2.200 1.000 peak 156 weight 0.10000E+01 volume 0.47830E+04 ppm1 2.240 ppm2 5.932 ASSI { 177} (( segid " " and resid 57 and name HG )) (( segid " " and resid 94 and name HA )) 3.700 1.700 1.700 peak 177 weight 0.10000E+01 volume 0.13090E+04 ppm1 1.677 ppm2 5.680 ASSI { 178} (( segid " " and resid 94 and name HG )) (( segid " " and resid 94 and name HA )) 2.900 1.100 1.100 peak 178 weight 0.10000E+01 volume 0.64110E+04 ppm1 1.982 ppm2 5.668 ASSI { 180} (( segid " " and resid 59 and name HB )) (( segid " " and resid 94 and name HA )) 3.900 1.900 1.600 peak 180 weight 0.10000E+01 volume 0.10560E+04 ppm1 2.357 ppm2 5.662 ASSI { 181} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 94 and name HA )) 3.200 1.300 1.300 peak 181 weight 0.10000E+01 volume 0.30960E+04 ppm1 1.489 ppm2 5.662 ASSI { 182} ( segid " " and resid 57 and name HD2%) (( segid " " and resid 94 and name HA )) 3.300 3.300 2.200 peak 182 weight 0.10000E+01 volume 0.26670E+04 ppm1 1.020 ppm2 5.662 ASSI { 195} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 195 weight 0.10000E+01 volume 0.20530E+04 ppm1 1.489 ppm2 5.539 ASSI { 196} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HA )) 3.400 3.400 2.100 peak 196 weight 0.10000E+01 volume 0.25380E+04 ppm1 1.137 ppm2 5.539 ASSI { 214} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HA )) 2.600 2.600 2.900 peak 214 weight 0.10000E+01 volume 0.12790E+05 ppm1 1.254 ppm2 5.445 ASSI { 215} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.100 1.200 1.200 peak 215 weight 0.10000E+01 volume 0.40270E+04 ppm1 2.357 ppm2 5.433 ASSI { 220} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 220 weight 0.10000E+01 volume 0.29280E+04 ppm1 2.569 ppm2 5.422 ASSI { 224} (( segid " " and resid 70 and name HG1%)) (( segid " " and resid 59 and name HA )) 4.000 2.200 1.000 peak 224 weight 0.10000E+01 volume 0.49810E+04 ppm1 1.090 ppm2 5.410 ASSI { 240} (( segid " " and resid 94 and name HG )) (( segid " " and resid 93 and name HA )) 3.300 1.400 1.400 peak 240 weight 0.10000E+01 volume 0.26870E+04 ppm1 2.029 ppm2 5.275 ASSI { 244} (( segid " " and resid 92 and name HG2 )) (( segid " " and resid 93 and name HA )) 3.200 1.300 1.300 peak 244 weight 0.10000E+01 volume 0.34540E+04 ppm1 1.841 ppm2 5.263 ASSI { 260} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 56 and name HA )) 2.700 0.900 0.900 peak 260 weight 0.10000E+01 volume 0.93960E+04 ppm1 1.020 ppm2 5.152 ASSI { 261} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 261 weight 0.10000E+01 volume 0.74530E+04 ppm1 3.226 ppm2 5.146 ASSI { 264} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 56 and name HA )) 3.700 1.700 1.700 peak 264 weight 0.10000E+01 volume 0.12990E+04 ppm1 1.489 ppm2 5.146 ASSI { 271} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HA )) 2.900 1.100 1.100 peak 271 weight 0.10000E+01 volume 0.62990E+04 ppm1 1.254 ppm2 5.140 ASSI { 272} ( segid " " and resid 91 and name HG2%) (( segid " " and resid 33 and name HA )) 2.900 2.900 2.600 peak 272 weight 0.10000E+01 volume 0.56560E+04 ppm1 1.090 ppm2 5.140 ASSI { 279} (( segid " " and resid 94 and name HG )) (( segid " " and resid 83 and name HA )) 3.200 3.200 2.300 peak 279 weight 0.10000E+01 volume 0.31850E+04 ppm1 2.005 ppm2 5.122 ASSI { 296} (( segid " " and resid 95 and name HB )) (( segid " " and resid 81 and name HA )) 3.400 3.400 2.100 peak 296 weight 0.10000E+01 volume 0.22180E+04 ppm1 2.146 ppm2 5.017 ASSI { 297} (( segid " " and resid 30 and name HG )) (( segid " " and resid 30 and name HA )) 2.900 1.100 1.100 peak 297 weight 0.10000E+01 volume 0.62910E+04 ppm1 1.747 ppm2 5.017 ASSI { 299} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 299 weight 0.10000E+01 volume 0.86910E+04 ppm1 1.160 ppm2 5.017 ASSI { 314} (( segid " " and resid 90 and name HB )) (( segid " " and resid 60 and name HA )) 3.200 3.200 2.300 peak 314 weight 0.10000E+01 volume 0.33450E+04 ppm1 4.376 ppm2 5.527 ASSI { 325} (( segid " " and resid 84 and name HA )) (( segid " " and resid 83 and name HA )) 2.800 2.800 2.700 peak 325 weight 0.10000E+01 volume 0.71460E+04 ppm1 4.845 ppm2 5.146 ASSI { 345} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 80 and name HA )) 2.100 2.100 3.400 peak 345 weight 0.10000E+01 volume 0.40750E+05 ppm1 1.442 ppm2 4.823 ASSI { 349} (( segid " " and resid 51 and name HG )) (( segid " " and resid 52 and name HA )) 2.400 2.400 3.100 peak 349 weight 0.10000E+01 volume 0.19920E+05 ppm1 2.217 ppm2 4.788 ASSI { 353} (( segid " " and resid 91 and name HB )) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 353 weight 0.10000E+01 volume 0.94530E+04 ppm1 1.912 ppm2 4.776 ASSI { 358} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.500 2.500 3.000 peak 358 weight 0.10000E+01 volume 0.15000E+05 ppm1 2.217 ppm2 4.741 ASSI { 360} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 37 and name HA )) 2.300 2.300 3.200 peak 360 weight 0.10000E+01 volume 0.23810E+05 ppm1 2.569 ppm2 4.735 ASSI { 372} ( segid " " and resid 91 and name HG2%) (( segid " " and resid 66 and name HA )) 2.400 2.400 3.100 peak 372 weight 0.10000E+01 volume 0.18840E+05 ppm1 1.114 ppm2 4.682 ASSI { 375} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) 2.700 0.900 0.900 peak 375 weight 0.10000E+01 volume 0.94300E+04 ppm1 2.076 ppm2 4.665 ASSI { 386} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 90 and name HA )) 2.700 0.900 0.900 peak 386 weight 0.10000E+01 volume 0.94300E+04 ppm1 1.372 ppm2 4.594 ASSI { 389} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.500 0.800 0.800 peak 389 weight 0.10000E+01 volume 0.13640E+05 ppm1 1.865 ppm2 4.571 ASSI { 400} (( segid " " and resid 95 and name HG1%)) (( segid " " and resid 44 and name HA )) 4.000 2.200 1.000 peak 400 weight 0.10000E+01 volume 0.10040E+05 ppm1 1.184 ppm2 4.512 ASSI { 411} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 72 and name HA )) 2.700 2.700 2.800 peak 411 weight 0.10000E+01 volume 0.86910E+04 ppm1 1.301 ppm2 4.442 ASSI { 435} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 435 weight 0.10000E+01 volume 0.11470E+05 ppm1 1.653 ppm2 4.195 ASSI { 448} (( segid " " and resid 67 and name HB )) (( segid " " and resid 66 and name HB2 )) 2.200 2.200 3.300 peak 448 weight 0.10000E+01 volume 0.27800E+05 ppm1 2.123 ppm2 4.054 ASSI { 454} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 61 and name HB2 )) 2.500 2.500 3.000 peak 454 weight 0.10000E+01 volume 0.15790E+05 ppm1 1.184 ppm2 4.031 ASSI { 468} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 34 and name HA2 )) 2.400 2.400 3.100 peak 468 weight 0.10000E+01 volume 0.18250E+05 ppm1 1.207 ppm2 3.937 ASSI { 501} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 76 and name HB2 )) 2.500 2.500 3.000 peak 501 weight 0.10000E+01 volume 0.15430E+05 ppm1 2.029 ppm2 3.356 ASSI { 506} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 28 and name HB2 )) 2.600 2.600 2.900 peak 506 weight 0.10000E+01 volume 0.10570E+05 ppm1 1.653 ppm2 3.298 ASSI { 511} (( segid " " and resid 57 and name HG )) (( segid " " and resid 28 and name HB2 )) 2.700 2.700 2.800 peak 511 weight 0.10000E+01 volume 0.96570E+04 ppm1 1.700 ppm2 3.280 ASSI { 546} (( segid " " and resid 78 and name HA1 )) (( segid " " and resid 74 and name HA )) 2.500 2.500 3.000 peak 546 weight 0.10000E+01 volume 0.16270E+05 ppm1 4.047 ppm2 4.389 ASSI { 548} (( segid " " and resid 80 and name HB )) (( segid " " and resid 80 and name HA )) 2.600 0.800 0.800 peak 548 weight 0.10000E+01 volume 0.12740E+05 ppm1 4.399 ppm2 4.817 ASSI { 551} (( segid " " and resid 90 and name HB )) (( segid " " and resid 90 and name HA )) 2.800 1.000 1.000 peak 551 weight 0.10000E+01 volume 0.79190E+04 ppm1 4.376 ppm2 4.600 ASSI { 558} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 32 and name HG2 )) 2.500 2.500 3.000 peak 558 weight 0.10000E+01 volume 0.15020E+05 ppm1 1.160 ppm2 2.576 ASSI { 559} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HB )) 2.200 0.600 0.600 peak 559 weight 0.10000E+01 volume 0.35310E+05 ppm1 1.278 ppm2 2.558 ASSI { 560} (( segid " " and resid 95 and name HG12)) (( segid " " and resid 55 and name HG2 )) 4.000 2.200 1.000 peak 560 weight 0.10000E+01 volume 0.12340E+05 ppm1 1.184 ppm2 2.529 ASSI { 561} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 2.700 2.700 2.800 peak 561 weight 0.10000E+01 volume 0.97820E+04 ppm1 1.653 ppm2 2.476 ASSI { 565} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HB )) 2.500 0.800 0.800 peak 565 weight 0.10000E+01 volume 0.14520E+05 ppm1 1.301 ppm2 2.341 ASSI { 567} (( segid " " and resid 95 and name HG12)) (( segid " " and resid 57 and name HB2 )) 2.000 0.500 0.500 peak 567 weight 0.10000E+01 volume 0.60900E+05 ppm1 1.184 ppm2 2.247 ASSI { 568} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 57 and name HB2 )) 2.500 2.500 3.000 peak 568 weight 0.10000E+01 volume 0.13740E+05 ppm1 1.043 ppm2 2.224 ASSI { 571} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 94 and name HB2 )) 2.800 2.800 2.700 peak 571 weight 0.10000E+01 volume 0.81010E+04 ppm1 1.489 ppm2 2.130 ASSI { 572} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 72 and name HG )) 4.000 2.200 1.000 peak 572 weight 0.10000E+01 volume 0.15200E+05 ppm1 1.254 ppm2 2.095 ASSI { 573} (( segid " " and resid 70 and name HG12)) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 573 weight 0.10000E+01 volume 0.12970E+05 ppm1 1.067 ppm2 2.095 ASSI { 574} ( segid " " and resid 30 and name HD2%) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 574 weight 0.10000E+01 volume 0.12280E+05 ppm1 1.160 ppm2 2.089 ASSI { 577} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 48 and name HB2 )) 2.800 2.800 2.700 peak 577 weight 0.10000E+01 volume 0.80320E+04 ppm1 0.879 ppm2 2.054 ASSI { 580} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HB )) 2.200 0.600 0.600 peak 580 weight 0.10000E+01 volume 0.28360E+05 ppm1 1.137 ppm2 1.983 ASSI { 590} (( segid " " and resid 70 and name HG12)) (( segid " " and resid 30 and name HG )) 2.100 0.600 0.600 peak 590 weight 0.10000E+01 volume 0.38400E+05 ppm1 1.090 ppm2 1.743 ASSI { 592} ( segid " " and resid 57 and name HD2%) ( segid " " and resid 70 and name HG2%) 2.200 2.200 3.300 peak 592 weight 0.10000E+01 volume 0.29000E+05 ppm1 1.020 ppm2 1.684 ASSI { 593} (( segid " " and resid 70 and name HG12)) ( segid " " and resid 70 and name HG2%) 2.300 0.700 0.700 peak 593 weight 0.10000E+01 volume 0.24780E+05 ppm1 1.067 ppm2 1.678 ASSI { 610} ( segid " " and resid 95 and name HD1%) ( segid " " and resid 95 and name HG2%) 2.800 2.800 2.700 peak 610 weight 0.10000E+01 volume 0.82600E+04 ppm1 1.020 ppm2 1.485 ASSI { 594} (( segid " " and resid 79 and name HA )) ( segid " " and resid 79 and name HD% ) 5.500 3.800 0.000 peak 594 weight 0.10000E+01 volume -0.25860E+04 ppm1 7.375 ppm2 5.510 ASSI { 598} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 2.500 0.800 0.800 peak 598 weight 0.10000E+01 volume 0.24140E+04 ppm1 3.516 ppm2 5.519 ASSI { 599} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 599 weight 0.10000E+01 volume 0.13310E+04 ppm1 2.767 ppm2 5.516 ASSI { 600} ( segid " " and resid 79 and name HD% ) (( segid " " and resid 79 and name HB2 )) 2.700 0.900 0.900 peak 600 weight 0.10000E+01 volume 0.14880E+04 ppm1 2.769 ppm2 7.372 ASSI { 601} ( segid " " and resid 79 and name HD% ) (( segid " " and resid 79 and name HB1 )) 2.900 1.100 1.100 peak 601 weight 0.10000E+01 volume 0.11270E+04 ppm1 3.509 ppm2 7.362 ASSI { 609} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HD1 )) 2.200 0.600 0.600 peak 609 weight 0.10000E+01 volume 0.55110E+04 ppm1 4.558 ppm2 5.223 ASSI { 613} (( segid " " and resid 93 and name HA )) (( segid " " and resid 84 and name HA )) 2.200 0.600 0.600 peak 613 weight 0.10000E+01 volume 0.54950E+04 ppm1 4.826 ppm2 5.241 ASSI { 615} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HD1 )) 2.100 0.600 0.600 peak 615 weight 0.10000E+01 volume 0.75440E+04 ppm1 4.284 ppm2 5.425 ASSI { 618} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB1 )) 2.400 0.700 0.700 peak 618 weight 0.10000E+01 volume 0.33050E+04 ppm1 2.048 ppm2 5.923 ASSI { 619} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 2.500 0.800 0.800 peak 619 weight 0.10000E+01 volume 0.28350E+04 ppm1 2.172 ppm2 5.916 ASSI { 620} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG1 )) 2.500 0.800 0.800 peak 620 weight 0.10000E+01 volume 0.27030E+04 ppm1 2.279 ppm2 5.922 ASSI { 621} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG2 )) 2.600 0.800 0.800 peak 621 weight 0.10000E+01 volume 0.19990E+04 ppm1 2.479 ppm2 5.916 ASSI { 622} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 2.300 0.700 0.700 peak 622 weight 0.10000E+01 volume 0.40100E+04 ppm1 2.053 ppm2 5.752 ASSI { 623} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 623 weight 0.10000E+01 volume 0.35270E+04 ppm1 1.969 ppm2 5.757 ASSI { 624} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG1 )) 5.500 3.800 0.000 peak 624 weight 0.10000E+01 volume -0.22950E+04 ppm1 1.790 ppm2 5.757 ASSI { 625} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG2 )) 3.200 1.400 0.800 peak 625 weight 0.10000E+01 volume 0.22120E+04 ppm1 1.709 ppm2 5.754 ASSI { 626} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB1 )) 2.500 0.800 0.800 peak 626 weight 0.10000E+01 volume 0.25420E+04 ppm1 2.125 ppm2 5.650 ASSI { 628} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 628 weight 0.10000E+01 volume 0.13910E+04 ppm1 2.017 ppm2 5.657 ASSI { 629} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.200 0.600 0.600 peak 629 weight 0.10000E+01 volume 0.50450E+04 ppm1 3.371 ppm2 5.608 ASSI { 630} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.200 0.600 0.600 peak 630 weight 0.10000E+01 volume 0.50050E+04 ppm1 2.690 ppm2 5.606 ASSI { 631} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB1 )) 2.500 0.800 0.800 peak 631 weight 0.10000E+01 volume 0.25500E+04 ppm1 1.953 ppm2 5.610 ASSI { 632} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG2 )) 5.500 3.800 0.000 peak 632 weight 0.10000E+01 volume -0.34700E+04 ppm1 1.862 ppm2 5.609 ASSI { 633} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG1 )) 5.500 3.800 0.000 peak 633 weight 0.10000E+01 volume -0.23800E+04 ppm1 1.670 ppm2 5.609 ASSI { 634} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.300 0.700 0.700 peak 634 weight 0.10000E+01 volume 0.42600E+04 ppm1 1.908 ppm2 5.607 ASSI { 635} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG1 )) 5.500 3.800 0.000 peak 635 weight 0.10000E+01 volume -0.39360E+04 ppm1 2.404 ppm2 5.535 ASSI { 636} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB1 )) 2.500 0.800 0.800 peak 636 weight 0.10000E+01 volume 0.26300E+04 ppm1 1.992 ppm2 5.535 ASSI { 639} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HG2%) 2.400 0.700 0.700 peak 639 weight 0.10000E+01 volume 0.34820E+04 ppm1 1.165 ppm2 4.509 ASSI { 640} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB )) 2.600 0.800 0.800 peak 640 weight 0.10000E+01 volume 0.18540E+04 ppm1 2.375 ppm2 5.496 ASSI { 641} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.100 0.600 0.600 peak 641 weight 0.10000E+01 volume 0.66200E+04 ppm1 1.191 ppm2 5.498 ASSI { 642} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB )) 2.600 0.800 0.800 peak 642 weight 0.10000E+01 volume 0.20900E+04 ppm1 2.332 ppm2 5.371 ASSI { 643} (( segid " " and resid 59 and name HA )) ( segid " " and resid 59 and name HG1%) 2.200 0.600 0.600 peak 643 weight 0.10000E+01 volume 0.63150E+04 ppm1 1.168 ppm2 5.371 ASSI { 644} (( segid " " and resid 59 and name HA )) ( segid " " and resid 59 and name HG2%) 4.000 2.200 1.000 peak 644 weight 0.10000E+01 volume 0.46180E+04 ppm1 1.320 ppm2 5.366 ASSI { 645} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.700 0.900 0.900 peak 645 weight 0.10000E+01 volume 0.16680E+04 ppm1 3.238 ppm2 5.208 ASSI { 646} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.900 1.100 1.100 peak 646 weight 0.10000E+01 volume 0.11610E+04 ppm1 3.495 ppm2 5.215 ASSI { 647} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB1 )) 2.800 1.000 1.000 peak 647 weight 0.10000E+01 volume 0.14410E+04 ppm1 3.306 ppm2 5.230 ASSI { 648} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 648 weight 0.10000E+01 volume 0.21950E+04 ppm1 2.911 ppm2 5.237 ASSI { 649} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HG1 )) 2.800 1.000 1.000 peak 649 weight 0.10000E+01 volume 0.12240E+04 ppm1 2.528 ppm2 5.083 ASSI { 650} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB2 )) 2.900 1.100 1.100 peak 650 weight 0.10000E+01 volume 0.10420E+04 ppm1 2.311 ppm2 5.083 ASSI { 651} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB1 )) 2.800 1.000 1.000 peak 651 weight 0.10000E+01 volume 0.14130E+04 ppm1 2.124 ppm2 5.083 ASSI { 653} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG1 )) 2.600 0.800 0.800 peak 653 weight 0.10000E+01 volume 0.20960E+04 ppm1 1.860 ppm2 4.778 ASSI { 654} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.300 0.700 0.700 peak 654 weight 0.10000E+01 volume 0.39310E+04 ppm1 2.198 ppm2 4.776 ASSI { 655} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 655 weight 0.10000E+01 volume 0.12430E+04 ppm1 3.339 ppm2 4.798 ASSI { 658} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.400 0.700 0.700 peak 658 weight 0.10000E+01 volume 0.33210E+04 ppm1 2.326 ppm2 5.417 ASSI { 660} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HG )) 2.300 0.700 0.700 peak 660 weight 0.10000E+01 volume 0.40610E+04 ppm1 1.671 ppm2 5.271 ASSI { 661} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB1 )) 2.700 0.900 0.900 peak 661 weight 0.10000E+01 volume 0.17580E+04 ppm1 2.213 ppm2 5.271 ASSI { 662} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB )) 2.700 0.900 0.900 peak 662 weight 0.10000E+01 volume 0.16320E+04 ppm1 1.884 ppm2 4.842 ASSI { 663} (( segid " " and resid 84 and name HA )) ( segid " " and resid 84 and name HG2%) 2.800 1.000 1.000 peak 663 weight 0.10000E+01 volume 0.13310E+04 ppm1 1.284 ppm2 4.832 ASSI { 664} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG12)) 3.200 1.400 0.800 peak 664 weight 0.10000E+01 volume 0.21610E+04 ppm1 0.722 ppm2 4.839 ASSI { 667} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 2.500 0.800 0.800 peak 667 weight 0.10000E+01 volume 0.28270E+04 ppm1 1.610 ppm2 4.179 ASSI { 668} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 2.700 0.900 0.900 peak 668 weight 0.10000E+01 volume 0.15880E+04 ppm1 2.461 ppm2 4.358 ASSI { 669} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 2.700 0.900 0.900 peak 669 weight 0.10000E+01 volume 0.17210E+04 ppm1 2.303 ppm2 4.361 ASSI { 670} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HG1 )) 5.500 3.800 0.000 peak 670 weight 0.10000E+01 volume -0.58410E+04 ppm1 1.630 ppm2 4.358 ASSI { 671} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 5.500 3.800 0.000 peak 671 weight 0.10000E+01 volume -0.86230E+04 ppm1 2.300 ppm2 4.355 ASSI { 672} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.400 0.700 0.700 peak 672 weight 0.10000E+01 volume 0.31490E+04 ppm1 2.467 ppm2 4.349 ASSI { 673} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) 2.800 1.000 1.000 peak 673 weight 0.10000E+01 volume 0.14070E+04 ppm1 2.708 ppm2 4.348 ASSI { 674} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.100 0.600 0.600 peak 674 weight 0.10000E+01 volume 0.68530E+04 ppm1 2.004 ppm2 4.405 ASSI { 675} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 5.500 3.800 0.000 peak 675 weight 0.10000E+01 volume -0.42090E+04 ppm1 2.305 ppm2 4.403 ASSI { 676} (( segid " " and resid 72 and name HA )) ( segid " " and resid 72 and name HD2%) 5.500 3.800 0.000 peak 676 weight 0.10000E+01 volume -0.58170E+04 ppm1 1.254 ppm2 4.407 ASSI { 677} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HB% ) 2.100 0.600 0.600 peak 677 weight 0.10000E+01 volume 0.69740E+04 ppm1 1.689 ppm2 4.354 ASSI { 679} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HB% ) 5.500 3.800 0.000 peak 679 weight 0.10000E+01 volume -0.88620E+04 ppm1 1.634 ppm2 4.481 ASSI { 682} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HB1 )) 3.000 1.100 1.100 peak 682 weight 0.10000E+01 volume 0.92400E+03 ppm1 2.717 ppm2 4.555 ASSI { 683} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HG1 )) 2.300 0.700 0.700 peak 683 weight 0.10000E+01 volume 0.41580E+04 ppm1 2.454 ppm2 4.567 ASSI { 684} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HG1 )) 2.200 0.600 0.600 peak 684 weight 0.10000E+01 volume 0.63150E+04 ppm1 2.450 ppm2 4.292 ASSI { 685} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HG1 )) 2.900 1.100 1.100 peak 685 weight 0.10000E+01 volume 0.10260E+04 ppm1 2.658 ppm2 4.292 ASSI { 688} (( segid " " and resid 91 and name HA )) ( segid " " and resid 91 and name HG2%) 2.500 0.800 0.800 peak 688 weight 0.10000E+01 volume 0.24900E+04 ppm1 1.046 ppm2 4.758 ASSI { 689} (( segid " " and resid 91 and name HA )) ( segid " " and resid 91 and name HD1%) 5.500 3.800 0.000 peak 689 weight 0.10000E+01 volume -0.25980E+04 ppm1 0.474 ppm2 4.758 ASSI { 695} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 86 and name HA )) 2.800 1.000 1.000 peak 695 weight 0.10000E+01 volume 0.12010E+04 ppm1 5.088 ppm2 0.472 ASSI { 698} (( segid " " and resid 94 and name HG )) ( segid " " and resid 94 and name HD2%) 2.400 0.700 0.700 peak 698 weight 0.10000E+01 volume 0.37040E+04 ppm1 1.129 ppm2 1.464 ASSI { 700} (( segid " " and resid 94 and name HG )) (( segid " " and resid 94 and name HB1 )) 5.500 3.800 0.000 peak 700 weight 0.10000E+01 volume -0.65720E+04 ppm1 2.111 ppm2 1.471 ASSI { 702} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HD2%) 3.100 3.100 2.400 peak 702 weight 0.10000E+01 volume 0.67890E+04 ppm1 1.055 ppm2 5.274 ASSI { 706} (( segid " " and resid 29 and name HA )) (( segid " " and resid 58 and name HG2 )) 5.500 3.800 0.000 peak 706 weight 0.10000E+01 volume -0.30640E+04 ppm1 2.479 ppm2 5.757 ASSI { 707} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HD2%) 5.500 3.800 0.000 peak 707 weight 0.10000E+01 volume -0.66680E+04 ppm1 1.119 ppm2 5.646 ASSI { 710} (( segid " " and resid 82 and name HA )) (( segid " " and resid 95 and name HA )) 2.300 0.700 0.700 peak 710 weight 0.10000E+01 volume 0.45270E+04 ppm1 5.135 ppm2 4.560 ASSI { 712} (( segid " " and resid 95 and name HB )) ( segid " " and resid 95 and name HG2%) 2.100 0.600 0.600 peak 712 weight 0.10000E+01 volume 0.78850E+04 ppm1 1.617 ppm2 2.122 ASSI { 713} (( segid " " and resid 95 and name HB )) (( segid " " and resid 95 and name HG11)) 2.800 1.000 1.000 peak 713 weight 0.10000E+01 volume 0.13370E+04 ppm1 1.244 ppm2 2.150 OR { 713} (( segid " " and resid 95 and name HB )) (( segid " " and resid 95 and name HG12)) ASSI { 715} (( segid " " and resid 95 and name HB )) (( segid " " and resid 95 and name HA )) 2.900 1.100 1.100 peak 715 weight 0.10000E+01 volume 0.10820E+04 ppm1 5.153 ppm2 2.145 ASSI { 716} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD1%) 5.500 3.800 0.000 peak 716 weight 0.10000E+01 volume -0.11570E+05 ppm1 1.258 ppm2 2.555 ASSI { 720} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 720 weight 0.10000E+01 volume 0.18910E+04 ppm1 2.557 ppm2 4.560 ASSI { 721} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) 2.000 0.500 0.500 peak 721 weight 0.10000E+01 volume 0.11330E+05 ppm1 1.266 ppm2 4.558 ASSI { 722} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 79 and name HB2 )) 5.500 3.800 0.000 peak 722 weight 0.10000E+01 volume -0.20990E+04 ppm1 2.784 ppm2 1.003 ASSI { 723} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 79 and name HB1 )) 2.300 0.700 0.700 peak 723 weight 0.10000E+01 volume 0.41810E+04 ppm1 3.514 ppm2 1.009 ASSI { 724} (( segid " " and resid 96 and name HA )) ( segid " " and resid 95 and name HD1%) 2.600 0.800 0.800 peak 724 weight 0.10000E+01 volume 0.19940E+04 ppm1 0.976 ppm2 5.533 ASSI { 727} (( segid " " and resid 59 and name HA )) (( segid " " and resid 58 and name HB1 )) 5.500 3.800 0.000 peak 727 weight 0.10000E+01 volume -0.20330E+04 ppm1 2.070 ppm2 5.371 ASSI { 728} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HG2%) 2.500 0.800 0.800 peak 728 weight 0.10000E+01 volume 0.25420E+04 ppm1 0.961 ppm2 5.141 ASSI { 729} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HD1%) 2.500 0.800 0.800 peak 729 weight 0.10000E+01 volume 0.26100E+04 ppm1 1.001 ppm2 5.143 ASSI { 730} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HB1 )) 5.500 3.800 0.000 peak 730 weight 0.10000E+01 volume -0.12830E+04 ppm1 2.193 ppm2 5.129 ASSI { 735} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HG1 )) 2.500 0.800 0.800 peak 735 weight 0.10000E+01 volume 0.22970E+04 ppm1 2.550 ppm2 4.943 ASSI { 736} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB1 )) 2.400 0.700 0.700 peak 736 weight 0.10000E+01 volume 0.34620E+04 ppm1 2.283 ppm2 4.943 ASSI { 737} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) 2.600 0.800 0.800 peak 737 weight 0.10000E+01 volume 0.21040E+04 ppm1 2.066 ppm2 4.947 ASSI { 746} (( segid " " and resid 45 and name HG )) ( segid " " and resid 45 and name HD2%) 2.600 0.800 0.800 peak 746 weight 0.10000E+01 volume 0.20990E+04 ppm1 0.862 ppm2 1.623 ASSI { 747} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB1 )) 5.500 3.800 0.000 peak 747 weight 0.10000E+01 volume -0.82600E+04 ppm1 2.119 ppm2 1.619 ASSI { 748} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB2 )) 2.600 0.800 0.800 peak 748 weight 0.10000E+01 volume 0.22660E+04 ppm1 2.027 ppm2 1.618 ASSI { 754} (( segid " " and resid 74 and name HA )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 754 weight 0.10000E+01 volume 0.12100E+04 ppm1 2.797 ppm2 4.346 ASSI { 757} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 757 weight 0.10000E+01 volume 0.36010E+04 ppm1 2.237 ppm2 4.706 ASSI { 758} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG1 )) 5.500 3.800 0.000 peak 758 weight 0.10000E+01 volume -0.95090E+04 ppm1 1.175 ppm2 4.705 ASSI { 759} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG2%) 3.100 1.200 1.200 peak 759 weight 0.10000E+01 volume 0.73500E+03 ppm1 1.181 ppm2 4.196 ASSI { 761} (( segid " " and resid 84 and name HG12)) (( segid " " and resid 84 and name HB )) 2.000 0.500 0.500 peak 761 weight 0.10000E+01 volume 0.98050E+04 ppm1 1.877 ppm2 0.724 ASSI { 763} (( segid " " and resid 84 and name HG11)) ( segid " " and resid 84 and name HG2%) 1.900 0.500 0.500 peak 763 weight 0.10000E+01 volume 0.13530E+05 ppm1 1.269 ppm2 0.723 ASSI { 766} (( segid " " and resid 84 and name HB )) ( segid " " and resid 84 and name HG2%) 2.300 0.700 0.700 peak 766 weight 0.10000E+01 volume 0.41980E+04 ppm1 1.278 ppm2 1.879 ASSI { 768} (( segid " " and resid 91 and name HB )) ( segid " " and resid 91 and name HG2%) 2.400 0.700 0.700 peak 768 weight 0.10000E+01 volume 0.36470E+04 ppm1 1.034 ppm2 1.885 ASSI { 770} (( segid " " and resid 84 and name HG12)) ( segid " " and resid 91 and name HD1%) 5.500 3.800 0.000 peak 770 weight 0.10000E+01 volume -0.90210E+04 ppm1 0.467 ppm2 0.722 ASSI { 771} ( segid " " and resid 91 and name HD1%) ( segid " " and resid 91 and name HG2%) 2.000 0.500 0.500 peak 771 weight 0.10000E+01 volume 0.99780E+04 ppm1 1.037 ppm2 0.468 ASSI { 773} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 86 and name HG1 )) 3.000 1.100 1.100 peak 773 weight 0.10000E+01 volume 0.90600E+03 ppm1 2.520 ppm2 0.469 ASSI { 778} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 91 and name HB )) 2.100 0.600 0.600 peak 778 weight 0.10000E+01 volume 0.78050E+04 ppm1 1.891 ppm2 0.469 ASSI { 780} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.400 0.700 0.700 peak 780 weight 0.10000E+01 volume 0.34940E+04 ppm1 2.244 ppm2 5.406 ASSI { 783} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG1 )) 4.000 2.200 1.000 peak 783 weight 0.10000E+01 volume 0.23370E+04 ppm1 2.670 ppm2 5.408 ASSI { 786} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) 5.500 3.800 0.000 peak 786 weight 0.10000E+01 volume -0.89530E+04 ppm1 2.707 ppm2 2.479 ASSI { 787} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 41 and name HA )) 2.000 0.500 0.500 peak 787 weight 0.10000E+01 volume 0.92480E+04 ppm1 4.264 ppm2 1.754 ASSI { 791} (( segid " " and resid 41 and name HA )) ( segid " " and resid 57 and name HD2%) 5.500 3.800 0.000 peak 791 weight 0.10000E+01 volume -0.22830E+04 ppm1 1.041 ppm2 4.262 ASSI { 793} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HG11)) 2.300 0.700 0.700 peak 793 weight 0.10000E+01 volume 0.44020E+04 ppm1 1.040 ppm2 0.652 OR { 793} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HG12)) ASSI { 794} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HB )) 5.500 3.800 0.000 peak 794 weight 0.10000E+01 volume -0.33940E+04 ppm1 1.823 ppm2 0.642 ASSI { 795} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 70 and name HG2%) 2.500 0.800 0.800 peak 795 weight 0.10000E+01 volume 0.23320E+04 ppm1 1.674 ppm2 0.649 ASSI { 796} (( segid " " and resid 41 and name HA )) ( segid " " and resid 70 and name HD1%) 2.800 1.000 1.000 peak 796 weight 0.10000E+01 volume 0.13450E+04 ppm1 0.628 ppm2 4.257 ASSI { 797} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 59 and name HG1%) 5.500 3.800 0.000 peak 797 weight 0.10000E+01 volume -0.33730E+04 ppm1 1.166 ppm2 0.655 ASSI { 801} (( segid " " and resid 57 and name HG )) ( segid " " and resid 57 and name HD2%) 2.300 0.700 0.700 peak 801 weight 0.10000E+01 volume 0.43910E+04 ppm1 1.051 ppm2 1.682 ASSI { 802} (( segid " " and resid 57 and name HG )) (( segid " " and resid 57 and name HB1 )) 2.200 0.600 0.600 peak 802 weight 0.10000E+01 volume 0.49650E+04 ppm1 2.204 ppm2 1.681 ASSI { 804} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HB1 )) 2.000 0.500 0.500 peak 804 weight 0.10000E+01 volume 0.85100E+04 ppm1 3.375 ppm2 2.691 ASSI { 806} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HB% ) 2.100 0.600 0.600 peak 806 weight 0.10000E+01 volume 0.77030E+04 ppm1 1.649 ppm2 4.307 ASSI { 807} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB2 )) 5.500 3.800 0.000 peak 807 weight 0.10000E+01 volume -0.37260E+04 ppm1 2.308 ppm2 4.304 ASSI { 808} (( segid " " and resid 46 and name HA )) ( segid " " and resid 47 and name HB% ) 5.500 3.800 0.000 peak 808 weight 0.10000E+01 volume -0.14330E+04 ppm1 1.639 ppm2 4.350 ASSI { 811} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 43 and name HA )) 5.500 3.800 0.000 peak 811 weight 0.10000E+01 volume -0.14840E+04 ppm1 4.305 ppm2 1.645 ASSI { 817} (( segid " " and resid 27 and name HA )) ( segid " " and resid 57 and name HD2%) 5.500 3.800 0.000 peak 817 weight 0.10000E+01 volume -0.13650E+04 ppm1 1.060 ppm2 4.648 ASSI { 823} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 2.000 0.500 0.500 peak 823 weight 0.10000E+01 volume 0.91460E+04 ppm1 2.962 ppm2 2.653 ASSI { 827} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HG1 )) 5.500 3.800 0.000 peak 827 weight 0.10000E+01 volume -0.14600E+04 ppm1 2.478 ppm2 5.425 ASSI { 828} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG1 )) 2.700 0.900 0.900 peak 828 weight 0.10000E+01 volume 0.15420E+04 ppm1 2.548 ppm2 5.418 ASSI { 831} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 72 and name HB2 )) 5.500 3.800 0.000 peak 831 weight 0.10000E+01 volume -0.10010E+04 ppm1 2.271 ppm2 1.767 ASSI { 833} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 833 weight 0.10000E+01 volume 0.14390E+04 ppm1 2.834 ppm2 1.765 ASSI { 836} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 44 and name HG2%) 5.500 3.800 0.000 peak 836 weight 0.10000E+01 volume -0.14700E+04 ppm1 1.182 ppm2 1.748 ASSI { 838} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 70 and name HD1%) 3.000 1.100 1.100 peak 838 weight 0.10000E+01 volume 0.92100E+03 ppm1 0.637 ppm2 1.752 ASSI { 843} ( segid " " and resid 43 and name HB% ) (( segid " " and resid 42 and name HB )) 5.500 3.800 0.000 peak 843 weight 0.10000E+01 volume -0.60500E+04 ppm1 2.214 ppm2 1.658 ASSI { 852} ( segid " " and resid 43 and name HB% ) (( segid " " and resid 44 and name HA )) 5.500 3.800 0.000 peak 852 weight 0.10000E+01 volume -0.19480E+04 ppm1 4.515 ppm2 1.655 ASSI { 856} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 44 and name HG2%) 5.500 3.800 0.000 peak 856 weight 0.10000E+01 volume -0.10600E+05 ppm1 1.143 ppm2 1.640 ASSI { 857} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 95 and name HD1%) 5.500 3.800 0.000 peak 857 weight 0.10000E+01 volume -0.95440E+04 ppm1 1.039 ppm2 1.638 ASSI { 867} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HG1 )) 5.500 3.800 0.000 peak 867 weight 0.10000E+01 volume -0.49730E+04 ppm1 1.846 ppm2 4.551 ASSI { 875} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 875 weight 0.10000E+01 volume 0.13310E+04 ppm1 3.331 ppm2 4.849 ASSI { 876} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.800 1.000 1.000 peak 876 weight 0.10000E+01 volume 0.12180E+04 ppm1 3.030 ppm2 4.851 ASSI { 877} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.700 0.900 0.900 peak 877 weight 0.10000E+01 volume 0.15340E+04 ppm1 2.793 ppm2 4.844 ASSI { 879} (( segid " " and resid 55 and name HA )) (( segid " " and resid 27 and name HB2 )) 5.500 3.800 0.000 peak 879 weight 0.10000E+01 volume -0.15540E+04 ppm1 2.657 ppm2 4.786 ASSI { 880} (( segid " " and resid 55 and name HA )) (( segid " " and resid 97 and name HB1 )) 5.500 3.800 0.000 peak 880 weight 0.10000E+01 volume -0.25340E+04 ppm1 2.485 ppm2 4.786 ASSI { 893} (( segid " " and resid 62 and name HA )) ( segid " " and resid 91 and name HG2%) 3.000 1.100 1.100 peak 893 weight 0.10000E+01 volume 0.88100E+03 ppm1 1.035 ppm2 5.607 ASSI { 904} (( segid " " and resid 68 and name HA )) (( segid " " and resid 63 and name HB1 )) 5.500 3.800 0.000 peak 904 weight 0.10000E+01 volume -0.16880E+04 ppm1 3.212 ppm2 5.132 ASSI { 908} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 59 and name HB )) 5.500 3.800 0.000 peak 908 weight 0.10000E+01 volume -0.16620E+04 ppm1 2.337 ppm2 0.653 ASSI { 915} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HA2 )) 5.500 3.800 0.000 peak 915 weight 0.10000E+01 volume -0.85550E+04 ppm1 4.023 ppm2 4.707 ASSI { 925} (( segid " " and resid 78 and name HA1 )) (( segid " " and resid 77 and name HA )) 5.500 3.800 0.000 peak 925 weight 0.10000E+01 volume -0.21240E+04 ppm1 4.658 ppm2 4.275 ASSI { 926} (( segid " " and resid 78 and name HA1 )) (( segid " " and resid 78 and name HA2 )) 2.100 0.600 0.600 peak 926 weight 0.10000E+01 volume 0.78850E+04 ppm1 4.023 ppm2 4.277 ASSI { 931} ( segid " " and resid 79 and name HD% ) ( segid " " and resid 95 and name HD1%) 3.000 1.100 1.100 peak 931 weight 0.10000E+01 volume 0.86400E+03 ppm1 1.010 ppm2 7.375 ASSI { 932} ( segid " " and resid 79 and name HD% ) ( segid " " and resid 74 and name HB% ) 5.500 3.800 0.000 peak 932 weight 0.10000E+01 volume -0.13350E+04 ppm1 1.676 ppm2 7.373 ASSI { 943} (( segid " " and resid 90 and name HA )) ( segid " " and resid 91 and name HG2%) 2.700 0.900 0.900 peak 943 weight 0.10000E+01 volume 0.16500E+04 ppm1 1.015 ppm2 4.560 ASSI { 944} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HB )) 5.500 3.800 0.000 peak 944 weight 0.10000E+01 volume -0.10090E+04 ppm1 1.860 ppm2 4.563 ASSI { 945} (( segid " " and resid 90 and name HA )) (( segid " " and resid 62 and name HB2 )) 5.500 3.800 0.000 peak 945 weight 0.10000E+01 volume -0.85300E+03 ppm1 2.694 ppm2 4.572 ASSI { 948} (( segid " " and resid 83 and name HA )) ( segid " " and resid 84 and name HG2%) 2.900 1.100 1.100 peak 948 weight 0.10000E+01 volume 0.11130E+04 ppm1 1.237 ppm2 5.117 ASSI { 950} (( segid " " and resid 83 and name HA )) (( segid " " and resid 82 and name HB1 )) 5.500 3.800 0.000 peak 950 weight 0.10000E+01 volume -0.11030E+04 ppm1 2.580 ppm2 5.102 ASSI { 960} ( segid " " and resid 91 and name HD1%) (( segid " " and resid 86 and name HB1 )) 2.900 1.100 1.100 peak 960 weight 0.10000E+01 volume 0.11360E+04 ppm1 2.102 ppm2 0.476 ASSI { 964} (( segid " " and resid 92 and name HA )) ( segid " " and resid 60 and name HG2%) 2.600 0.800 0.800 peak 964 weight 0.10000E+01 volume 0.19200E+04 ppm1 1.198 ppm2 5.606 ASSI { 965} (( segid " " and resid 93 and name HA )) ( segid " " and resid 84 and name HG2%) 2.800 1.000 1.000 peak 965 weight 0.10000E+01 volume 0.12170E+04 ppm1 1.278 ppm2 5.246 ASSI { 973} (( segid " " and resid 94 and name HA )) ( segid " " and resid 56 and name HG2%) 5.500 3.800 0.000 peak 973 weight 0.10000E+01 volume -0.16760E+04 ppm1 0.995 ppm2 5.656 ASSI { 976} (( segid " " and resid 94 and name HA )) (( segid " " and resid 92 and name HG2 )) 5.500 3.800 0.000 peak 976 weight 0.10000E+01 volume -0.13530E+04 ppm1 1.876 ppm2 5.648 ASSI { 978} (( segid " " and resid 94 and name HG )) (( segid " " and resid 92 and name HG2 )) 5.500 3.800 0.000 peak 978 weight 0.10000E+01 volume -0.11940E+04 ppm1 1.858 ppm2 1.477 ASSI { 980} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG1%)) 2.800 1.000 1.000 peak 980 weight 0.10000E+01 volume 0.11710E+04 ppm1 1.221 ppm2 5.131 ASSI { 986} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 82 and name HN )) 5.500 3.800 0.000 peak 986 weight 0.10000E+01 volume -0.23460E+04 ppm1 4.451 ppm2 0.990 ASSI { 989} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HG1%)) 2.100 0.600 0.600 peak 989 weight 0.10000E+01 volume 0.83730E+04 ppm1 1.263 ppm2 1.019 OR { 989} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HG1%)) ASSI { 990} ( segid " " and resid 95 and name HD1%) ( segid " " and resid 80 and name HG2%) 5.500 3.800 0.000 peak 990 weight 0.10000E+01 volume -0.79190E+04 ppm1 1.465 ppm2 1.010 ASSI { 992} ( segid " " and resid 95 and name HD1%) ( segid " " and resid 74 and name HB% ) 5.500 3.800 0.000 peak 992 weight 0.10000E+01 volume -0.54950E+04 ppm1 1.681 ppm2 1.019 ASSI { 994} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 96 and name HB1 )) 5.500 3.800 0.000 peak 994 weight 0.10000E+01 volume -0.83390E+04 ppm1 1.974 ppm2 1.012 ASSI { 995} ( segid " " and resid 95 and name HD1%) (( segid " " and resid 95 and name HB )) 2.000 0.500 0.500 peak 995 weight 0.10000E+01 volume 0.93620E+04 ppm1 2.133 ppm2 1.014 ASSI { 997} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HB1 )) 5.500 3.800 0.000 peak 997 weight 0.10000E+01 volume -0.17890E+04 ppm1 2.021 ppm2 4.359 ASSI { 999} (( segid " " and resid 97 and name HA )) (( segid " " and resid 96 and name HA )) 5.500 3.800 0.000 peak 999 weight 0.10000E+01 volume -0.92700E+03 ppm1 5.505 ppm2 4.354 ASSI { 1000} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HD% ) 3.000 1.100 1.100 peak 1000 weight 0.10000E+01 volume 0.89100E+03 ppm1 7.241 ppm2 5.234 ASSI { 118} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB )) 2.800 1.000 1.000 peak 118 weight 0.10000E+01 volume 0.62100E+04 ppm1 9.999 ppm2 1.985 ASSI { 119} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG2%) 3.000 1.100 1.100 peak 119 weight 0.10000E+01 volume 0.35440E+04 ppm1 10.002 ppm2 1.136 ASSI { 120} (( segid " " and resid 56 and name HN )) ( segid " " and resid 95 and name HD1%) 2.900 1.100 1.100 peak 120 weight 0.10000E+01 volume 0.49080E+04 ppm1 9.999 ppm2 1.003 ASSI { 121} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 3.300 1.400 1.400 peak 121 weight 0.10000E+01 volume 0.20930E+04 ppm1 9.985 ppm2 5.554 ASSI { 122} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 122 weight 0.10000E+01 volume 0.53670E+04 ppm1 9.985 ppm2 2.443 ASSI { 123} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 123 weight 0.10000E+01 volume 0.12290E+05 ppm1 9.902 ppm2 5.169 ASSI { 124} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.800 1.000 1.000 peak 124 weight 0.10000E+01 volume 0.55590E+04 ppm1 9.899 ppm2 2.235 ASSI { 125} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HD2%) 2.600 2.600 2.900 peak 125 weight 0.10000E+01 volume 0.81690E+04 ppm1 9.903 ppm2 0.997 ASSI { 127} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 127 weight 0.10000E+01 volume 0.33980E+04 ppm1 9.840 ppm2 5.281 ASSI { 129} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.200 1.300 1.300 peak 129 weight 0.10000E+01 volume 0.27150E+04 ppm1 9.843 ppm2 2.933 ASSI { 135} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 135 weight 0.10000E+01 volume 0.55680E+04 ppm1 9.720 ppm2 5.029 ASSI { 136} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.700 0.900 0.900 peak 136 weight 0.10000E+01 volume 0.64750E+04 ppm1 9.729 ppm2 2.098 ASSI { 138} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.900 1.100 1.100 peak 138 weight 0.10000E+01 volume 0.41810E+04 ppm1 9.661 ppm2 5.396 ASSI { 139} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB )) 2.700 0.900 0.900 peak 139 weight 0.10000E+01 volume 0.66840E+04 ppm1 9.668 ppm2 2.337 ASSI { 141} (( segid " " and resid 59 and name HN )) ( segid " " and resid 94 and name HD2%) 2.800 1.000 1.000 peak 141 weight 0.10000E+01 volume 0.59850E+04 ppm1 9.668 ppm2 1.174 ASSI { 142} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA2 )) 2.500 0.800 0.800 peak 142 weight 0.10000E+01 volume 0.11260E+05 ppm1 9.719 ppm2 3.891 ASSI { 145} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 145 weight 0.10000E+01 volume 0.52060E+04 ppm1 9.558 ppm2 4.800 ASSI { 146} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 146 weight 0.10000E+01 volume 0.10200E+05 ppm1 9.555 ppm2 1.863 ASSI { 147} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.200 2.200 3.300 peak 147 weight 0.10000E+01 volume 0.26830E+05 ppm1 9.444 ppm2 5.029 ASSI { 149} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.400 0.700 0.700 peak 149 weight 0.10000E+01 volume 0.12980E+05 ppm1 9.409 ppm2 1.890 ASSI { 151} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 3.000 1.100 1.100 peak 151 weight 0.10000E+01 volume 0.40900E+04 ppm1 9.315 ppm2 4.788 ASSI { 152} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB )) 2.600 0.800 0.800 peak 152 weight 0.10000E+01 volume 0.81120E+04 ppm1 9.303 ppm2 1.924 ASSI { 153} (( segid " " and resid 91 and name HN )) ( segid " " and resid 91 and name HG2%) 2.800 1.000 1.000 peak 153 weight 0.10000E+01 volume 0.53430E+04 ppm1 9.307 ppm2 1.098 ASSI { 157} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.200 2.200 3.300 peak 157 weight 0.10000E+01 volume 0.20920E+05 ppm1 9.244 ppm2 5.007 ASSI { 158} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG2 )) 2.900 2.900 2.600 peak 158 weight 0.10000E+01 volume 0.45270E+04 ppm1 9.250 ppm2 2.503 ASSI { 159} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.800 1.000 1.000 peak 159 weight 0.10000E+01 volume 0.60170E+04 ppm1 9.244 ppm2 2.323 ASSI { 161} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 3.000 3.000 2.500 peak 161 weight 0.10000E+01 volume 0.39310E+04 ppm1 9.219 ppm2 4.764 ASSI { 162} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.900 1.100 1.100 peak 162 weight 0.10000E+01 volume 0.48400E+04 ppm1 9.219 ppm2 3.005 ASSI { 164} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.400 1.400 1.400 peak 164 weight 0.10000E+01 volume 0.18230E+04 ppm1 9.100 ppm2 5.789 ASSI { 166} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.900 1.100 1.100 peak 166 weight 0.10000E+01 volume 0.44870E+04 ppm1 9.033 ppm2 2.283 ASSI { 168} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 2.500 0.800 0.800 peak 168 weight 0.10000E+01 volume 0.11910E+05 ppm1 8.964 ppm2 1.910 ASSI { 171} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 171 weight 0.10000E+01 volume 0.54550E+04 ppm1 8.911 ppm2 5.022 ASSI { 172} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.200 1.300 1.300 peak 172 weight 0.10000E+01 volume 0.23940E+04 ppm1 9.010 ppm2 4.825 ASSI { 173} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB )) 2.700 0.900 0.900 peak 173 weight 0.10000E+01 volume 0.67810E+04 ppm1 9.005 ppm2 4.427 ASSI { 174} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG1 )) 3.100 1.200 1.200 peak 174 weight 0.10000E+01 volume 0.27870E+04 ppm1 9.005 ppm2 1.466 ASSI { 175} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 175 weight 0.10000E+01 volume 0.70780E+04 ppm1 8.849 ppm2 5.022 ASSI { 180} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 3.000 1.100 1.100 peak 180 weight 0.10000E+01 volume 0.37890E+04 ppm1 8.745 ppm2 4.400 ASSI { 181} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 181 weight 0.10000E+01 volume 0.57120E+04 ppm1 8.738 ppm2 2.459 ASSI { 182} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HG2 )) 3.200 1.300 1.300 peak 182 weight 0.10000E+01 volume 0.27670E+04 ppm1 8.747 ppm2 1.489 ASSI { 183} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 183 weight 0.10000E+01 volume 0.40730E+04 ppm1 8.292 ppm2 5.552 ASSI { 184} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.000 1.100 1.100 peak 184 weight 0.10000E+01 volume 0.35390E+04 ppm1 8.300 ppm2 3.545 ASSI { 187} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.600 0.800 0.800 peak 187 weight 0.10000E+01 volume 0.93960E+04 ppm1 8.222 ppm2 4.870 ASSI { 188} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB )) 2.300 2.300 3.200 peak 188 weight 0.10000E+01 volume 0.19450E+05 ppm1 8.222 ppm2 1.898 ASSI { 189} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG12)) 2.500 0.800 0.800 peak 189 weight 0.10000E+01 volume 0.10200E+05 ppm1 8.222 ppm2 1.307 ASSI { 191} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 191 weight 0.10000E+01 volume 0.24940E+04 ppm1 8.114 ppm2 4.294 ASSI { 193} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 193 weight 0.10000E+01 volume 0.11700E+05 ppm1 8.308 ppm2 4.691 ASSI { 194} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 194 weight 0.10000E+01 volume 0.18320E+05 ppm1 8.304 ppm2 2.338 ASSI { 195} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 195 weight 0.10000E+01 volume 0.63710E+04 ppm1 8.226 ppm2 4.400 ASSI { 196} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) 2.900 1.100 1.100 peak 196 weight 0.10000E+01 volume 0.41300E+04 ppm1 8.222 ppm2 2.748 ASSI { 197} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.100 1.200 1.200 peak 197 weight 0.10000E+01 volume 0.32690E+04 ppm1 8.219 ppm2 2.490 ASSI { 202} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 202 weight 0.10000E+01 volume 0.34740E+04 ppm1 7.799 ppm2 5.436 ASSI { 204} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 204 weight 0.10000E+01 volume 0.28430E+04 ppm1 7.862 ppm2 4.202 ASSI { 209} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.000 2.200 1.000 peak 209 weight 0.10000E+01 volume 0.22370E+05 ppm1 7.903 ppm2 1.641 ASSI { 210} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 210 weight 0.10000E+01 volume 0.62910E+04 ppm1 7.800 ppm2 4.533 ASSI { 212} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 212 weight 0.10000E+01 volume 0.86910E+04 ppm1 7.801 ppm2 1.959 ASSI { 213} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.700 0.900 0.900 peak 213 weight 0.10000E+01 volume 0.67250E+04 ppm1 7.487 ppm2 4.786 ASSI { 214} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.500 0.800 0.800 peak 214 weight 0.10000E+01 volume 0.10480E+05 ppm1 7.111 ppm2 4.436 ASSI { 215} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.300 0.700 0.700 peak 215 weight 0.10000E+01 volume 0.20210E+05 ppm1 7.117 ppm2 2.023 ASSI { 216} (( segid " " and resid 72 and name HN )) ( segid " " and resid 67 and name HG2%) 2.800 2.800 2.700 peak 216 weight 0.10000E+01 volume 0.55840E+04 ppm1 7.112 ppm2 1.282 ASSI { 217} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.900 1.100 1.100 peak 217 weight 0.10000E+01 volume 0.42260E+04 ppm1 8.763 ppm2 5.674 ASSI { 218} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 218 weight 0.10000E+01 volume 0.10800E+05 ppm1 8.708 ppm2 4.809 ASSI { 220} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.000 1.100 1.100 peak 220 weight 0.10000E+01 volume 0.34780E+04 ppm1 8.346 ppm2 3.293 ASSI { 221} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.100 3.100 2.400 peak 221 weight 0.10000E+01 volume 0.31730E+04 ppm1 8.346 ppm2 3.005 ASSI { 222} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.500 0.800 0.800 peak 222 weight 0.10000E+01 volume 0.11410E+05 ppm1 7.884 ppm2 5.136 ASSI { 223} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 223 weight 0.10000E+01 volume 0.54310E+04 ppm1 7.888 ppm2 3.029 ASSI { 225} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA2 )) 2.700 0.900 0.900 peak 225 weight 0.10000E+01 volume 0.67730E+04 ppm1 7.909 ppm2 4.304 ASSI { 226} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA1 )) 2.700 0.900 0.900 peak 226 weight 0.10000E+01 volume 0.71230E+04 ppm1 7.911 ppm2 4.053 ASSI { 230} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 230 weight 0.10000E+01 volume 0.53180E+04 ppm1 7.527 ppm2 4.668 ASSI { 231} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.900 1.100 1.100 peak 231 weight 0.10000E+01 volume 0.44190E+04 ppm1 7.742 ppm2 3.233 ASSI { 235} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.300 1.400 1.400 peak 235 weight 0.10000E+01 volume 0.19710E+04 ppm1 9.103 ppm2 2.096 ASSI { 237} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 237 weight 0.10000E+01 volume 0.14220E+05 ppm1 9.725 ppm2 5.786 ASSI { 242} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) 3.000 1.100 1.100 peak 242 weight 0.10000E+01 volume 0.39530E+04 ppm1 9.038 ppm2 2.586 ASSI { 244} (( segid " " and resid 60 and name HN )) (( segid " " and resid 30 and name HA )) 2.700 2.700 2.800 peak 244 weight 0.10000E+01 volume 0.77710E+04 ppm1 8.751 ppm2 5.022 ASSI { 249} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG2 )) 3.000 1.100 1.100 peak 249 weight 0.10000E+01 volume 0.33860E+04 ppm1 7.793 ppm2 2.551 ASSI { 251} (( segid " " and resid 43 and name HN )) ( segid " " and resid 70 and name HG2%) 3.400 1.400 1.400 peak 251 weight 0.10000E+01 volume 0.74420E+04 ppm1 8.915 ppm2 1.697 ASSI { 252} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.100 1.200 1.200 peak 252 weight 0.10000E+01 volume 0.30680E+04 ppm1 7.850 ppm2 1.652 ASSI { 253} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 3.400 1.400 1.400 peak 253 weight 0.10000E+01 volume 0.19170E+04 ppm1 7.856 ppm2 0.870 ASSI { 254} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.900 1.100 1.100 peak 254 weight 0.10000E+01 volume 0.47540E+04 ppm1 7.533 ppm2 2.067 ASSI { 256} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG2 )) 2.800 1.000 1.000 peak 256 weight 0.10000E+01 volume 0.59450E+04 ppm1 7.531 ppm2 2.880 ASSI { 265} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.800 1.000 1.000 peak 265 weight 0.10000E+01 volume 0.60420E+04 ppm1 8.983 ppm2 2.576 ASSI { 267} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB )) 2.400 0.700 0.700 peak 267 weight 0.10000E+01 volume 0.12690E+05 ppm1 7.488 ppm2 2.123 ASSI { 268} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HG2%) 2.500 2.500 3.000 peak 268 weight 0.10000E+01 volume 0.11790E+05 ppm1 7.482 ppm2 1.258 ASSI { 269} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 269 weight 0.10000E+01 volume 0.52700E+04 ppm1 7.743 ppm2 5.159 ASSI { 270} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB )) 2.900 1.100 1.100 peak 270 weight 0.10000E+01 volume 0.48680E+04 ppm1 8.841 ppm2 1.830 ASSI { 271} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HG2%) 2.800 2.800 2.700 peak 271 weight 0.10000E+01 volume 0.50930E+04 ppm1 8.841 ppm2 1.676 ASSI { 272} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD1%) 3.000 1.100 1.100 peak 272 weight 0.10000E+01 volume 0.35960E+04 ppm1 8.834 ppm2 0.631 ASSI { 273} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG12)) 3.200 1.300 1.300 peak 273 weight 0.10000E+01 volume 0.23090E+04 ppm1 8.851 ppm2 1.073 ASSI { 274} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG )) 2.500 2.500 3.000 peak 274 weight 0.10000E+01 volume 0.10400E+05 ppm1 7.114 ppm2 2.090 ASSI { 275} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.600 0.800 0.800 peak 275 weight 0.10000E+01 volume 0.80320E+04 ppm1 8.654 ppm2 4.885 ASSI { 276} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.400 0.700 0.700 peak 276 weight 0.10000E+01 volume 0.13080E+05 ppm1 8.656 ppm2 3.094 ASSI { 278} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HG )) 2.900 2.900 2.600 peak 278 weight 0.10000E+01 volume 0.46410E+04 ppm1 8.308 ppm2 2.107 ASSI { 279} (( segid " " and resid 75 and name HN )) (( segid " " and resid 82 and name HG )) 2.500 0.800 0.800 peak 279 weight 0.10000E+01 volume 0.11220E+05 ppm1 8.313 ppm2 1.732 ASSI { 280} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) 2.600 2.600 2.900 peak 280 weight 0.10000E+01 volume 0.80890E+04 ppm1 9.413 ppm2 1.284 ASSI { 282} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HG2%) 3.100 1.200 1.200 peak 282 weight 0.10000E+01 volume 0.30520E+04 ppm1 8.223 ppm2 1.162 ASSI { 283} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG2 )) 2.900 1.100 1.100 peak 283 weight 0.10000E+01 volume 0.49080E+04 ppm1 8.962 ppm2 1.835 ASSI { 284} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HD2 )) 3.200 1.300 1.300 peak 284 weight 0.10000E+01 volume 0.25140E+04 ppm1 8.963 ppm2 3.445 ASSI { 285} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.900 1.100 1.100 peak 285 weight 0.10000E+01 volume 0.49570E+04 ppm1 8.768 ppm2 2.138 ASSI { 286} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG )) 3.000 1.100 1.100 peak 286 weight 0.10000E+01 volume 0.37490E+04 ppm1 8.766 ppm2 2.005 ASSI { 287} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HD2%) 2.900 1.100 1.100 peak 287 weight 0.10000E+01 volume 0.48110E+04 ppm1 8.765 ppm2 1.151 ASSI { 288} (( segid " " and resid 94 and name HN )) ( segid " " and resid 82 and name HD1%) 3.100 3.100 2.400 peak 288 weight 0.10000E+01 volume 0.29120E+04 ppm1 8.765 ppm2 1.276 ASSI { 290} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG2 )) 3.000 1.100 1.100 peak 290 weight 0.10000E+01 volume 0.36640E+04 ppm1 9.985 ppm2 1.883 ASSI { 297} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 2.500 0.800 0.800 peak 297 weight 0.10000E+01 volume 0.12210E+05 ppm1 8.335 ppm2 9.219 ASSI { 298} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.300 1.400 1.400 peak 298 weight 0.10000E+01 volume 0.22240E+04 ppm1 9.116 ppm2 3.293 ASSI { 299} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.600 0.800 0.800 peak 299 weight 0.10000E+01 volume 0.86910E+04 ppm1 9.035 ppm2 8.747 ASSI { 300} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HA2 )) 2.800 2.800 2.700 peak 300 weight 0.10000E+01 volume 0.61620E+04 ppm1 8.753 ppm2 3.930 ASSI { 301} (( segid " " and resid 32 and name HN )) ( segid " " and resid 30 and name HD2%) 2.900 1.100 1.100 peak 301 weight 0.10000E+01 volume 0.45100E+04 ppm1 9.031 ppm2 1.187 ASSI { 305} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 3.200 1.300 1.300 peak 305 weight 0.10000E+01 volume 0.23770E+04 ppm1 10.418 ppm2 7.778 ASSI { 307} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA2 )) 3.100 1.200 1.200 peak 307 weight 0.10000E+01 volume 0.27910E+04 ppm1 7.789 ppm2 3.927 ASSI { 308} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA1 )) 3.100 1.200 1.200 peak 308 weight 0.10000E+01 volume 0.28470E+04 ppm1 7.795 ppm2 4.181 ASSI { 309} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB )) 3.300 3.300 2.200 peak 309 weight 0.10000E+01 volume 0.19340E+04 ppm1 8.114 ppm2 2.346 ASSI { 310} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 3.000 1.100 1.100 peak 310 weight 0.10000E+01 volume 0.38400E+04 ppm1 8.118 ppm2 8.270 ASSI { 313} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB )) 2.800 1.000 1.000 peak 313 weight 0.10000E+01 volume 0.53180E+04 ppm1 8.890 ppm2 2.352 ASSI { 314} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 314 weight 0.10000E+01 volume 0.31730E+04 ppm1 7.859 ppm2 8.218 ASSI { 315} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 315 weight 0.10000E+01 volume 0.91000E+04 ppm1 8.215 ppm2 7.889 ASSI { 316} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 3.200 1.300 1.300 peak 316 weight 0.10000E+01 volume 0.23150E+04 ppm1 8.233 ppm2 4.208 ASSI { 317} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 317 weight 0.10000E+01 volume 0.73730E+04 ppm1 7.901 ppm2 7.525 ASSI { 320} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 320 weight 0.10000E+01 volume 0.35050E+04 ppm1 7.529 ppm2 4.502 ASSI { 323} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 3.300 1.400 1.400 peak 323 weight 0.10000E+01 volume 0.22210E+04 ppm1 9.553 ppm2 7.781 ASSI { 326} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HN )) 3.300 1.400 1.400 peak 326 weight 0.10000E+01 volume 0.20130E+04 ppm1 8.214 ppm2 7.518 ASSI { 327} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 3.100 3.100 2.400 peak 327 weight 0.10000E+01 volume 0.33250E+04 ppm1 7.488 ppm2 7.740 ASSI { 329} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.100 1.200 1.200 peak 329 weight 0.10000E+01 volume 0.27790E+04 ppm1 7.750 ppm2 4.791 ASSI { 330} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HG2%) 2.700 0.900 0.900 peak 330 weight 0.10000E+01 volume 0.76920E+04 ppm1 7.747 ppm2 1.259 ASSI { 331} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB )) 3.200 1.300 1.300 peak 331 weight 0.10000E+01 volume 0.25220E+04 ppm1 7.745 ppm2 2.122 ASSI { 332} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.600 0.800 0.800 peak 332 weight 0.10000E+01 volume 0.80550E+04 ppm1 7.107 ppm2 8.651 ASSI { 334} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 334 weight 0.10000E+01 volume 0.49730E+04 ppm1 8.651 ppm2 4.436 ASSI { 335} (( segid " " and resid 73 and name HN )) ( segid " " and resid 82 and name HD1%) 3.000 3.000 2.500 peak 335 weight 0.10000E+01 volume 0.36980E+04 ppm1 8.658 ppm2 1.284 ASSI { 336} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.400 0.700 0.700 peak 336 weight 0.10000E+01 volume 0.13850E+05 ppm1 8.651 ppm2 2.022 ASSI { 337} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG )) 2.600 2.600 2.900 peak 337 weight 0.10000E+01 volume 0.96230E+04 ppm1 8.651 ppm2 2.094 ASSI { 339} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 339 weight 0.10000E+01 volume 0.10060E+05 ppm1 8.656 ppm2 8.865 ASSI { 340} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 340 weight 0.10000E+01 volume 0.53590E+04 ppm1 8.868 ppm2 3.092 ASSI { 342} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 2.700 0.900 0.900 peak 342 weight 0.10000E+01 volume 0.69900E+04 ppm1 8.869 ppm2 8.304 ASSI { 343} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.400 0.700 0.700 peak 343 weight 0.10000E+01 volume 0.14790E+05 ppm1 8.303 ppm2 8.865 ASSI { 344} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.400 0.800 peak 344 weight 0.10000E+01 volume 0.78730E+04 ppm1 8.304 ppm2 4.422 ASSI { 346} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.100 1.100 peak 346 weight 0.10000E+01 volume 0.45330E+04 ppm1 8.868 ppm2 4.690 ASSI { 349} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.700 0.900 0.900 peak 349 weight 0.10000E+01 volume 0.69410E+04 ppm1 8.869 ppm2 7.927 ASSI { 354} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 2.600 0.800 0.800 peak 354 weight 0.10000E+01 volume 0.82030E+04 ppm1 7.912 ppm2 8.294 ASSI { 356} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA1 )) 3.100 1.200 1.200 peak 356 weight 0.10000E+01 volume 0.32730E+04 ppm1 8.294 ppm2 4.059 ASSI { 357} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA2 )) 3.100 1.200 1.200 peak 357 weight 0.10000E+01 volume 0.31360E+04 ppm1 8.304 ppm2 4.305 ASSI { 359} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.900 1.100 1.100 peak 359 weight 0.10000E+01 volume 0.45330E+04 ppm1 8.998 ppm2 3.544 ASSI { 360} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.600 0.800 0.800 peak 360 weight 0.10000E+01 volume 0.85660E+04 ppm1 9.003 ppm2 5.551 ASSI { 362} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD2%) 2.600 2.600 2.900 peak 362 weight 0.10000E+01 volume 0.83730E+04 ppm1 7.881 ppm2 1.143 ASSI { 363} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD1%) 2.500 2.500 3.000 peak 363 weight 0.10000E+01 volume 0.12400E+05 ppm1 7.886 ppm2 1.282 ASSI { 365} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.500 2.500 3.000 peak 365 weight 0.10000E+01 volume 0.10090E+05 ppm1 7.886 ppm2 1.887 ASSI { 366} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 2.600 2.600 2.900 peak 366 weight 0.10000E+01 volume 0.91120E+04 ppm1 9.414 ppm2 7.879 ASSI { 369} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 1.900 1.900 3.600 peak 369 weight 0.10000E+01 volume 0.55850E+05 ppm1 8.217 ppm2 5.136 ASSI { 371} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 371 weight 0.10000E+01 volume 0.56480E+04 ppm1 8.219 ppm2 3.026 ASSI { 372} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 3.200 1.300 1.300 peak 372 weight 0.10000E+01 volume 0.24900E+04 ppm1 8.221 ppm2 9.249 ASSI { 374} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.100 0.600 0.600 peak 374 weight 0.10000E+01 volume 0.31400E+05 ppm1 9.244 ppm2 4.861 ASSI { 375} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG12)) 2.800 1.000 1.000 peak 375 weight 0.10000E+01 volume 0.58810E+04 ppm1 9.249 ppm2 1.301 ASSI { 377} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB )) 3.000 1.100 1.100 peak 377 weight 0.10000E+01 volume 0.39760E+04 ppm1 9.300 ppm2 4.385 ASSI { 378} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 2.400 0.700 0.700 peak 378 weight 0.10000E+01 volume 0.15750E+05 ppm1 9.304 ppm2 4.607 ASSI { 380} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 2.600 0.800 0.800 peak 380 weight 0.10000E+01 volume 0.97820E+04 ppm1 8.766 ppm2 5.266 ASSI { 382} (( segid " " and resid 96 and name HN )) (( segid " " and resid 56 and name HA )) 2.400 2.400 3.100 peak 382 weight 0.10000E+01 volume 0.12610E+05 ppm1 9.985 ppm2 5.176 ASSI { 383} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 2.600 0.800 0.800 peak 383 weight 0.10000E+01 volume 0.81570E+04 ppm1 8.739 ppm2 5.557 ASSI { 385} (( segid " " and resid 83 and name HN )) (( segid " " and resid 94 and name HN )) 2.800 1.000 1.000 peak 385 weight 0.10000E+01 volume 0.62590E+04 ppm1 7.882 ppm2 8.755 ASSI { 392} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA2 )) 3.000 1.100 1.100 peak 392 weight 0.10000E+01 volume 0.37040E+04 ppm1 8.713 ppm2 3.890 ASSI { 396} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 396 weight 0.10000E+01 volume 0.67160E+04 ppm1 9.720 ppm2 8.719 ASSI { 400} (( segid " " and resid 27 and name HN )) ( segid " " and resid 57 and name HD2%) 3.000 1.100 1.100 peak 400 weight 0.10000E+01 volume 0.37830E+04 ppm1 9.221 ppm2 0.993 ASSI { 401} (( segid " " and resid 27 and name HN )) ( segid " " and resid 56 and name HG2%) 3.100 1.200 1.200 peak 401 weight 0.10000E+01 volume 0.28550E+04 ppm1 9.225 ppm2 1.128 ASSI { 405} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 3.000 1.100 1.100 peak 405 weight 0.10000E+01 volume 0.34500E+04 ppm1 9.902 ppm2 5.264 ASSI { 418} (( segid " " and resid 28 and name HN )) (( segid " " and resid 57 and name HB2 )) 4.000 2.200 1.000 peak 418 weight 0.10000E+01 volume 0.43740E+04 ppm1 8.343 ppm2 2.243 ASSI { 419} (( segid " " and resid 28 and name HN )) (( segid " " and resid 58 and name HG2 )) 3.100 3.100 2.400 peak 419 weight 0.10000E+01 volume 0.32690E+04 ppm1 8.343 ppm2 2.452 ASSI { 430} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 430 weight 0.10000E+01 volume 0.32850E+04 ppm1 7.855 ppm2 4.527 ASSI { 435} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.800 1.000 1.000 peak 435 weight 0.10000E+01 volume 0.55510E+04 ppm1 8.215 ppm2 1.654 ASSI { 442} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HB )) 3.200 3.200 2.300 peak 442 weight 0.10000E+01 volume 0.24650E+04 ppm1 7.897 ppm2 3.752 ASSI { 444} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.600 2.600 2.900 peak 444 weight 0.10000E+01 volume 0.84530E+04 ppm1 7.533 ppm2 1.648 ASSI { 451} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 451 weight 0.10000E+01 volume 0.64430E+04 ppm1 9.725 ppm2 1.831 ASSI { 453} (( segid " " and resid 54 and name HN )) (( segid " " and resid 97 and name HB2 )) 4.000 2.200 1.000 peak 453 weight 0.10000E+01 volume 0.38800E+04 ppm1 9.718 ppm2 2.487 ASSI { 454} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 454 weight 0.10000E+01 volume 0.73050E+04 ppm1 9.553 ppm2 1.924 ASSI { 460} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.300 0.700 0.700 peak 460 weight 0.10000E+01 volume 0.16560E+05 ppm1 9.034 ppm2 5.117 ASSI { 461} (( segid " " and resid 60 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 461 weight 0.10000E+01 volume 0.55760E+04 ppm1 8.744 ppm2 5.126 ASSI { 465} (( segid " " and resid 55 and name HN )) (( segid " " and resid 97 and name HG2 )) 3.300 1.400 1.400 peak 465 weight 0.10000E+01 volume 0.22210E+04 ppm1 8.708 ppm2 1.511 ASSI { 470} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) 3.300 1.400 1.400 peak 470 weight 0.10000E+01 volume 0.22350E+04 ppm1 9.999 ppm2 2.520 ASSI { 475} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HG )) 3.200 3.200 2.300 peak 475 weight 0.10000E+01 volume 0.24900E+04 ppm1 9.667 ppm2 1.743 ASSI { 476} (( segid " " and resid 59 and name HN )) (( segid " " and resid 92 and name HG2 )) 3.300 3.300 2.200 peak 476 weight 0.10000E+01 volume 0.22550E+04 ppm1 9.664 ppm2 1.833 ASSI { 477} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.000 1.100 1.100 peak 477 weight 0.10000E+01 volume 0.35960E+04 ppm1 9.664 ppm2 2.081 ASSI { 496} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 496 weight 0.10000E+01 volume 0.69490E+04 ppm1 8.989 ppm2 4.873 ASSI { 497} (( segid " " and resid 62 and name HN )) (( segid " " and resid 33 and name HA )) 2.400 0.700 0.700 peak 497 weight 0.10000E+01 volume 0.14950E+05 ppm1 8.981 ppm2 5.123 ASSI { 498} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.900 2.900 2.600 peak 498 weight 0.10000E+01 volume 0.46180E+04 ppm1 8.993 ppm2 8.399 ASSI { 505} (( segid " " and resid 70 and name HN )) (( segid " " and resid 34 and name HA1 )) 3.000 3.000 2.500 peak 505 weight 0.10000E+01 volume 0.38970E+04 ppm1 8.847 ppm2 4.138 ASSI { 507} (( segid " " and resid 70 and name HN )) (( segid " " and resid 34 and name HA2 )) 2.900 2.900 2.600 peak 507 weight 0.10000E+01 volume 0.42490E+04 ppm1 8.845 ppm2 3.947 ASSI { 521} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HN )) 3.400 1.400 1.400 peak 521 weight 0.10000E+01 volume 0.18880E+04 ppm1 7.107 ppm2 8.890 ASSI { 524} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.300 1.400 1.400 peak 524 weight 0.10000E+01 volume 0.21640E+04 ppm1 8.655 ppm2 2.346 ASSI { 528} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HG2%) 3.100 1.200 1.200 peak 528 weight 0.10000E+01 volume 0.28870E+04 ppm1 8.873 ppm2 1.297 ASSI { 531} (( segid " " and resid 75 and name HN )) ( segid " " and resid 82 and name HD1%) 3.000 3.000 2.500 peak 531 weight 0.10000E+01 volume 0.39360E+04 ppm1 8.302 ppm2 1.297 ASSI { 533} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 533 weight 0.10000E+01 volume 0.23660E+04 ppm1 8.293 ppm2 4.849 ASSI { 535} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HN )) 3.300 3.300 2.200 peak 535 weight 0.10000E+01 volume 0.21900E+04 ppm1 8.305 ppm2 7.084 ASSI { 537} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HG )) 3.300 1.400 1.400 peak 537 weight 0.10000E+01 volume 0.21070E+04 ppm1 8.881 ppm2 2.087 ASSI { 547} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 547 weight 0.10000E+01 volume 0.45840E+04 ppm1 7.913 ppm2 4.681 ASSI { 549} (( segid " " and resid 79 and name HN )) (( segid " " and resid 82 and name HG )) 4.000 2.200 1.000 peak 549 weight 0.10000E+01 volume 0.24590E+04 ppm1 8.304 ppm2 1.725 ASSI { 550} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 550 weight 0.10000E+01 volume 0.53750E+04 ppm1 8.304 ppm2 4.683 ASSI { 551} (( segid " " and resid 80 and name HN )) ( segid " " and resid 95 and name HD1%) 3.200 3.200 2.300 peak 551 weight 0.10000E+01 volume 0.24680E+04 ppm1 9.008 ppm2 1.038 ASSI { 552} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD2%) 3.200 1.300 1.300 peak 552 weight 0.10000E+01 volume 0.24680E+04 ppm1 9.440 ppm2 1.151 ASSI { 554} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG1 )) 3.300 1.400 1.400 peak 554 weight 0.10000E+01 volume 0.21470E+04 ppm1 9.430 ppm2 1.447 ASSI { 556} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) 2.800 2.800 2.700 peak 556 weight 0.10000E+01 volume 0.51900E+04 ppm1 9.405 ppm2 4.589 ASSI { 557} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.000 1.100 1.100 peak 557 weight 0.10000E+01 volume 0.33860E+04 ppm1 9.446 ppm2 4.841 ASSI { 562} (( segid " " and resid 82 and name HN )) (( segid " " and resid 95 and name HB )) 3.300 1.400 1.400 peak 562 weight 0.10000E+01 volume 0.22690E+04 ppm1 9.412 ppm2 2.136 ASSI { 564} (( segid " " and resid 83 and name HN )) ( segid " " and resid 95 and name HG2%) 2.900 2.900 2.600 peak 564 weight 0.10000E+01 volume 0.49730E+04 ppm1 7.889 ppm2 1.479 ASSI { 565} (( segid " " and resid 83 and name HN )) (( segid " " and resid 94 and name HG )) 3.100 1.200 1.200 peak 565 weight 0.10000E+01 volume 0.30280E+04 ppm1 7.887 ppm2 1.997 ASSI { 566} (( segid " " and resid 83 and name HN )) (( segid " " and resid 95 and name HB )) 2.800 2.800 2.700 peak 566 weight 0.10000E+01 volume 0.55270E+04 ppm1 7.889 ppm2 2.149 ASSI { 570} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.600 0.800 0.800 peak 570 weight 0.10000E+01 volume 0.82600E+04 ppm1 7.886 ppm2 4.588 ASSI { 571} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 3.300 1.400 1.400 peak 571 weight 0.10000E+01 volume 0.22290E+04 ppm1 7.886 ppm2 8.222 ASSI { 574} (( segid " " and resid 84 and name HN )) (( segid " " and resid 94 and name HG )) 3.100 3.100 2.400 peak 574 weight 0.10000E+01 volume 0.31770E+04 ppm1 8.225 ppm2 2.017 ASSI { 577} (( segid " " and resid 85 and name HN )) ( segid " " and resid 91 and name HD1%) 3.000 3.000 2.500 peak 577 weight 0.10000E+01 volume 0.36580E+04 ppm1 9.250 ppm2 0.498 ASSI { 580} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB )) 2.600 0.800 0.800 peak 580 weight 0.10000E+01 volume 0.81010E+04 ppm1 9.247 ppm2 1.904 ASSI { 583} (( segid " " and resid 85 and name HN )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 583 weight 0.10000E+01 volume 0.32010E+04 ppm1 9.243 ppm2 5.264 ASSI { 598} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 3.200 1.300 1.300 peak 598 weight 0.10000E+01 volume 0.23230E+04 ppm1 9.292 ppm2 8.945 ASSI { 599} (( segid " " and resid 91 and name HN )) (( segid " " and resid 60 and name HA )) 3.300 3.300 2.200 peak 599 weight 0.10000E+01 volume 0.22490E+04 ppm1 9.302 ppm2 5.517 ASSI { 602} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HG2%) 2.700 2.700 2.800 peak 602 weight 0.10000E+01 volume 0.64350E+04 ppm1 9.301 ppm2 1.389 ASSI { 604} (( segid " " and resid 92 and name HN )) ( segid " " and resid 91 and name HD1%) 2.600 2.600 2.900 peak 604 weight 0.10000E+01 volume 0.93620E+04 ppm1 8.963 ppm2 0.500 ASSI { 607} (( segid " " and resid 92 and name HN )) ( segid " " and resid 91 and name HG2%) 3.300 3.300 2.200 peak 607 weight 0.10000E+01 volume 0.21100E+04 ppm1 8.967 ppm2 1.078 ASSI { 612} (( segid " " and resid 92 and name HN )) (( segid " " and resid 85 and name HA )) 2.600 2.600 2.900 peak 612 weight 0.10000E+01 volume 0.86350E+04 ppm1 8.959 ppm2 5.015 ASSI { 614} (( segid " " and resid 92 and name HN )) (( segid " " and resid 60 and name HA )) 3.200 3.200 2.300 peak 614 weight 0.10000E+01 volume 0.26950E+04 ppm1 8.959 ppm2 5.520 ASSI { 618} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 4.000 2.200 1.000 peak 618 weight 0.10000E+01 volume 0.45500E+04 ppm1 9.837 ppm2 1.908 ASSI { 620} (( segid " " and resid 94 and name HN )) ( segid " " and resid 95 and name HG2%) 3.100 3.100 2.400 peak 620 weight 0.10000E+01 volume 0.33570E+04 ppm1 8.760 ppm2 1.501 ASSI { 621} (( segid " " and resid 94 and name HN )) (( segid " " and resid 84 and name HB )) 3.300 1.400 1.400 peak 621 weight 0.10000E+01 volume 0.20160E+04 ppm1 8.768 ppm2 1.873 ASSI { 622} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.100 1.200 1.200 peak 622 weight 0.10000E+01 volume 0.28750E+04 ppm1 8.760 ppm2 2.943 ASSI { 624} (( segid " " and resid 94 and name HN )) (( segid " " and resid 83 and name HA )) 3.000 3.000 2.500 peak 624 weight 0.10000E+01 volume 0.33820E+04 ppm1 8.762 ppm2 5.135 ASSI { 635} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HD1%) 2.700 0.900 0.900 peak 635 weight 0.10000E+01 volume 0.69900E+04 ppm1 9.986 ppm2 1.028 ASSI { 638} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 3.400 1.400 1.400 peak 638 weight 0.10000E+01 volume 0.18660E+04 ppm1 9.983 ppm2 1.455 ASSI { 640} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HA )) 3.300 1.400 1.400 peak 640 weight 0.10000E+01 volume 0.22780E+04 ppm1 9.985 ppm2 4.421 ASSI { 641} (( segid " " and resid 96 and name HN )) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 641 weight 0.10000E+01 volume 0.27830E+04 ppm1 9.985 ppm2 4.586 ASSI { 646} (( segid " " and resid 97 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.000 2.200 1.000 peak 646 weight 0.10000E+01 volume 0.16640E+04 ppm1 8.745 ppm2 2.221 ASSI { 649} (( segid " " and resid 83 and name HN )) (( segid " " and resid 94 and name HA )) 3.300 3.300 2.200 peak 649 weight 0.10000E+01 volume 0.20130E+04 ppm1 7.868 ppm2 5.687 ASSI { 650} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.000 1.100 1.100 peak 650 weight 0.10000E+01 volume 0.35730E+04 ppm1 8.891 ppm2 4.047 ASSI { 657} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 657 weight 0.10000E+01 volume 0.30960E+04 ppm1 9.438 ppm2 4.733 ASSI { 665} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.300 0.700 0.700 peak 665 weight 0.10000E+01 volume 0.18320E+05 ppm1 8.725 ppm2 5.397 ASSI { 666} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.700 2.700 2.800 peak 666 weight 0.10000E+01 volume 0.65080E+04 ppm1 8.740 ppm2 2.403 ASSI { 668} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 2.400 0.700 0.700 peak 668 weight 0.10000E+01 volume 0.14930E+05 ppm1 9.827 ppm2 5.631 ASSI { 669} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.200 1.300 1.300 peak 669 weight 0.10000E+01 volume 0.26020E+04 ppm1 8.401 ppm2 5.264 ASSI { 674} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 3.000 1.100 1.100 peak 674 weight 0.10000E+01 volume 0.40220E+04 ppm1 7.915 ppm2 8.888 ASSI { 676} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 676 weight 0.10000E+01 volume 0.54070E+04 ppm1 7.916 ppm2 4.525 ASSI { 677} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB )) 3.200 1.300 1.300 peak 677 weight 0.10000E+01 volume 0.24000E+04 ppm1 7.921 ppm2 3.762 ASSI { 679} (( segid " " and resid 44 and name HN )) ( segid " " and resid 70 and name HG2%) 2.800 1.000 1.000 peak 679 weight 0.10000E+01 volume 0.51420E+04 ppm1 7.921 ppm2 1.683 ASSI { 683} (( segid " " and resid 59 and name HN )) (( segid " " and resid 93 and name HN )) 2.800 1.000 1.000 peak 683 weight 0.10000E+01 volume 0.62180E+04 ppm1 9.671 ppm2 9.832 ASSI { 698} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HG2%) 3.000 1.100 1.100 peak 698 weight 0.10000E+01 volume 0.40050E+04 ppm1 9.903 ppm2 1.133 ASSI { 699} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HA )) 2.800 2.800 2.700 peak 699 weight 0.10000E+01 volume 0.51100E+04 ppm1 9.409 ppm2 5.156 ASSI { 700} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 700 weight 0.10000E+01 volume 0.74760E+04 ppm1 9.438 ppm2 5.019 ASSI { 707} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HG2 )) 3.000 1.100 1.100 peak 707 weight 0.10000E+01 volume 0.33690E+04 ppm1 9.430 ppm2 2.577 ASSI { 708} (( segid " " and resid 56 and name HA )) (( segid " " and resid 96 and name HA )) 2.700 0.900 0.900 peak 707 weight 0.10000E+01 volume 0.33690E+04 ppm1 9.430 ppm2 2.57
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