NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
8105 | 1lkn | 5357 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assi (((resi 1 and name HA)) and bondedto ((resi 1 and name CA))) ((resi 1 and name HB#)) 6.0 0.1 0.1 peak 8 ppm1 4.48 ppm2 2.02 volume 1.07e+09 { 8 } assi (((resi 1 and name HA)) and bondedto ((resi 1 and name CA))) ((resi 1 and name HG1)) 6.0 0.1 0.1 peak 9 ppm1 4.48 ppm2 2.31 volume 3.27e+08 { 9 } assi (((resi 1 and name HA)) and bondedto ((resi 1 and name CA))) ((resi 1 and name HG2)) 6.0 0.1 0.1 peak 10 ppm1 4.48 ppm2 2.55 volume 1.03e+07 { 10 } assi (((resi 1 and name HA)) and bondedto ((resi 1 and name CA))) ((resi 2 and name HN)) 6.0 0.1 0.1 peak 11 ppm1 4.48 ppm2 7.97 volume 2.56e+07 { 11 } assi (((resi 1 and name HB#)) and bondedto ((resi 1 and name CB))) ((resi 1 and name HA)) 6.0 0.1 0.1 peak 12 ppm1 2.00 ppm2 4.46 volume 1.71e+08 { 12 } assi (((resi 1 and name HB#)) and bondedto ((resi 1 and name CB))) ((resi 1 and name HG1)) 6.0 0.1 0.1 peak 13 ppm1 2.01 ppm2 2.31 volume 1.36e+09 { 13 } assi (((resi 1 and name HB#)) and bondedto ((resi 1 and name CB))) ((resi 1 and name HG2)) 6.0 0.1 0.1 peak 14 ppm1 2.01 ppm2 2.55 volume 1.08e+09 { 14 } assi (((resi 1 and name HG1)) and bondedto ((resi 1 and name CG))) ((resi 1 and name HA)) 6.0 0.1 0.1 peak 15 ppm1 2.30 ppm2 4.49 volume 4.64e+08 { 15 } assi (((resi 1 and name HG2)) and bondedto ((resi 1 and name CG))) ((resi 1 and name HA)) 6.0 0.1 0.1 peak 16 ppm1 2.55 ppm2 4.50 volume 2.84e+08 { 16 } assi (((resi 1 and name HG1)) and bondedto ((resi 1 and name CG))) ((resi 1 and name HB#)) 6.0 0.1 0.1 peak 17 ppm1 2.31 ppm2 2.01 volume 1.27e+09 { 17 } assi (((resi 1 and name HG2)) and bondedto ((resi 1 and name CG))) ((resi 1 and name HB#)) 6.0 0.1 0.1 peak 18 ppm1 2.55 ppm2 2.00 volume 1.13e+09 { 18 } assi (((resi 1 and name HG2)) and bondedto ((resi 1 and name CG))) ((resi 1 and name HG1)) 6.0 0.1 0.1 peak 19 ppm1 2.56 ppm2 2.32 volume 1.80e+09 { 19 } assi (((resi 1 and name HG1)) and bondedto ((resi 1 and name CG))) ((resi 1 and name HG2)) 6.0 0.1 0.1 peak 20 ppm1 2.31 ppm2 2.55 volume 2.59e+09 { 20 } assi (((resi 2 and name HA)) and bondedto ((resi 2 and name CA))) ((resi 2 and name HN)) 6.0 0.1 0.1 peak 21 ppm1 4.40 ppm2 8.00 volume 7.00e+06 { 21 } assi (((resi 2 and name HA)) and bondedto ((resi 2 and name CA))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 22 ppm1 4.40 ppm2 0.48 volume 1.45e+07 { 22 } assi (((resi 2 and name HA)) and bondedto ((resi 2 and name CA))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 23 ppm1 4.40 ppm2 6.95 volume 8.07e+07 { 23 } assi (((resi 2 and name HB1)) and bondedto ((resi 2 and name CB))) ((resi 2 and name HA)) 6.0 0.1 0.1 peak 24 ppm1 2.00 ppm2 4.43 volume 4.74e+08 { 24 } assi (((resi 2 and name HB2)) and bondedto ((resi 2 and name CB))) ((resi 2 and name HA)) 6.0 0.1 0.1 peak 25 ppm1 1.85 ppm2 4.41 volume 5.41e+08 { 25 } assi (((resi 2 and name HB1)) and bondedto ((resi 2 and name CB))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 26 ppm1 1.99 ppm2 6.95 volume 7.98e+06 { 26 } assi (((resi 2 and name HB2)) and bondedto ((resi 2 and name CB))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 27 ppm1 1.84 ppm2 6.95 volume 6.90e+06 { 27 } assi (((resi 2 and name HG1)) and bondedto ((resi 2 and name CG))) ((resi 2 and name HA)) 6.0 0.1 0.1 peak 28 ppm1 2.26 ppm2 4.42 volume 1.71e+08 { 28 } assi (((resi 2 and name HG2)) and bondedto ((resi 2 and name CG))) ((resi 2 and name HA)) 6.0 0.1 0.1 peak 29 ppm1 2.17 ppm2 4.41 volume 1.55e+08 { 29 } assi (((resi 2 and name HG1)) and bondedto ((resi 2 and name CG))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 30 ppm1 2.23 ppm2 6.95 volume 4.57e+07 { 30 } assi (((resi 2 and name HG2)) and bondedto ((resi 2 and name CG))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 31 ppm1 2.16 ppm2 6.96 volume 5.38e+07 { 31 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 3 and name HB)) 6.0 0.1 0.1 peak 32 ppm1 3.68 ppm2 0.41 volume 1.52e+07 { 32 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 33 ppm1 3.69 ppm2 0.52 volume 2.69e+07 { 33 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 34 ppm1 3.69 ppm2 -0.18 volume 3.50e+07 { 34 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 35 ppm1 3.68 ppm2 6.95 volume 1.24e+07 { 35 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 4 and name HA)) 6.0 0.1 0.1 peak 36 ppm1 3.68 ppm2 4.48 volume 1.22e+07 { 36 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 4 and name HD#)) 6.0 0.1 0.1 peak 37 ppm1 3.67 ppm2 1.60 volume 6.48e+07 { 37 } assi (((resi 3 and name HA)) and bondedto ((resi 3 and name CA))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 38 ppm1 3.69 ppm2 7.69 volume 5.17e+07 { 38 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 2 and name HA)) 6.0 0.1 0.1 peak 39 ppm1 0.41 ppm2 4.41 volume 5.78e+06 { 39 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 3 and name HA)) 6.0 0.1 0.1 peak 40 ppm1 0.42 ppm2 3.70 volume 5.36e+06 { 40 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 41 ppm1 0.42 ppm2 -0.18 volume 3.13e+07 { 41 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 42 ppm1 0.42 ppm2 6.95 volume 2.33e+07 { 42 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 56 and name HB1)) 6.0 0.1 0.1 peak 43 ppm1 0.42 ppm2 1.93 volume 4.20e+06 { 43 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 56 and name HB2)) 6.0 0.1 0.1 peak 44 ppm1 0.42 ppm2 1.58 volume 4.23e+06 { 44 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 45 ppm1 0.42 ppm2 0.82 volume 6.11e+07 { 45 } assi (((resi 3 and name HB)) and bondedto ((resi 3 and name CB))) ((resi 68 and name HE#)) 6.0 0.1 0.1 peak 46 ppm1 0.41 ppm2 6.81 volume 7.13e+06 { 46 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 2 and name HA)) 6.0 0.1 0.1 peak 47 ppm1 0.49 ppm2 4.43 volume 1.46e+07 { 47 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 3 and name HA)) 6.0 0.1 0.1 peak 48 ppm1 0.50 ppm2 3.69 volume 4.69e+07 { 48 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 49 ppm1 0.50 ppm2 -0.19 volume 1.86e+09 { 49 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 50 ppm1 0.50 ppm2 6.95 volume 7.40e+07 { 50 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 51 ppm1 0.50 ppm2 7.68 volume 1.21e+07 { 51 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 56 and name HB2)) 6.0 0.1 0.1 peak 52 ppm1 0.50 ppm2 1.57 volume 3.21e+07 { 52 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 58 and name HE#)) 6.0 0.1 0.1 peak 53 ppm1 0.50 ppm2 6.81 volume 2.72e+07 { 53 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 67 and name HG2#)) 6.0 0.1 0.1 peak 54 ppm1 0.50 ppm2 1.16 volume 2.83e+08 { 54 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 68 and name HA)) 6.0 0.1 0.1 peak 55 ppm1 0.50 ppm2 4.52 volume 1.51e+07 { 55 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 56 ppm1 0.50 ppm2 6.71 volume 2.43e+07 { 56 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 57 ppm1 0.51 ppm2 3.50 volume 1.16e+07 { 57 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 69 and name HG1)) 6.0 0.1 0.1 peak 58 ppm1 0.50 ppm2 1.88 volume 1.07e+07 { 58 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 69 and name HG2)) 6.0 0.1 0.1 peak 59 ppm1 0.50 ppm2 2.11 volume 6.74e+06 { 59 } assi (((resi 3 and name HG1#)) and bondedto ((resi 3 and name CG1))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 60 ppm1 0.50 ppm2 0.99 volume 9.30e+08 { 60 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 3 and name HA)) 6.0 0.1 0.1 peak 61 ppm1 -0.18 ppm2 3.69 volume 3.56e+07 { 61 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 62 ppm1 -0.18 ppm2 0.48 volume 2.61e+09 { 62 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 63 ppm1 -0.18 ppm2 6.95 volume 3.24e+07 { 63 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 4 and name HG2)) 6.0 0.1 0.1 peak 64 ppm1 -0.18 ppm2 1.31 volume 3.97e+08 { 64 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 65 ppm1 -0.18 ppm2 7.68 volume 2.39e+07 { 65 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 52 and name HG2#)) 6.0 0.1 0.1 peak 66 ppm1 -0.18 ppm2 1.59 volume 2.94e+08 { 66 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 66 and name HB)) 6.0 0.1 0.1 peak 67 ppm1 -0.18 ppm2 2.04 volume 6.70e+06 { 67 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 68 ppm1 -0.18 ppm2 0.81 volume 9.92e+08 { 68 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 69 ppm1 -0.18 ppm2 8.93 volume 1.83e+07 { 69 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 68 and name HA)) 6.0 0.1 0.1 peak 70 ppm1 -0.18 ppm2 4.52 volume 9.84e+06 { 70 } assi (((resi 3 and name HG2#)) and bondedto ((resi 3 and name CG2))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 71 ppm1 -0.18 ppm2 6.71 volume 9.31e+06 { 71 } assi (((resi 4 and name HA)) and bondedto ((resi 4 and name CA))) ((resi 4 and name HD#)) 6.0 0.1 0.1 peak 72 ppm1 4.46 ppm2 1.60 volume 1.77e+08 { 72 } assi (((resi 4 and name HA)) and bondedto ((resi 4 and name CA))) ((resi 4 and name HG2)) 6.0 0.1 0.1 peak 73 ppm1 4.46 ppm2 1.33 volume 7.67e+07 { 73 } assi (((resi 4 and name HA)) and bondedto ((resi 4 and name CA))) ((resi 5 and name HD1#)) 6.0 0.1 0.1 peak 74 ppm1 4.45 ppm2 0.81 volume 1.68e+07 { 74 } assi (((resi 4 and name HA)) and bondedto ((resi 4 and name CA))) ((resi 5 and name HN)) 6.0 0.1 0.1 peak 75 ppm1 4.45 ppm2 8.40 volume 1.69e+08 { 75 } assi (((resi 4 and name HB1)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HA)) 6.0 0.1 0.1 peak 76 ppm1 1.61 ppm2 4.46 volume 1.79e+07 { 76 } assi (((resi 4 and name HB2)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HA)) 6.0 0.1 0.1 peak 77 ppm1 1.75 ppm2 4.46 volume 1.84e+07 { 77 } assi (((resi 4 and name HB2)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HB1)) 6.0 0.1 0.1 peak 78 ppm1 1.74 ppm2 1.62 volume 1.07e+09 { 78 } assi (((resi 4 and name HB1)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HB2)) 6.0 0.1 0.1 peak 79 ppm1 1.61 ppm2 1.73 volume 7.47e+08 { 79 } assi (((resi 4 and name HB2)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HE#)) 6.0 0.1 0.1 peak 80 ppm1 1.75 ppm2 2.91 volume 7.04e+06 { 80 } assi (((resi 4 and name HB2)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HG2)) 6.0 0.1 0.1 peak 81 ppm1 1.74 ppm2 1.33 volume 8.44e+08 { 81 } assi (((resi 4 and name HB1)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 82 ppm1 1.60 ppm2 7.68 volume 1.10e+07 { 82 } assi (((resi 4 and name HB2)) and bondedto ((resi 4 and name CB))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 83 ppm1 1.75 ppm2 7.69 volume 1.06e+07 { 83 } assi (((resi 4 and name HB1)) and bondedto ((resi 4 and name CB))) ((resi 5 and name HG11)) 6.0 0.1 0.1 peak 84 ppm1 1.61 ppm2 1.34 volume 1.42e+09 { 84 } assi (((resi 4 and name HB1)) and bondedto ((resi 4 and name CB))) ((resi 67 and name HB)) 6.0 0.1 0.1 peak 85 ppm1 1.61 ppm2 3.84 volume 1.11e+07 { 85 } assi (((resi 4 and name HB2)) and bondedto ((resi 4 and name CB))) ((resi 67 and name HB)) 6.0 0.1 0.1 peak 86 ppm1 1.75 ppm2 3.84 volume 1.50e+07 { 86 } assi (((resi 4 and name HD#)) and bondedto ((resi 4 and name CD))) ((resi 4 and name HA)) 6.0 0.1 0.1 peak 87 ppm1 1.60 ppm2 4.46 volume 1.11e+07 { 87 } assi (((resi 4 and name HD#)) and bondedto ((resi 4 and name CD))) ((resi 4 and name HE#)) 6.0 0.1 0.1 peak 88 ppm1 1.60 ppm2 2.88 volume 3.91e+07 { 88 } assi (((resi 4 and name HD#)) and bondedto ((resi 4 and name CD))) ((resi 5 and name HD1#)) 6.0 0.1 0.1 peak 89 ppm1 1.62 ppm2 0.82 volume 2.28e+08 { 89 } assi (((resi 4 and name HG1)) and bondedto ((resi 4 and name CG))) ((resi 4 and name HE#)) 6.0 0.1 0.1 peak 90 ppm1 1.39 ppm2 2.88 volume 1.04e+07 { 90 } assi (((resi 4 and name HG2)) and bondedto ((resi 4 and name CG))) ((resi 4 and name HE#)) 6.0 0.1 0.1 peak 91 ppm1 1.30 ppm2 2.88 volume 9.07e+06 { 91 } assi (((resi 4 and name HG1)) and bondedto ((resi 4 and name CG))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 92 ppm1 1.40 ppm2 7.66 volume 2.08e+07 { 92 } assi (((resi 4 and name HG2)) and bondedto ((resi 4 and name CG))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 93 ppm1 1.28 ppm2 7.66 volume 6.21e+06 { 93 } assi (((resi 4 and name HG1)) and bondedto ((resi 4 and name CG))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 94 ppm1 1.40 ppm2 0.76 volume 3.62e+08 { 94 } assi (((resi 4 and name HG2)) and bondedto ((resi 4 and name CG))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 95 ppm1 1.29 ppm2 0.76 volume 2.25e+08 { 95 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 5 and name HB)) 6.0 0.1 0.1 peak 96 ppm1 4.55 ppm2 1.59 volume 4.45e+08 { 96 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 5 and name HD1#)) 6.0 0.1 0.1 peak 97 ppm1 4.55 ppm2 0.81 volume 1.24e+09 { 97 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 5 and name HG11)) 6.0 0.1 0.1 peak 98 ppm1 4.55 ppm2 1.32 volume 2.44e+08 { 98 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 5 and name HG12)) 6.0 0.1 0.1 peak 99 ppm1 4.55 ppm2 0.67 volume 5.95e+08 { 99 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 5 and name HN)) 6.0 0.1 0.1 peak 100 ppm1 4.55 ppm2 8.39 volume 5.61e+07 { 100 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 6 and name HA)) 6.0 0.1 0.1 peak 101 ppm1 4.55 ppm2 4.78 volume 1.48e+08 { 101 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 102 ppm1 4.55 ppm2 9.17 volume 4.54e+07 { 102 } assi (((resi 5 and name HA)) and bondedto ((resi 5 and name CA))) ((resi 66 and name HA)) 6.0 0.1 0.1 peak 103 ppm1 4.55 ppm2 5.05 volume 3.54e+08 { 103 } assi (((resi 5 and name HB)) and bondedto ((resi 5 and name CB))) ((resi 5 and name HN)) 6.0 0.1 0.1 peak 104 ppm1 1.61 ppm2 8.40 volume 1.44e+07 { 104 } assi (((resi 5 and name HB)) and bondedto ((resi 5 and name CB))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 105 ppm1 1.61 ppm2 9.17 volume 2.84e+07 { 105 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 3 and name HB)) 6.0 0.1 0.1 peak 106 ppm1 0.81 ppm2 0.42 volume 2.85e+07 { 106 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 107 ppm1 0.82 ppm2 -0.18 volume 7.42e+06 { 107 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 108 ppm1 0.81 ppm2 -0.19 volume 3.68e+07 { 108 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 5 and name HB)) 6.0 0.1 0.1 peak 109 ppm1 0.82 ppm2 1.60 volume 6.82e+07 { 109 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 5 and name HG11)) 6.0 0.1 0.1 peak 110 ppm1 0.81 ppm2 1.30 volume 8.64e+07 { 110 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 5 and name HN)) 6.0 0.1 0.1 peak 111 ppm1 0.81 ppm2 8.40 volume 8.96e+06 { 111 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 112 ppm1 0.81 ppm2 9.17 volume 3.43e+06 { 112 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 58 and name HB1)) 6.0 0.1 0.1 peak 113 ppm1 0.82 ppm2 2.75 volume 3.28e+07 { 113 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 58 and name HB2)) 6.0 0.1 0.1 peak 114 ppm1 0.81 ppm2 2.50 volume 1.80e+07 { 114 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 115 ppm1 0.81 ppm2 6.96 volume 4.65e+07 { 115 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 58 and name HE#)) 6.0 0.1 0.1 peak 116 ppm1 0.82 ppm2 6.81 volume 1.14e+07 { 116 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 59 and name HN)) 6.0 0.1 0.1 peak 117 ppm1 0.81 ppm2 8.54 volume 6.56e+06 { 117 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 60 and name HA)) 6.0 0.1 0.1 peak 118 ppm1 0.81 ppm2 4.62 volume 1.75e+07 { 118 } assi (((resi 5 and name HD1#)) and bondedto ((resi 5 and name CD1))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 119 ppm1 0.81 ppm2 -0.01 volume 1.94e+07 { 119 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 120 ppm1 1.32 ppm2 -0.19 volume 1.04e+08 { 120 } assi (((resi 5 and name HG12)) and bondedto ((resi 5 and name CG1))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 121 ppm1 0.67 ppm2 -0.18 volume 7.37e+07 { 121 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HA)) 6.0 0.1 0.1 peak 122 ppm1 1.31 ppm2 4.55 volume 1.05e+08 { 122 } assi (((resi 5 and name HG12)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HA)) 6.0 0.1 0.1 peak 123 ppm1 0.67 ppm2 4.55 volume 7.68e+07 { 123 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HB)) 6.0 0.1 0.1 peak 124 ppm1 1.31 ppm2 1.61 volume 2.16e+08 { 124 } assi (((resi 5 and name HG12)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HB)) 6.0 0.1 0.1 peak 125 ppm1 0.64 ppm2 1.62 volume 1.70e+08 { 125 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HD1#)) 6.0 0.1 0.1 peak 126 ppm1 1.31 ppm2 0.81 volume 5.23e+08 { 126 } assi (((resi 5 and name HG12)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HD1#)) 6.0 0.1 0.1 peak 127 ppm1 0.67 ppm2 0.81 volume 3.93e+08 { 127 } assi (((resi 5 and name HG12)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HG11)) 6.0 0.1 0.1 peak 128 ppm1 0.67 ppm2 1.31 volume 3.16e+08 { 128 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HG12)) 6.0 0.1 0.1 peak 129 ppm1 1.31 ppm2 0.67 volume 4.54e+08 { 129 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 5 and name HN)) 6.0 0.1 0.1 peak 130 ppm1 1.31 ppm2 8.40 volume 4.39e+07 { 130 } assi (((resi 5 and name HG11)) and bondedto ((resi 5 and name CG1))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 131 ppm1 1.31 ppm2 -0.01 volume 7.48e+07 { 131 } assi (((resi 5 and name HG12)) and bondedto ((resi 5 and name CG1))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 132 ppm1 0.68 ppm2 -0.01 volume 7.38e+07 { 132 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 5 and name HA)) 6.0 0.1 0.1 peak 133 ppm1 0.82 ppm2 4.56 volume 5.38e+07 { 133 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 5 and name HB)) 6.0 0.1 0.1 peak 134 ppm1 0.82 ppm2 1.60 volume 3.06e+09 { 134 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 5 and name HG11)) 6.0 0.1 0.1 peak 135 ppm1 0.82 ppm2 1.30 volume 7.39e+08 { 135 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 5 and name HN)) 6.0 0.1 0.1 peak 136 ppm1 0.82 ppm2 8.39 volume 1.04e+07 { 136 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 6 and name HA)) 6.0 0.1 0.1 peak 137 ppm1 0.82 ppm2 4.77 volume 1.33e+07 { 137 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 6 and name HG1)) 6.0 0.1 0.1 peak 138 ppm1 0.82 ppm2 2.05 volume 6.19e+08 { 138 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 139 ppm1 0.82 ppm2 9.17 volume 5.11e+07 { 139 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 7 and name HE2)) 6.0 0.1 0.1 peak 140 ppm1 0.82 ppm2 2.96 volume 6.42e+06 { 140 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 64 and name HB1)) 6.0 0.1 0.1 peak 141 ppm1 0.82 ppm2 2.29 volume 5.56e+08 { 141 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 64 and name HB2)) 6.0 0.1 0.1 peak 142 ppm1 0.82 ppm2 2.78 volume 2.32e+07 { 142 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 66 and name HA)) 6.0 0.1 0.1 peak 143 ppm1 0.82 ppm2 5.08 volume 2.19e+07 { 143 } assi (((resi 5 and name HG2#)) and bondedto ((resi 5 and name CG2))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 144 ppm1 0.82 ppm2 -0.02 volume 1.30e+07 { 144 } assi (((resi 6 and name HB#)) and bondedto ((resi 6 and name CB))) ((resi 6 and name HA)) 6.0 0.1 0.1 peak 145 ppm1 2.05 ppm2 4.80 volume 8.92e+08 { 145 } assi (((resi 6 and name HB#)) and bondedto ((resi 6 and name CB))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 146 ppm1 2.06 ppm2 9.17 volume 1.54e+07 { 146 } assi (((resi 6 and name HB#)) and bondedto ((resi 6 and name CB))) ((resi 7 and name HN)) 6.0 0.1 0.1 peak 147 ppm1 2.06 ppm2 8.62 volume 7.35e+06 { 147 } assi (((resi 6 and name HB#)) and bondedto ((resi 6 and name CB))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 148 ppm1 2.06 ppm2 4.50 volume 3.53e+07 { 148 } assi (((resi 6 and name HG1)) and bondedto ((resi 6 and name CG))) ((resi 6 and name HA)) 6.0 0.1 0.1 peak 149 ppm1 2.05 ppm2 4.79 volume 9.38e+07 { 149 } assi (((resi 6 and name HG1)) and bondedto ((resi 6 and name CG))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 150 ppm1 2.04 ppm2 9.17 volume 6.94e+07 { 150 } assi (((resi 6 and name HG2)) and bondedto ((resi 6 and name CG))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 151 ppm1 2.17 ppm2 9.17 volume 5.52e+07 { 151 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 6 and name HB#)) 6.0 0.1 0.1 peak 152 ppm1 5.36 ppm2 2.05 volume 1.76e+07 { 152 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 153 ppm1 5.35 ppm2 9.16 volume 8.79e+06 { 153 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 7 and name HB#)) 6.0 0.1 0.1 peak 154 ppm1 5.36 ppm2 1.87 volume 4.72e+07 { 154 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 7 and name HG1)) 6.0 0.1 0.1 peak 155 ppm1 5.35 ppm2 1.46 volume 6.34e+07 { 155 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 7 and name HG2)) 6.0 0.1 0.1 peak 156 ppm1 5.35 ppm2 1.58 volume 1.55e+07 { 156 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 7 and name HN)) 6.0 0.1 0.1 peak 157 ppm1 5.36 ppm2 8.62 volume 5.40e+06 { 157 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 158 ppm1 5.35 ppm2 3.95 volume 3.05e+07 { 158 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 159 ppm1 5.35 ppm2 4.50 volume 1.11e+09 { 159 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 64 and name HA)) 6.0 0.1 0.1 peak 160 ppm1 5.36 ppm2 5.09 volume 1.03e+07 { 160 } assi (((resi 7 and name HA)) and bondedto ((resi 7 and name CA))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 161 ppm1 5.36 ppm2 1.15 volume 3.32e+07 { 161 } assi (((resi 7 and name HB#)) and bondedto ((resi 7 and name CB))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 162 ppm1 1.88 ppm2 5.35 volume 2.57e+07 { 162 } assi (((resi 7 and name HB#)) and bondedto ((resi 7 and name CB))) ((resi 7 and name HG1)) 6.0 0.1 0.1 peak 163 ppm1 1.88 ppm2 1.46 volume 1.48e+09 { 163 } assi (((resi 7 and name HB#)) and bondedto ((resi 7 and name CB))) ((resi 7 and name HG2)) 6.0 0.1 0.1 peak 164 ppm1 1.88 ppm2 1.60 volume 4.64e+08 { 164 } assi (((resi 7 and name HB#)) and bondedto ((resi 7 and name CB))) ((resi 7 and name HN)) 6.0 0.1 0.1 peak 165 ppm1 1.88 ppm2 8.59 volume 1.07e+07 { 165 } assi (((resi 7 and name HB#)) and bondedto ((resi 7 and name CB))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 166 ppm1 1.88 ppm2 3.96 volume 8.47e+08 { 166 } assi (((resi 7 and name HD1)) and bondedto ((resi 7 and name CD))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 167 ppm1 1.72 ppm2 5.33 volume 6.17e+07 { 167 } assi (((resi 7 and name HD2)) and bondedto ((resi 7 and name CD))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 168 ppm1 1.86 ppm2 5.33 volume 1.22e+08 { 168 } assi (((resi 7 and name HG1)) and bondedto ((resi 7 and name CG))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 169 ppm1 1.47 ppm2 5.36 volume 8.48e+06 { 169 } assi (((resi 7 and name HG2)) and bondedto ((resi 7 and name CG))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 170 ppm1 1.57 ppm2 5.36 volume 8.10e+06 { 170 } assi (((resi 7 and name HG1)) and bondedto ((resi 7 and name CG))) ((resi 7 and name HB#)) 6.0 0.1 0.1 peak 171 ppm1 1.47 ppm2 1.86 volume 5.81e+08 { 171 } assi (((resi 7 and name HG2)) and bondedto ((resi 7 and name CG))) ((resi 7 and name HB#)) 6.0 0.1 0.1 peak 172 ppm1 1.57 ppm2 1.85 volume 5.68e+08 { 172 } assi (((resi 7 and name HG1)) and bondedto ((resi 7 and name CG))) ((resi 7 and name HE2)) 6.0 0.1 0.1 peak 173 ppm1 1.47 ppm2 2.97 volume 1.12e+07 { 173 } assi (((resi 7 and name HG2)) and bondedto ((resi 7 and name CG))) ((resi 7 and name HE2)) 6.0 0.1 0.1 peak 174 ppm1 1.57 ppm2 2.99 volume 8.43e+06 { 174 } assi (((resi 8 and name HB1)) and bondedto ((resi 8 and name CB))) ((resi 8 and name HA)) 6.0 0.1 0.1 peak 175 ppm1 2.04 ppm2 4.79 volume 1.51e+08 { 175 } assi (((resi 8 and name HB2)) and bondedto ((resi 8 and name CB))) ((resi 8 and name HA)) 6.0 0.1 0.1 peak 176 ppm1 1.95 ppm2 4.79 volume 2.18e+08 { 176 } assi (((resi 8 and name HB1)) and bondedto ((resi 8 and name CB))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 177 ppm1 2.05 ppm2 7.82 volume 5.87e+06 { 177 } assi (((resi 8 and name HB2)) and bondedto ((resi 8 and name CB))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 178 ppm1 1.95 ppm2 7.82 volume 7.95e+06 { 178 } assi (((resi 8 and name HB1)) and bondedto ((resi 8 and name CB))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 179 ppm1 2.05 ppm2 0.44 volume 1.07e+07 { 179 } assi (((resi 8 and name HB2)) and bondedto ((resi 8 and name CB))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 180 ppm1 1.96 ppm2 0.44 volume 5.17e+07 { 180 } assi (((resi 8 and name HB1)) and bondedto ((resi 8 and name CB))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 181 ppm1 2.05 ppm2 0.06 volume 3.66e+07 { 181 } assi (((resi 8 and name HB2)) and bondedto ((resi 8 and name CB))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 182 ppm1 1.96 ppm2 0.06 volume 3.68e+07 { 182 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 183 ppm1 3.94 ppm2 9.16 volume 1.22e+07 { 183 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 184 ppm1 3.94 ppm2 5.36 volume 2.98e+07 { 184 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 185 ppm1 4.50 ppm2 5.36 volume 4.61e+07 { 185 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 186 ppm1 4.50 ppm2 3.95 volume 1.34e+09 { 186 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 187 ppm1 3.94 ppm2 4.50 volume 4.91e+07 { 187 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 8 and name HG1)) 6.0 0.1 0.1 peak 188 ppm1 3.95 ppm2 2.05 volume 3.13e+07 { 188 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 8 and name HG1)) 6.0 0.1 0.1 peak 189 ppm1 4.49 ppm2 2.06 volume 1.23e+09 { 189 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 8 and name HG2)) 6.0 0.1 0.1 peak 190 ppm1 3.94 ppm2 1.97 volume 2.79e+07 { 190 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 8 and name HG2)) 6.0 0.1 0.1 peak 191 ppm1 4.50 ppm2 1.95 volume 9.61e+08 { 191 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 64 and name HA)) 6.0 0.1 0.1 peak 192 ppm1 3.95 ppm2 5.08 volume 5.01e+06 { 192 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 64 and name HA)) 6.0 0.1 0.1 peak 193 ppm1 4.50 ppm2 5.09 volume 5.75e+06 { 193 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 194 ppm1 3.95 ppm2 1.15 volume 8.26e+06 { 194 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 195 ppm1 4.49 ppm2 1.15 volume 7.27e+06 { 195 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 196 ppm1 3.94 ppm2 0.77 volume 7.88e+06 { 196 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 197 ppm1 4.50 ppm2 0.78 volume 9.19e+06 { 197 } assi (((resi 8 and name HD1)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HG)) 6.0 0.1 0.1 peak 198 ppm1 3.94 ppm2 1.52 volume 5.14e+06 { 198 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HG)) 6.0 0.1 0.1 peak 199 ppm1 4.49 ppm2 1.51 volume 6.75e+06 { 199 } assi (((resi 8 and name HD2)) and bondedto ((resi 8 and name CD))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 200 ppm1 4.49 ppm2 9.16 volume 8.67e+06 { 200 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 201 ppm1 2.07 ppm2 5.35 volume 2.88e+06 { 201 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 202 ppm1 1.94 ppm2 5.35 volume 5.05e+06 { 202 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 8 and name HA)) 6.0 0.1 0.1 peak 203 ppm1 2.06 ppm2 4.80 volume 8.79e+06 { 203 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 8 and name HA)) 6.0 0.1 0.1 peak 204 ppm1 1.95 ppm2 4.80 volume 6.37e+06 { 204 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 205 ppm1 1.94 ppm2 3.94 volume 1.02e+07 { 205 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 206 ppm1 2.06 ppm2 4.50 volume 1.25e+07 { 206 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 207 ppm1 1.94 ppm2 4.50 volume 1.29e+07 { 207 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 208 ppm1 2.06 ppm2 0.43 volume 6.84e+06 { 208 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 209 ppm1 1.95 ppm2 0.43 volume 6.08e+06 { 209 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 210 ppm1 2.06 ppm2 0.06 volume 1.22e+07 { 210 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 211 ppm1 1.94 ppm2 0.06 volume 1.25e+07 { 211 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 212 ppm1 2.06 ppm2 1.39 volume 3.27e+08 { 212 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 213 ppm1 1.94 ppm2 1.39 volume 2.10e+08 { 213 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 214 ppm1 2.06 ppm2 6.76 volume 4.47e+06 { 214 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 215 ppm1 1.94 ppm2 6.78 volume 6.41e+06 { 215 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 216 ppm1 2.05 ppm2 1.12 volume 2.67e+08 { 216 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 217 ppm1 1.93 ppm2 1.15 volume 2.24e+08 { 217 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 218 ppm1 2.05 ppm2 0.76 volume 5.97e+07 { 218 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 219 ppm1 1.94 ppm2 0.77 volume 2.36e+08 { 219 } assi (((resi 8 and name HG1)) and bondedto ((resi 8 and name CG))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 220 ppm1 2.06 ppm2 0.93 volume 6.69e+08 { 220 } assi (((resi 8 and name HG2)) and bondedto ((resi 8 and name CG))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 221 ppm1 1.94 ppm2 0.94 volume 2.00e+08 { 221 } assi (((resi 9 and name HG2#)) and bondedto ((resi 9 and name CG2))) ((resi 9 and name HA)) 6.0 0.1 0.1 peak 222 ppm1 1.46 ppm2 4.71 volume 1.27e+08 { 222 } assi (((resi 9 and name HG2#)) and bondedto ((resi 9 and name CG2))) ((resi 9 and name HB)) 6.0 0.1 0.1 peak 223 ppm1 1.45 ppm2 4.82 volume 8.86e+07 { 223 } assi (((resi 9 and name HG2#)) and bondedto ((resi 9 and name CG2))) ((resi 10 and name HB1)) 6.0 0.1 0.1 peak 224 ppm1 1.46 ppm2 1.92 volume 5.03e+08 { 224 } assi (((resi 9 and name HG2#)) and bondedto ((resi 9 and name CG2))) ((resi 10 and name HG2)) 6.0 0.1 0.1 peak 225 ppm1 1.46 ppm2 2.03 volume 4.79e+08 { 225 } assi (((resi 9 and name HG2#)) and bondedto ((resi 9 and name CG2))) ((resi 11 and name HA)) 6.0 0.1 0.1 peak 226 ppm1 1.46 ppm2 3.92 volume 6.13e+07 { 226 } assi (((resi 9 and name HG2#)) and bondedto ((resi 9 and name CG2))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 227 ppm1 1.46 ppm2 7.83 volume 7.08e+07 { 227 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 10 and name HB1)) 6.0 0.1 0.1 peak 228 ppm1 4.12 ppm2 1.90 volume 4.02e+07 { 228 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 10 and name HB2)) 6.0 0.1 0.1 peak 229 ppm1 4.12 ppm2 2.37 volume 6.06e+07 { 229 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 10 and name HG1)) 6.0 0.1 0.1 peak 230 ppm1 4.12 ppm2 2.26 volume 1.92e+07 { 230 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 10 and name HG2)) 6.0 0.1 0.1 peak 231 ppm1 4.12 ppm2 2.04 volume 2.76e+07 { 231 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 232 ppm1 4.12 ppm2 7.81 volume 9.27e+06 { 232 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 13 and name HB1)) 6.0 0.1 0.1 peak 233 ppm1 4.12 ppm2 1.70 volume 2.93e+07 { 233 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 13 and name HB2)) 6.0 0.1 0.1 peak 234 ppm1 4.12 ppm2 1.05 volume 1.09e+07 { 234 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 235 ppm1 4.12 ppm2 0.44 volume 3.63e+07 { 235 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 236 ppm1 4.12 ppm2 0.06 volume 4.85e+06 { 236 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 237 ppm1 4.12 ppm2 1.41 volume 1.36e+07 { 237 } assi (((resi 10 and name HA)) and bondedto ((resi 10 and name CA))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 238 ppm1 4.12 ppm2 7.65 volume 1.69e+07 { 238 } assi (((resi 10 and name HB1)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 239 ppm1 1.90 ppm2 4.12 volume 3.54e+08 { 239 } assi (((resi 10 and name HB2)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 240 ppm1 2.38 ppm2 4.12 volume 4.49e+07 { 240 } assi (((resi 10 and name HB2)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HB1)) 6.0 0.1 0.1 peak 241 ppm1 2.38 ppm2 1.89 volume 2.41e+09 { 241 } assi (((resi 10 and name HB1)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HB2)) 6.0 0.1 0.1 peak 242 ppm1 1.90 ppm2 2.37 volume 6.61e+08 { 242 } assi (((resi 10 and name HB2)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HD#)) 6.0 0.1 0.1 peak 243 ppm1 2.38 ppm2 3.93 volume 2.19e+07 { 243 } assi (((resi 10 and name HB2)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HG1)) 6.0 0.1 0.1 peak 244 ppm1 2.38 ppm2 2.25 volume 1.11e+09 { 244 } assi (((resi 10 and name HB2)) and bondedto ((resi 10 and name CB))) ((resi 10 and name HG2)) 6.0 0.1 0.1 peak 245 ppm1 2.38 ppm2 2.05 volume 1.23e+09 { 245 } assi (((resi 10 and name HB1)) and bondedto ((resi 10 and name CB))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 246 ppm1 1.90 ppm2 0.45 volume 2.17e+07 { 246 } assi (((resi 10 and name HB2)) and bondedto ((resi 10 and name CB))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 247 ppm1 2.37 ppm2 0.43 volume 2.38e+07 { 247 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 9 and name HA)) 6.0 0.1 0.1 peak 248 ppm1 3.92 ppm2 4.68 volume 9.22e+07 { 248 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 9 and name HB)) 6.0 0.1 0.1 peak 249 ppm1 3.93 ppm2 4.82 volume 5.19e+07 { 249 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 9 and name HG2#)) 6.0 0.1 0.1 peak 250 ppm1 3.92 ppm2 1.45 volume 3.45e+07 { 250 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 251 ppm1 3.93 ppm2 4.11 volume 7.51e+08 { 251 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 10 and name HB1)) 6.0 0.1 0.1 peak 252 ppm1 3.92 ppm2 1.90 volume 2.66e+07 { 252 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 10 and name HB2)) 6.0 0.1 0.1 peak 253 ppm1 3.93 ppm2 2.36 volume 1.72e+07 { 253 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 10 and name HG1)) 6.0 0.1 0.1 peak 254 ppm1 3.93 ppm2 2.24 volume 4.91e+07 { 254 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 10 and name HG2)) 6.0 0.1 0.1 peak 255 ppm1 3.92 ppm2 2.05 volume 4.64e+07 { 255 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 11 and name HN)) 6.0 0.1 0.1 peak 256 ppm1 3.94 ppm2 8.64 volume 4.34e+06 { 256 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 257 ppm1 3.93 ppm2 7.83 volume 6.45e+06 { 257 } assi (((resi 10 and name HD#)) and bondedto ((resi 10 and name CD))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 258 ppm1 3.93 ppm2 7.66 volume 1.73e+07 { 258 } assi (((resi 10 and name HG2)) and bondedto ((resi 10 and name CG))) ((resi 9 and name HA)) 6.0 0.1 0.1 peak 259 ppm1 2.06 ppm2 4.67 volume 1.07e+07 { 259 } assi (((resi 10 and name HG1)) and bondedto ((resi 10 and name CG))) ((resi 9 and name HB)) 6.0 0.1 0.1 peak 260 ppm1 2.23 ppm2 4.81 volume 7.14e+06 { 260 } assi (((resi 10 and name HG2)) and bondedto ((resi 10 and name CG))) ((resi 9 and name HB)) 6.0 0.1 0.1 peak 261 ppm1 2.06 ppm2 4.81 volume 9.48e+06 { 261 } assi (((resi 10 and name HG1)) and bondedto ((resi 10 and name CG))) ((resi 10 and name HD#)) 6.0 0.1 0.1 peak 262 ppm1 2.24 ppm2 3.93 volume 5.09e+07 { 262 } assi (((resi 10 and name HG2)) and bondedto ((resi 10 and name CG))) ((resi 10 and name HD#)) 6.0 0.1 0.1 peak 263 ppm1 2.05 ppm2 3.92 volume 4.28e+07 { 263 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 11 and name HB1)) 6.0 0.1 0.1 peak 264 ppm1 3.92 ppm2 1.91 volume 8.04e+07 { 264 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 11 and name HB2)) 6.0 0.1 0.1 peak 265 ppm1 3.92 ppm2 2.06 volume 4.08e+07 { 265 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 11 and name HG1)) 6.0 0.1 0.1 peak 266 ppm1 3.92 ppm2 2.45 volume 1.91e+07 { 266 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 11 and name HG2)) 6.0 0.1 0.1 peak 267 ppm1 3.92 ppm2 2.24 volume 4.62e+07 { 267 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 11 and name HN)) 6.0 0.1 0.1 peak 268 ppm1 3.92 ppm2 8.62 volume 4.44e+06 { 268 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 269 ppm1 3.92 ppm2 7.81 volume 1.02e+07 { 269 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 14 and name HD#)) 6.0 0.1 0.1 peak 270 ppm1 3.93 ppm2 1.67 volume 1.25e+07 { 270 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 14 and name HG2)) 6.0 0.1 0.1 peak 271 ppm1 3.92 ppm2 1.43 volume 9.86e+06 { 271 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 14 and name HN)) 6.0 0.1 0.1 peak 272 ppm1 3.92 ppm2 7.63 volume 1.66e+07 { 272 } assi (((resi 11 and name HA)) and bondedto ((resi 11 and name CA))) ((resi 15 and name HN)) 6.0 0.1 0.1 peak 273 ppm1 3.92 ppm2 8.02 volume 6.52e+06 { 273 } assi (((resi 11 and name HB1)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HA)) 6.0 0.1 0.1 peak 274 ppm1 1.93 ppm2 3.92 volume 3.03e+07 { 274 } assi (((resi 11 and name HB2)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HA)) 6.0 0.1 0.1 peak 275 ppm1 2.06 ppm2 3.93 volume 2.32e+08 { 275 } assi (((resi 11 and name HB2)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HB1)) 6.0 0.1 0.1 peak 276 ppm1 2.07 ppm2 1.93 volume 7.56e+08 { 276 } assi (((resi 11 and name HB1)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HB2)) 6.0 0.1 0.1 peak 277 ppm1 1.93 ppm2 2.06 volume 7.99e+08 { 277 } assi (((resi 11 and name HB1)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HG1)) 6.0 0.1 0.1 peak 278 ppm1 1.94 ppm2 2.45 volume 9.45e+08 { 278 } assi (((resi 11 and name HB2)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HG1)) 6.0 0.1 0.1 peak 279 ppm1 2.07 ppm2 2.44 volume 9.59e+08 { 279 } assi (((resi 11 and name HB1)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HG2)) 6.0 0.1 0.1 peak 280 ppm1 1.93 ppm2 2.25 volume 1.26e+09 { 280 } assi (((resi 11 and name HB2)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HG2)) 6.0 0.1 0.1 peak 281 ppm1 2.06 ppm2 2.25 volume 1.34e+09 { 281 } assi (((resi 11 and name HB1)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HN)) 6.0 0.1 0.1 peak 282 ppm1 1.92 ppm2 8.62 volume 4.57e+07 { 282 } assi (((resi 11 and name HB2)) and bondedto ((resi 11 and name CB))) ((resi 11 and name HN)) 6.0 0.1 0.1 peak 283 ppm1 2.05 ppm2 8.63 volume 2.27e+07 { 283 } assi (((resi 11 and name HB1)) and bondedto ((resi 11 and name CB))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 284 ppm1 1.94 ppm2 7.81 volume 9.00e+06 { 284 } assi (((resi 11 and name HB2)) and bondedto ((resi 11 and name CB))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 285 ppm1 2.07 ppm2 7.81 volume 7.57e+06 { 285 } assi (((resi 11 and name HG1)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HA)) 6.0 0.1 0.1 peak 286 ppm1 2.45 ppm2 3.92 volume 2.43e+07 { 286 } assi (((resi 11 and name HG2)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HA)) 6.0 0.1 0.1 peak 287 ppm1 2.25 ppm2 3.92 volume 6.44e+08 { 287 } assi (((resi 11 and name HG1)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HB1)) 6.0 0.1 0.1 peak 288 ppm1 2.45 ppm2 1.93 volume 1.22e+09 { 288 } assi (((resi 11 and name HG2)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HB1)) 6.0 0.1 0.1 peak 289 ppm1 2.25 ppm2 1.95 volume 5.08e+08 { 289 } assi (((resi 11 and name HG1)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HB2)) 6.0 0.1 0.1 peak 290 ppm1 2.45 ppm2 2.06 volume 1.24e+09 { 290 } assi (((resi 11 and name HG2)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HB2)) 6.0 0.1 0.1 peak 291 ppm1 2.26 ppm2 2.07 volume 3.73e+08 { 291 } assi (((resi 11 and name HG2)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HG1)) 6.0 0.1 0.1 peak 292 ppm1 2.25 ppm2 2.45 volume 4.19e+09 { 292 } assi (((resi 11 and name HG1)) and bondedto ((resi 11 and name CG))) ((resi 11 and name HG2)) 6.0 0.1 0.1 peak 293 ppm1 2.45 ppm2 2.25 volume 4.06e+09 { 293 } assi (((resi 11 and name HG1)) and bondedto ((resi 11 and name CG))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 294 ppm1 2.44 ppm2 7.81 volume 5.64e+06 { 294 } assi (((resi 11 and name HG2)) and bondedto ((resi 11 and name CG))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 295 ppm1 2.26 ppm2 7.81 volume 3.94e+06 { 295 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 12 and name HB2)) 6.0 0.1 0.1 peak 296 ppm1 4.11 ppm2 1.91 volume 1.51e+09 { 296 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 12 and name HD2)) 6.0 0.1 0.1 peak 297 ppm1 4.11 ppm2 1.69 volume 8.70e+08 { 297 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 12 and name HE2)) 6.0 0.1 0.1 peak 298 ppm1 4.11 ppm2 2.84 volume 2.42e+07 { 298 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 12 and name HG1)) 6.0 0.1 0.1 peak 299 ppm1 4.11 ppm2 1.30 volume 7.28e+08 { 299 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 12 and name HG2)) 6.0 0.1 0.1 peak 300 ppm1 4.11 ppm2 1.40 volume 5.04e+08 { 300 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 301 ppm1 4.11 ppm2 7.81 volume 2.48e+07 { 301 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 302 ppm1 4.11 ppm2 7.65 volume 1.21e+07 { 302 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 15 and name HB#)) 6.0 0.1 0.1 peak 303 ppm1 4.11 ppm2 2.16 volume 1.12e+09 { 303 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 15 and name HG1)) 6.0 0.1 0.1 peak 304 ppm1 4.11 ppm2 2.37 volume 5.42e+07 { 304 } assi (((resi 12 and name HA)) and bondedto ((resi 12 and name CA))) ((resi 15 and name HN)) 6.0 0.1 0.1 peak 305 ppm1 4.12 ppm2 8.03 volume 1.46e+07 { 305 } assi (((resi 12 and name HB1)) and bondedto ((resi 12 and name CB))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 306 ppm1 1.97 ppm2 7.83 volume 1.35e+08 { 306 } assi (((resi 12 and name HB2)) and bondedto ((resi 12 and name CB))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 307 ppm1 1.89 ppm2 7.82 volume 2.10e+08 { 307 } assi (((resi 12 and name HD2)) and bondedto ((resi 12 and name CD))) ((resi 12 and name HA)) 6.0 0.1 0.1 peak 308 ppm1 1.73 ppm2 4.11 volume 1.52e+08 { 308 } assi (((resi 12 and name HD2)) and bondedto ((resi 12 and name CD))) ((resi 12 and name HA)) 6.0 0.1 0.1 peak 309 ppm1 1.65 ppm2 4.13 volume 6.57e+07 { 309 } assi (((resi 12 and name HD2)) and bondedto ((resi 12 and name CD))) ((resi 12 and name HE2)) 6.0 0.1 0.1 peak 310 ppm1 1.73 ppm2 2.85 volume 1.84e+07 { 310 } assi (((resi 12 and name HD2)) and bondedto ((resi 12 and name CD))) ((resi 12 and name HE2)) 6.0 0.1 0.1 peak 311 ppm1 1.67 ppm2 2.85 volume 1.83e+07 { 311 } assi (((resi 12 and name HD1)) and bondedto ((resi 12 and name CD))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 312 ppm1 1.74 ppm2 7.82 volume 5.19e+07 { 312 } assi (((resi 12 and name HD2)) and bondedto ((resi 12 and name CD))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 313 ppm1 1.65 ppm2 7.82 volume 6.02e+07 { 313 } assi (((resi 12 and name HG1)) and bondedto ((resi 12 and name CG))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 314 ppm1 1.29 ppm2 7.81 volume 2.77e+07 { 314 } assi (((resi 12 and name HG2)) and bondedto ((resi 12 and name CG))) ((resi 12 and name HN)) 6.0 0.1 0.1 peak 315 ppm1 1.39 ppm2 7.81 volume 1.04e+07 { 315 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 316 ppm1 3.61 ppm2 4.12 volume 4.66e+07 { 316 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 13 and name HB1)) 6.0 0.1 0.1 peak 317 ppm1 3.60 ppm2 1.71 volume 2.53e+07 { 317 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 13 and name HB2)) 6.0 0.1 0.1 peak 318 ppm1 3.60 ppm2 1.05 volume 2.67e+07 { 318 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 319 ppm1 3.61 ppm2 0.44 volume 9.18e+06 { 319 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 320 ppm1 3.60 ppm2 0.06 volume 5.28e+07 { 320 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 321 ppm1 3.60 ppm2 1.42 volume 2.05e+07 { 321 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 322 ppm1 3.61 ppm2 7.65 volume 2.57e+07 { 322 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 14 and name HB#)) 6.0 0.1 0.1 peak 323 ppm1 3.57 ppm2 1.87 volume 1.95e+07 { 323 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 16 and name HD2#)) 6.0 0.1 0.1 peak 324 ppm1 3.60 ppm2 0.74 volume 1.41e+07 { 324 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 325 ppm1 3.60 ppm2 7.78 volume 9.78e+06 { 325 } assi (((resi 13 and name HA)) and bondedto ((resi 13 and name CA))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 326 ppm1 3.60 ppm2 -0.05 volume 1.90e+07 { 326 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 327 ppm1 1.70 ppm2 4.12 volume 8.81e+06 { 327 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 328 ppm1 1.06 ppm2 4.13 volume 7.90e+06 { 328 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 329 ppm1 1.71 ppm2 3.60 volume 1.48e+07 { 329 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 330 ppm1 1.05 ppm2 3.60 volume 1.80e+07 { 330 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HB1)) 6.0 0.1 0.1 peak 331 ppm1 1.06 ppm2 1.70 volume 5.41e+07 { 331 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HB2)) 6.0 0.1 0.1 peak 332 ppm1 1.71 ppm2 1.05 volume 1.78e+09 { 332 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 333 ppm1 1.70 ppm2 0.44 volume 9.12e+08 { 333 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 334 ppm1 1.06 ppm2 0.43 volume 2.72e+07 { 334 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 335 ppm1 1.71 ppm2 0.06 volume 1.52e+07 { 335 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 336 ppm1 1.06 ppm2 0.06 volume 2.06e+07 { 336 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 337 ppm1 1.71 ppm2 1.40 volume 6.91e+08 { 337 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 338 ppm1 1.06 ppm2 1.40 volume 2.16e+07 { 338 } assi (((resi 13 and name HB1)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 339 ppm1 1.71 ppm2 7.65 volume 2.69e+07 { 339 } assi (((resi 13 and name HB2)) and bondedto ((resi 13 and name CB))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 340 ppm1 1.06 ppm2 7.65 volume 2.11e+07 { 340 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 8 and name HG1)) 6.0 0.1 0.1 peak 341 ppm1 0.44 ppm2 2.04 volume 1.45e+08 { 341 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 8 and name HG2)) 6.0 0.1 0.1 peak 342 ppm1 0.44 ppm2 1.94 volume 4.33e+08 { 342 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 343 ppm1 0.44 ppm2 4.12 volume 2.69e+07 { 343 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 344 ppm1 0.44 ppm2 3.60 volume 1.15e+07 { 344 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 13 and name HB1)) 6.0 0.1 0.1 peak 345 ppm1 0.44 ppm2 1.70 volume 6.48e+08 { 345 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 13 and name HB2)) 6.0 0.1 0.1 peak 346 ppm1 0.44 ppm2 1.05 volume 6.38e+08 { 346 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 347 ppm1 0.44 ppm2 0.06 volume 1.52e+09 { 347 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 348 ppm1 0.44 ppm2 1.40 volume 7.76e+08 { 348 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 349 ppm1 0.44 ppm2 7.65 volume 1.98e+07 { 349 } assi (((resi 13 and name HD1#)) and bondedto ((resi 13 and name CD1))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 350 ppm1 0.43 ppm2 6.75 volume 8.68e+06 { 350 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 8 and name HB1)) 6.0 0.1 0.1 peak 351 ppm1 0.07 ppm2 2.04 volume 3.14e+08 { 351 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 352 ppm1 0.07 ppm2 4.49 volume 2.64e+07 { 352 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 8 and name HG2)) 6.0 0.1 0.1 peak 353 ppm1 0.07 ppm2 1.95 volume 1.05e+09 { 353 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 10 and name HA)) 6.0 0.1 0.1 peak 354 ppm1 0.08 ppm2 4.13 volume 7.43e+06 { 354 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 10 and name HD#)) 6.0 0.1 0.1 peak 355 ppm1 0.07 ppm2 3.95 volume 8.62e+06 { 355 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 356 ppm1 0.07 ppm2 3.60 volume 6.85e+07 { 356 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 13 and name HB1)) 6.0 0.1 0.1 peak 357 ppm1 0.07 ppm2 1.70 volume 5.33e+08 { 357 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 13 and name HB2)) 6.0 0.1 0.1 peak 358 ppm1 0.07 ppm2 1.09 volume 7.00e+08 { 358 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 359 ppm1 0.07 ppm2 0.43 volume 2.10e+09 { 359 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 13 and name HG)) 6.0 0.1 0.1 peak 360 ppm1 0.07 ppm2 1.40 volume 1.22e+09 { 360 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 361 ppm1 0.07 ppm2 7.64 volume 1.10e+08 { 361 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 16 and name HD1#)) 6.0 0.1 0.1 peak 362 ppm1 0.07 ppm2 0.95 volume 8.75e+08 { 362 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 16 and name HD2#)) 6.0 0.1 0.1 peak 363 ppm1 0.07 ppm2 0.76 volume 1.14e+09 { 363 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 364 ppm1 0.07 ppm2 6.87 volume 9.76e+06 { 364 } assi (((resi 13 and name HD2#)) and bondedto ((resi 13 and name CD2))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 365 ppm1 0.07 ppm2 6.75 volume 1.50e+07 { 365 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 8 and name HB1)) 6.0 0.1 0.1 peak 366 ppm1 1.40 ppm2 2.07 volume 4.54e+08 { 366 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 12 and name HA)) 6.0 0.1 0.1 peak 367 ppm1 1.41 ppm2 4.12 volume 5.30e+06 { 367 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 12 and name HB1)) 6.0 0.1 0.1 peak 368 ppm1 1.40 ppm2 1.95 volume 5.62e+08 { 368 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 369 ppm1 1.40 ppm2 3.60 volume 7.07e+06 { 369 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 13 and name HB1)) 6.0 0.1 0.1 peak 370 ppm1 1.41 ppm2 1.70 volume 9.29e+08 { 370 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 13 and name HB2)) 6.0 0.1 0.1 peak 371 ppm1 1.40 ppm2 1.06 volume 4.87e+08 { 371 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 372 ppm1 1.40 ppm2 0.44 volume 6.27e+08 { 372 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 373 ppm1 1.40 ppm2 0.07 volume 6.75e+07 { 373 } assi (((resi 13 and name HG)) and bondedto ((resi 13 and name CG))) ((resi 13 and name HN)) 6.0 0.1 0.1 peak 374 ppm1 1.40 ppm2 7.66 volume 1.78e+07 { 374 } assi (((resi 14 and name HA)) and bondedto ((resi 14 and name CA))) ((resi 14 and name HB#)) 6.0 0.1 0.1 peak 375 ppm1 4.03 ppm2 1.87 volume 6.86e+08 { 375 } assi (((resi 14 and name HA)) and bondedto ((resi 14 and name CA))) ((resi 14 and name HD#)) 6.0 0.1 0.1 peak 376 ppm1 4.03 ppm2 1.65 volume 1.78e+08 { 376 } assi (((resi 14 and name HA)) and bondedto ((resi 14 and name CA))) ((resi 14 and name HG2)) 6.0 0.1 0.1 peak 377 ppm1 4.03 ppm2 1.42 volume 1.60e+08 { 377 } assi (((resi 14 and name HA)) and bondedto ((resi 14 and name CA))) ((resi 14 and name HN)) 6.0 0.1 0.1 peak 378 ppm1 4.03 ppm2 7.62 volume 4.89e+07 { 378 } assi (((resi 14 and name HA)) and bondedto ((resi 14 and name CA))) ((resi 15 and name HN)) 6.0 0.1 0.1 peak 379 ppm1 4.02 ppm2 8.02 volume 1.87e+07 { 379 } assi (((resi 14 and name HA)) and bondedto ((resi 14 and name CA))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 380 ppm1 4.02 ppm2 7.78 volume 9.41e+06 { 380 } assi (((resi 14 and name HB#)) and bondedto ((resi 14 and name CB))) ((resi 14 and name HA)) 6.0 0.1 0.1 peak 381 ppm1 1.88 ppm2 4.02 volume 3.88e+08 { 381 } assi (((resi 14 and name HB#)) and bondedto ((resi 14 and name CB))) ((resi 14 and name HE#)) 6.0 0.1 0.1 peak 382 ppm1 1.88 ppm2 2.93 volume 4.33e+06 { 382 } assi (((resi 14 and name HB#)) and bondedto ((resi 14 and name CB))) ((resi 14 and name HN)) 6.0 0.1 0.1 peak 383 ppm1 1.88 ppm2 7.63 volume 5.43e+07 { 383 } assi (((resi 14 and name HB#)) and bondedto ((resi 14 and name CB))) ((resi 15 and name HN)) 6.0 0.1 0.1 peak 384 ppm1 1.87 ppm2 8.02 volume 2.60e+07 { 384 } assi (((resi 14 and name HD#)) and bondedto ((resi 14 and name CD))) ((resi 14 and name HA)) 6.0 0.1 0.1 peak 385 ppm1 1.64 ppm2 4.04 volume 5.27e+07 { 385 } assi (((resi 14 and name HD#)) and bondedto ((resi 14 and name CD))) ((resi 14 and name HN)) 6.0 0.1 0.1 peak 386 ppm1 1.65 ppm2 7.62 volume 7.97e+07 { 386 } assi (((resi 14 and name HE#)) and bondedto ((resi 14 and name CE))) ((resi 14 and name HN)) 6.0 0.1 0.1 peak 387 ppm1 2.96 ppm2 7.62 volume 2.41e+07 { 387 } assi (((resi 14 and name HG1)) and bondedto ((resi 14 and name CG))) ((resi 14 and name HA)) 6.0 0.1 0.1 peak 388 ppm1 1.47 ppm2 4.02 volume 9.57e+07 { 388 } assi (((resi 14 and name HG2)) and bondedto ((resi 14 and name CG))) ((resi 14 and name HA)) 6.0 0.1 0.1 peak 389 ppm1 1.39 ppm2 4.02 volume 7.42e+07 { 389 } assi (((resi 14 and name HG1)) and bondedto ((resi 14 and name CG))) ((resi 14 and name HN)) 6.0 0.1 0.1 peak 390 ppm1 1.47 ppm2 7.63 volume 6.08e+07 { 390 } assi (((resi 15 and name HA)) and bondedto ((resi 15 and name CA))) ((resi 15 and name HB#)) 6.0 0.1 0.1 peak 391 ppm1 3.97 ppm2 2.17 volume 7.25e+08 { 391 } assi (((resi 15 and name HA)) and bondedto ((resi 15 and name CA))) ((resi 15 and name HG1)) 6.0 0.1 0.1 peak 392 ppm1 3.97 ppm2 2.36 volume 2.01e+08 { 392 } assi (((resi 15 and name HA)) and bondedto ((resi 15 and name CA))) ((resi 15 and name HN)) 6.0 0.1 0.1 peak 393 ppm1 3.96 ppm2 8.02 volume 3.02e+07 { 393 } assi (((resi 15 and name HA)) and bondedto ((resi 15 and name CA))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 394 ppm1 3.97 ppm2 7.76 volume 1.37e+07 { 394 } assi (((resi 15 and name HB#)) and bondedto ((resi 15 and name CB))) ((resi 15 and name HA)) 6.0 0.1 0.1 peak 395 ppm1 2.15 ppm2 3.97 volume 3.52e+07 { 395 } assi (((resi 15 and name HB#)) and bondedto ((resi 15 and name CB))) ((resi 15 and name HG1)) 6.0 0.1 0.1 peak 396 ppm1 2.15 ppm2 2.38 volume 1.18e+09 { 396 } assi (((resi 15 and name HB#)) and bondedto ((resi 15 and name CB))) ((resi 16 and name HA)) 6.0 0.1 0.1 peak 397 ppm1 2.15 ppm2 4.19 volume 3.72e+08 { 397 } assi (((resi 15 and name HB#)) and bondedto ((resi 15 and name CB))) ((resi 16 and name HD1#)) 6.0 0.1 0.1 peak 398 ppm1 2.15 ppm2 0.92 volume 6.76e+07 { 398 } assi (((resi 15 and name HB#)) and bondedto ((resi 15 and name CB))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 399 ppm1 2.16 ppm2 7.76 volume 1.12e+07 { 399 } assi (((resi 15 and name HG1)) and bondedto ((resi 15 and name CG))) ((resi 15 and name HA)) 6.0 0.1 0.1 peak 400 ppm1 2.36 ppm2 3.97 volume 2.42e+07 { 400 } assi (((resi 15 and name HG2)) and bondedto ((resi 15 and name CG))) ((resi 15 and name HA)) 6.0 0.1 0.1 peak 401 ppm1 2.20 ppm2 3.97 volume 2.18e+08 { 401 } assi (((resi 15 and name HG1)) and bondedto ((resi 15 and name CG))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 402 ppm1 2.36 ppm2 7.76 volume 4.37e+06 { 402 } assi (((resi 15 and name HG2)) and bondedto ((resi 15 and name CG))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 403 ppm1 2.20 ppm2 7.76 volume 7.46e+06 { 403 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 16 and name HB#)) 6.0 0.1 0.1 peak 404 ppm1 4.17 ppm2 1.49 volume 4.87e+08 { 404 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 16 and name HD1#)) 6.0 0.1 0.1 peak 405 ppm1 4.17 ppm2 0.91 volume 8.49e+07 { 405 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 16 and name HD2#)) 6.0 0.1 0.1 peak 406 ppm1 4.16 ppm2 0.74 volume 1.61e+07 { 406 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 16 and name HG)) 6.0 0.1 0.1 peak 407 ppm1 4.17 ppm2 1.79 volume 1.48e+08 { 407 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 408 ppm1 4.16 ppm2 7.76 volume 2.35e+07 { 408 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 17 and name HN)) 6.0 0.1 0.1 peak 409 ppm1 4.16 ppm2 7.61 volume 8.97e+06 { 409 } assi (((resi 16 and name HA)) and bondedto ((resi 16 and name CA))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 410 ppm1 4.16 ppm2 -0.05 volume 6.41e+06 { 410 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 411 ppm1 1.51 ppm2 3.60 volume 5.27e+06 { 411 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 16 and name HA)) 6.0 0.1 0.1 peak 412 ppm1 1.49 ppm2 4.17 volume 1.77e+07 { 412 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 16 and name HD1#)) 6.0 0.1 0.1 peak 413 ppm1 1.50 ppm2 0.90 volume 2.34e+08 { 413 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 16 and name HD2#)) 6.0 0.1 0.1 peak 414 ppm1 1.51 ppm2 0.74 volume 2.63e+08 { 414 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 415 ppm1 1.50 ppm2 7.77 volume 1.78e+07 { 415 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 416 ppm1 1.49 ppm2 -0.04 volume 2.12e+07 { 416 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 417 ppm1 1.49 ppm2 6.56 volume 5.33e+06 { 417 } assi (((resi 16 and name HB#)) and bondedto ((resi 16 and name CB))) ((resi 21 and name HZ2)) 6.0 0.1 0.1 peak 418 ppm1 1.50 ppm2 7.42 volume 8.69e+06 { 418 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 12 and name HE2)) 6.0 0.1 0.1 peak 419 ppm1 0.91 ppm2 2.86 volume 1.23e+07 { 419 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 16 and name HA)) 6.0 0.1 0.1 peak 420 ppm1 0.91 ppm2 4.16 volume 1.19e+08 { 420 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 16 and name HB#)) 6.0 0.1 0.1 peak 421 ppm1 0.91 ppm2 1.48 volume 4.59e+08 { 421 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 422 ppm1 0.91 ppm2 7.77 volume 2.21e+07 { 422 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 423 ppm1 0.91 ppm2 -0.04 volume 1.02e+08 { 423 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 21 and name HH2)) 6.0 0.1 0.1 peak 424 ppm1 0.91 ppm2 6.94 volume 1.22e+07 { 424 } assi (((resi 16 and name HD1#)) and bondedto ((resi 16 and name CD1))) ((resi 21 and name HZ2)) 6.0 0.1 0.1 peak 425 ppm1 0.91 ppm2 7.42 volume 2.09e+07 { 425 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 12 and name HE2)) 6.0 0.1 0.1 peak 426 ppm1 0.74 ppm2 2.86 volume 1.24e+07 { 426 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 427 ppm1 0.74 ppm2 3.60 volume 1.41e+07 { 427 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 428 ppm1 0.74 ppm2 0.04 volume 1.58e+07 { 428 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 16 and name HA)) 6.0 0.1 0.1 peak 429 ppm1 0.74 ppm2 4.16 volume 1.26e+07 { 429 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 16 and name HB#)) 6.0 0.1 0.1 peak 430 ppm1 0.74 ppm2 1.49 volume 4.75e+08 { 430 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 16 and name HD1#)) 6.0 0.1 0.1 peak 431 ppm1 0.74 ppm2 0.93 volume 3.56e+08 { 431 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 16 and name HG)) 6.0 0.1 0.1 peak 432 ppm1 0.74 ppm2 1.78 volume 3.36e+08 { 432 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 433 ppm1 0.74 ppm2 7.77 volume 1.55e+07 { 433 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 434 ppm1 0.74 ppm2 -0.04 volume 2.93e+07 { 434 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 21 and name HH2)) 6.0 0.1 0.1 peak 435 ppm1 0.74 ppm2 6.94 volume 6.79e+06 { 435 } assi (((resi 16 and name HD2#)) and bondedto ((resi 16 and name CD2))) ((resi 21 and name HZ2)) 6.0 0.1 0.1 peak 436 ppm1 0.74 ppm2 7.42 volume 6.22e+06 { 436 } assi (((resi 16 and name HG)) and bondedto ((resi 16 and name CG))) ((resi 16 and name HB#)) 6.0 0.1 0.1 peak 437 ppm1 1.78 ppm2 1.49 volume 3.49e+08 { 437 } assi (((resi 16 and name HG)) and bondedto ((resi 16 and name CG))) ((resi 16 and name HD2#)) 6.0 0.1 0.1 peak 438 ppm1 1.78 ppm2 0.74 volume 2.56e+08 { 438 } assi (((resi 17 and name HA)) and bondedto ((resi 17 and name CA))) ((resi 16 and name HB#)) 6.0 0.1 0.1 peak 439 ppm1 3.96 ppm2 1.49 volume 7.23e+07 { 439 } assi (((resi 17 and name HA)) and bondedto ((resi 17 and name CA))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 440 ppm1 3.96 ppm2 7.74 volume 7.12e+06 { 440 } assi (((resi 17 and name HA)) and bondedto ((resi 17 and name CA))) ((resi 17 and name HN)) 6.0 0.1 0.1 peak 441 ppm1 3.96 ppm2 7.60 volume 3.55e+07 { 441 } assi (((resi 17 and name HA)) and bondedto ((resi 17 and name CA))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 442 ppm1 3.97 ppm2 -0.05 volume 6.03e+06 { 442 } assi (((resi 17 and name HA)) and bondedto ((resi 17 and name CA))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 443 ppm1 3.96 ppm2 6.56 volume 2.01e+07 { 443 } assi (((resi 17 and name HA)) and bondedto ((resi 17 and name CA))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 444 ppm1 3.97 ppm2 8.28 volume 6.17e+06 { 444 } assi (((resi 17 and name HB1)) and bondedto ((resi 17 and name CB))) ((resi 17 and name HN)) 6.0 0.1 0.1 peak 445 ppm1 4.05 ppm2 7.59 volume 1.61e+08 { 445 } assi (((resi 17 and name HB2)) and bondedto ((resi 17 and name CB))) ((resi 17 and name HN)) 6.0 0.1 0.1 peak 446 ppm1 3.96 ppm2 7.59 volume 1.60e+08 { 446 } assi (((resi 17 and name HB1)) and bondedto ((resi 17 and name CB))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 447 ppm1 4.04 ppm2 6.57 volume 1.60e+07 { 447 } assi (((resi 17 and name HB2)) and bondedto ((resi 17 and name CB))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 448 ppm1 3.96 ppm2 6.56 volume 2.25e+07 { 448 } assi (((resi 17 and name HB1)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HB1)) 6.0 0.1 0.1 peak 449 ppm1 4.04 ppm2 2.12 volume 2.84e+07 { 449 } assi (((resi 17 and name HB2)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HB1)) 6.0 0.1 0.1 peak 450 ppm1 3.96 ppm2 2.11 volume 2.39e+07 { 450 } assi (((resi 17 and name HB1)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HB2)) 6.0 0.1 0.1 peak 451 ppm1 4.04 ppm2 1.96 volume 5.68e+07 { 451 } assi (((resi 17 and name HB2)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HB2)) 6.0 0.1 0.1 peak 452 ppm1 3.95 ppm2 1.96 volume 4.66e+07 { 452 } assi (((resi 17 and name HB1)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HD1)) 6.0 0.1 0.1 peak 453 ppm1 4.04 ppm2 1.71 volume 9.34e+07 { 453 } assi (((resi 17 and name HB2)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HD1)) 6.0 0.1 0.1 peak 454 ppm1 3.96 ppm2 1.71 volume 7.66e+07 { 454 } assi (((resi 17 and name HB1)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HG1)) 6.0 0.1 0.1 peak 455 ppm1 4.03 ppm2 1.46 volume 1.05e+08 { 455 } assi (((resi 17 and name HB2)) and bondedto ((resi 17 and name CB))) ((resi 20 and name HG1)) 6.0 0.1 0.1 peak 456 ppm1 3.96 ppm2 1.45 volume 9.42e+07 { 456 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 17 and name HA)) 6.0 0.1 0.1 peak 457 ppm1 1.19 ppm2 3.98 volume 5.31e+06 { 457 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 18 and name HB)) 6.0 0.1 0.1 peak 458 ppm1 1.18 ppm2 0.95 volume 4.55e+07 { 458 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 459 ppm1 1.18 ppm2 -0.05 volume 6.81e+07 { 459 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 460 ppm1 1.18 ppm2 6.56 volume 2.25e+07 { 460 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 19 and name HA)) 6.0 0.1 0.1 peak 461 ppm1 1.18 ppm2 3.42 volume 1.22e+07 { 461 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 462 ppm1 1.18 ppm2 8.28 volume 9.99e+06 { 462 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 20 and name HG1)) 6.0 0.1 0.1 peak 463 ppm1 1.18 ppm2 1.47 volume 7.99e+06 { 463 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 464 ppm1 1.18 ppm2 7.55 volume 6.08e+06 { 464 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 21 and name HB1)) 6.0 0.1 0.1 peak 465 ppm1 1.19 ppm2 3.70 volume 4.44e+06 { 465 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 21 and name HD1)) 6.0 0.1 0.1 peak 466 ppm1 1.18 ppm2 6.90 volume 5.21e+06 { 466 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 21 and name HE1)) 6.0 0.1 0.1 peak 467 ppm1 1.18 ppm2 9.39 volume 5.24e+06 { 467 } assi (((resi 18 and name HA)) and bondedto ((resi 18 and name CA))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 468 ppm1 1.18 ppm2 8.08 volume 6.88e+06 { 468 } assi (((resi 18 and name HB)) and bondedto ((resi 18 and name CB))) ((resi 18 and name HA)) 6.0 0.1 0.1 peak 469 ppm1 0.95 ppm2 1.17 volume 2.13e+07 { 469 } assi (((resi 18 and name HB)) and bondedto ((resi 18 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 470 ppm1 0.95 ppm2 -0.05 volume 7.28e+07 { 470 } assi (((resi 18 and name HB)) and bondedto ((resi 18 and name CB))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 471 ppm1 0.95 ppm2 6.56 volume 1.42e+07 { 471 } assi (((resi 18 and name HB)) and bondedto ((resi 18 and name CB))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 472 ppm1 0.96 ppm2 8.28 volume 3.90e+06 { 472 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 13 and name HA)) 6.0 0.1 0.1 peak 473 ppm1 -0.03 ppm2 3.60 volume 2.28e+08 { 473 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 13 and name HD1#)) 6.0 0.1 0.1 peak 474 ppm1 -0.04 ppm2 0.43 volume 8.68e+07 { 474 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 16 and name HB#)) 6.0 0.1 0.1 peak 475 ppm1 -0.03 ppm2 1.48 volume 5.25e+08 { 475 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 16 and name HD2#)) 6.0 0.1 0.1 peak 476 ppm1 -0.03 ppm2 0.74 volume 2.49e+08 { 476 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 16 and name HG)) 6.0 0.1 0.1 peak 477 ppm1 -0.04 ppm2 1.81 volume 9.50e+07 { 477 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 16 and name HN)) 6.0 0.1 0.1 peak 478 ppm1 -0.03 ppm2 7.76 volume 4.72e+07 { 478 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 17 and name HA)) 6.0 0.1 0.1 peak 479 ppm1 -0.03 ppm2 3.97 volume 8.74e+07 { 479 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 17 and name HN)) 6.0 0.1 0.1 peak 480 ppm1 -0.03 ppm2 7.60 volume 6.73e+07 { 480 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 18 and name HA)) 6.0 0.1 0.1 peak 481 ppm1 -0.04 ppm2 1.17 volume 5.17e+08 { 481 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 18 and name HB)) 6.0 0.1 0.1 peak 482 ppm1 -0.04 ppm2 0.94 volume 1.08e+09 { 482 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 18 and name HN)) 6.0 0.1 0.1 peak 483 ppm1 -0.03 ppm2 6.56 volume 5.33e+08 { 483 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 19 and name HG1)) 6.0 0.1 0.1 peak 484 ppm1 -0.04 ppm2 2.06 volume 6.01e+07 { 484 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 485 ppm1 -0.03 ppm2 8.28 volume 1.53e+08 { 485 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 21 and name HZ2)) 6.0 0.1 0.1 peak 486 ppm1 -0.02 ppm2 7.42 volume 2.19e+07 { 486 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 42 and name HB1)) 6.0 0.1 0.1 peak 487 ppm1 -0.05 ppm2 2.90 volume 1.32e+08 { 487 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 42 and name HB2)) 6.0 0.1 0.1 peak 488 ppm1 -0.05 ppm2 2.74 volume 1.24e+08 { 488 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 489 ppm1 -0.04 ppm2 6.86 volume 2.41e+08 { 489 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 85 and name HB1)) 6.0 0.1 0.1 peak 490 ppm1 -0.05 ppm2 3.70 volume 1.06e+08 { 490 } assi (((resi 18 and name HG*)) and bondedto ((resi 18 and name CG#))) ((resi 85 and name HB2)) 6.0 0.1 0.1 peak 491 ppm1 -0.05 ppm2 3.12 volume 6.10e+07 { 491 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 492 ppm1 3.41 ppm2 -0.05 volume 1.17e+07 { 492 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 19 and name HB#)) 6.0 0.1 0.1 peak 493 ppm1 3.41 ppm2 1.86 volume 8.81e+07 { 493 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 19 and name HG1)) 6.0 0.1 0.1 peak 494 ppm1 3.41 ppm2 2.05 volume 2.60e+07 { 494 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 495 ppm1 3.41 ppm2 8.28 volume 3.08e+07 { 495 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 496 ppm1 3.41 ppm2 7.55 volume 1.07e+07 { 496 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 497 ppm1 3.43 ppm2 8.08 volume 6.15e+06 { 497 } assi (((resi 19 and name HA)) and bondedto ((resi 19 and name CA))) ((resi 85 and name HE1)) 6.0 0.1 0.1 peak 498 ppm1 3.41 ppm2 7.80 volume 1.65e+07 { 498 } assi (((resi 19 and name HB#)) and bondedto ((resi 19 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 499 ppm1 1.85 ppm2 -0.04 volume 4.68e+06 { 499 } assi (((resi 19 and name HB#)) and bondedto ((resi 19 and name CB))) ((resi 19 and name HA)) 6.0 0.1 0.1 peak 500 ppm1 1.86 ppm2 3.41 volume 4.34e+07 { 500 } assi (((resi 19 and name HB#)) and bondedto ((resi 19 and name CB))) ((resi 19 and name HG1)) 6.0 0.1 0.1 peak 501 ppm1 1.86 ppm2 2.06 volume 1.27e+09 { 501 } assi (((resi 19 and name HB#)) and bondedto ((resi 19 and name CB))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 502 ppm1 1.86 ppm2 8.28 volume 3.45e+07 { 502 } assi (((resi 19 and name HB#)) and bondedto ((resi 19 and name CB))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 503 ppm1 1.85 ppm2 7.56 volume 5.31e+06 { 503 } assi (((resi 19 and name HG1)) and bondedto ((resi 19 and name CG))) ((resi 19 and name HA)) 6.0 0.1 0.1 peak 504 ppm1 2.04 ppm2 3.42 volume 3.87e+06 { 504 } assi (((resi 19 and name HG1)) and bondedto ((resi 19 and name CG))) ((resi 19 and name HB#)) 6.0 0.1 0.1 peak 505 ppm1 2.04 ppm2 1.86 volume 2.75e+08 { 505 } assi (((resi 19 and name HG2)) and bondedto ((resi 19 and name CG))) ((resi 19 and name HB#)) 6.0 0.1 0.1 peak 506 ppm1 2.09 ppm2 1.86 volume 3.02e+08 { 506 } assi (((resi 19 and name HG1)) and bondedto ((resi 19 and name CG))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 507 ppm1 2.04 ppm2 8.29 volume 5.32e+06 { 507 } assi (((resi 19 and name HG2)) and bondedto ((resi 19 and name CG))) ((resi 19 and name HN)) 6.0 0.1 0.1 peak 508 ppm1 2.12 ppm2 8.28 volume 5.36e+06 { 508 } assi (((resi 20 and name HA)) and bondedto ((resi 20 and name CA))) ((resi 20 and name HB1)) 6.0 0.1 0.1 peak 509 ppm1 4.41 ppm2 2.13 volume 6.55e+08 { 509 } assi (((resi 20 and name HA)) and bondedto ((resi 20 and name CA))) ((resi 20 and name HB2)) 6.0 0.1 0.1 peak 510 ppm1 4.41 ppm2 1.97 volume 6.51e+08 { 510 } assi (((resi 20 and name HA)) and bondedto ((resi 20 and name CA))) ((resi 20 and name HG2)) 6.0 0.1 0.1 peak 511 ppm1 4.41 ppm2 1.43 volume 3.75e+08 { 511 } assi (((resi 20 and name HA)) and bondedto ((resi 20 and name CA))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 512 ppm1 4.41 ppm2 7.54 volume 1.95e+07 { 512 } assi (((resi 20 and name HA)) and bondedto ((resi 20 and name CA))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 513 ppm1 4.40 ppm2 8.07 volume 7.12e+06 { 513 } assi (((resi 20 and name HB1)) and bondedto ((resi 20 and name CB))) ((resi 20 and name HA)) 6.0 0.1 0.1 peak 514 ppm1 2.13 ppm2 4.41 volume 2.73e+08 { 514 } assi (((resi 20 and name HB2)) and bondedto ((resi 20 and name CB))) ((resi 20 and name HA)) 6.0 0.1 0.1 peak 515 ppm1 1.95 ppm2 4.41 volume 1.78e+08 { 515 } assi (((resi 20 and name HB1)) and bondedto ((resi 20 and name CB))) ((resi 20 and name HD2)) 6.0 0.1 0.1 peak 516 ppm1 2.12 ppm2 1.70 volume 1.57e+08 { 516 } assi (((resi 20 and name HB1)) and bondedto ((resi 20 and name CB))) ((resi 20 and name HG2)) 6.0 0.1 0.1 peak 517 ppm1 2.12 ppm2 1.44 volume 1.92e+08 { 517 } assi (((resi 20 and name HB1)) and bondedto ((resi 20 and name CB))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 518 ppm1 2.12 ppm2 7.54 volume 1.34e+07 { 518 } assi (((resi 20 and name HB1)) and bondedto ((resi 20 and name CB))) ((resi 21 and name HD1)) 6.0 0.1 0.1 peak 519 ppm1 2.12 ppm2 6.90 volume 2.27e+07 { 519 } assi (((resi 20 and name HB2)) and bondedto ((resi 20 and name CB))) ((resi 21 and name HD1)) 6.0 0.1 0.1 peak 520 ppm1 1.95 ppm2 6.90 volume 2.19e+07 { 520 } assi (((resi 20 and name HB1)) and bondedto ((resi 20 and name CB))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 521 ppm1 2.12 ppm2 8.08 volume 3.50e+06 { 521 } assi (((resi 20 and name HD1)) and bondedto ((resi 20 and name CD))) ((resi 17 and name HA)) 6.0 0.1 0.1 peak 522 ppm1 1.72 ppm2 3.98 volume 1.09e+07 { 522 } assi (((resi 20 and name HD2)) and bondedto ((resi 20 and name CD))) ((resi 20 and name HA)) 6.0 0.1 0.1 peak 523 ppm1 1.71 ppm2 4.42 volume 1.67e+07 { 523 } assi (((resi 20 and name HD2)) and bondedto ((resi 20 and name CD))) ((resi 20 and name HE#)) 6.0 0.1 0.1 peak 524 ppm1 1.70 ppm2 3.02 volume 3.79e+07 { 524 } assi (((resi 20 and name HE#)) and bondedto ((resi 20 and name CE))) ((resi 17 and name HA)) 6.0 0.1 0.1 peak 525 ppm1 3.03 ppm2 3.99 volume 8.64e+07 { 525 } assi (((resi 20 and name HE#)) and bondedto ((resi 20 and name CE))) ((resi 20 and name HA)) 6.0 0.1 0.1 peak 526 ppm1 3.03 ppm2 4.40 volume 5.67e+07 { 526 } assi (((resi 20 and name HE#)) and bondedto ((resi 20 and name CE))) ((resi 20 and name HB1)) 6.0 0.1 0.1 peak 527 ppm1 3.03 ppm2 2.11 volume 8.35e+07 { 527 } assi (((resi 20 and name HE#)) and bondedto ((resi 20 and name CE))) ((resi 20 and name HD2)) 6.0 0.1 0.1 peak 528 ppm1 3.03 ppm2 1.71 volume 7.76e+08 { 528 } assi (((resi 20 and name HE#)) and bondedto ((resi 20 and name CE))) ((resi 20 and name HG2)) 6.0 0.1 0.1 peak 529 ppm1 3.03 ppm2 1.45 volume 2.16e+08 { 529 } assi (((resi 20 and name HG2)) and bondedto ((resi 20 and name CG))) ((resi 17 and name HA)) 6.0 0.1 0.1 peak 530 ppm1 1.46 ppm2 3.98 volume 6.78e+06 { 530 } assi (((resi 20 and name HG2)) and bondedto ((resi 20 and name CG))) ((resi 17 and name HA)) 6.0 0.1 0.1 peak 531 ppm1 1.41 ppm2 3.98 volume 6.53e+06 { 531 } assi (((resi 20 and name HG1)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HA)) 6.0 0.1 0.1 peak 532 ppm1 1.47 ppm2 4.41 volume 1.72e+07 { 532 } assi (((resi 20 and name HG2)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HA)) 6.0 0.1 0.1 peak 533 ppm1 1.42 ppm2 4.41 volume 1.60e+07 { 533 } assi (((resi 20 and name HG1)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HB1)) 6.0 0.1 0.1 peak 534 ppm1 1.47 ppm2 2.12 volume 2.99e+08 { 534 } assi (((resi 20 and name HG2)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HB1)) 6.0 0.1 0.1 peak 535 ppm1 1.40 ppm2 2.11 volume 2.88e+08 { 535 } assi (((resi 20 and name HG1)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HE#)) 6.0 0.1 0.1 peak 536 ppm1 1.47 ppm2 3.03 volume 1.02e+07 { 536 } assi (((resi 20 and name HG2)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HE#)) 6.0 0.1 0.1 peak 537 ppm1 1.42 ppm2 3.03 volume 9.24e+06 { 537 } assi (((resi 20 and name HG1)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 538 ppm1 1.47 ppm2 7.55 volume 1.11e+07 { 538 } assi (((resi 20 and name HG2)) and bondedto ((resi 20 and name CG))) ((resi 20 and name HN)) 6.0 0.1 0.1 peak 539 ppm1 1.41 ppm2 7.54 volume 8.77e+06 { 539 } assi (((resi 21 and name HA)) and bondedto ((resi 21 and name CA))) ((resi 21 and name HB1)) 6.0 0.1 0.1 peak 540 ppm1 5.04 ppm2 3.71 volume 5.38e+08 { 540 } assi (((resi 21 and name HA)) and bondedto ((resi 21 and name CA))) ((resi 21 and name HD1)) 6.0 0.1 0.1 peak 541 ppm1 5.04 ppm2 6.90 volume 2.83e+07 { 541 } assi (((resi 21 and name HA)) and bondedto ((resi 21 and name CA))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 542 ppm1 5.03 ppm2 8.08 volume 1.31e+07 { 542 } assi (((resi 21 and name HA)) and bondedto ((resi 21 and name CA))) ((resi 22 and name HD1)) 6.0 0.1 0.1 peak 543 ppm1 5.04 ppm2 4.10 volume 3.59e+07 { 543 } assi (((resi 21 and name HA)) and bondedto ((resi 21 and name CA))) ((resi 22 and name HG2)) 6.0 0.1 0.1 peak 544 ppm1 5.04 ppm2 1.24 volume 7.43e+06 { 544 } assi (((resi 21 and name HB1)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HA)) 6.0 0.1 0.1 peak 545 ppm1 3.71 ppm2 5.03 volume 6.09e+06 { 545 } assi (((resi 21 and name HB2)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HA)) 6.0 0.1 0.1 peak 546 ppm1 3.52 ppm2 5.06 volume 7.10e+06 { 546 } assi (((resi 21 and name HB2)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HB1)) 6.0 0.1 0.1 peak 547 ppm1 3.52 ppm2 3.71 volume 1.79e+07 { 547 } assi (((resi 21 and name HB1)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HB2)) 6.0 0.1 0.1 peak 548 ppm1 3.68 ppm2 3.52 volume 1.18e+07 { 548 } assi (((resi 21 and name HB1)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HE3)) 6.0 0.1 0.1 peak 549 ppm1 3.70 ppm2 7.10 volume 5.64e+06 { 549 } assi (((resi 21 and name HB2)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HE3)) 6.0 0.1 0.1 peak 550 ppm1 3.50 ppm2 7.11 volume 4.57e+06 { 550 } assi (((resi 21 and name HB1)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 551 ppm1 3.69 ppm2 8.09 volume 7.75e+06 { 551 } assi (((resi 21 and name HB2)) and bondedto ((resi 21 and name CB))) ((resi 21 and name HN)) 6.0 0.1 0.1 peak 552 ppm1 3.51 ppm2 8.08 volume 3.91e+06 { 552 } assi (((resi 21 and name HB1)) and bondedto ((resi 21 and name CB))) ((resi 22 and name HD1)) 6.0 0.1 0.1 peak 553 ppm1 3.70 ppm2 4.09 volume 4.21e+07 { 553 } assi (((resi 21 and name HB2)) and bondedto ((resi 21 and name CB))) ((resi 22 and name HD1)) 6.0 0.1 0.1 peak 554 ppm1 3.53 ppm2 4.10 volume 2.65e+07 { 554 } assi (((resi 21 and name HB1)) and bondedto ((resi 21 and name CB))) ((resi 86 and name HN)) 6.0 0.1 0.1 peak 555 ppm1 3.71 ppm2 9.17 volume 4.25e+07 { 555 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 22 and name HA)) 6.0 0.1 0.1 peak 556 ppm1 2.37 ppm2 4.64 volume 4.10e+08 { 556 } assi (((resi 22 and name HB2)) and bondedto ((resi 22 and name CB))) ((resi 22 and name HB1)) 6.0 0.1 0.1 peak 557 ppm1 1.88 ppm2 2.36 volume 9.80e+08 { 557 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 22 and name HB2)) 6.0 0.1 0.1 peak 558 ppm1 2.37 ppm2 1.90 volume 5.64e+08 { 558 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 22 and name HD1)) 6.0 0.1 0.1 peak 559 ppm1 2.37 ppm2 4.11 volume 9.51e+06 { 559 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 22 and name HD2)) 6.0 0.1 0.1 peak 560 ppm1 2.37 ppm2 3.71 volume 1.07e+07 { 560 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 22 and name HG2)) 6.0 0.1 0.1 peak 561 ppm1 2.37 ppm2 1.25 volume 1.41e+07 { 561 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 562 ppm1 2.37 ppm2 8.20 volume 1.57e+07 { 562 } assi (((resi 22 and name HB2)) and bondedto ((resi 22 and name CB))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 563 ppm1 1.88 ppm2 8.20 volume 1.62e+07 { 563 } assi (((resi 22 and name HB1)) and bondedto ((resi 22 and name CB))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 564 ppm1 2.38 ppm2 6.65 volume 6.27e+06 { 564 } assi (((resi 22 and name HB2)) and bondedto ((resi 22 and name CB))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 565 ppm1 1.88 ppm2 6.66 volume 1.05e+07 { 565 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 21 and name HA)) 6.0 0.1 0.1 peak 566 ppm1 4.10 ppm2 5.04 volume 2.43e+07 { 566 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 21 and name HA)) 6.0 0.1 0.1 peak 567 ppm1 3.71 ppm2 5.04 volume 2.99e+07 { 567 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 21 and name HD1)) 6.0 0.1 0.1 peak 568 ppm1 4.09 ppm2 6.88 volume 7.05e+06 { 568 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 21 and name HD1)) 6.0 0.1 0.1 peak 569 ppm1 3.69 ppm2 6.88 volume 3.32e+06 { 569 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HA)) 6.0 0.1 0.1 peak 570 ppm1 4.09 ppm2 4.66 volume 6.63e+06 { 570 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HA)) 6.0 0.1 0.1 peak 571 ppm1 3.70 ppm2 4.64 volume 1.20e+07 { 571 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HB1)) 6.0 0.1 0.1 peak 572 ppm1 4.10 ppm2 2.37 volume 5.66e+06 { 572 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HB1)) 6.0 0.1 0.1 peak 573 ppm1 3.70 ppm2 2.37 volume 8.25e+06 { 573 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HD1)) 6.0 0.1 0.1 peak 574 ppm1 3.71 ppm2 4.10 volume 5.09e+08 { 574 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HD2)) 6.0 0.1 0.1 peak 575 ppm1 4.10 ppm2 3.71 volume 6.29e+08 { 575 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HG1)) 6.0 0.1 0.1 peak 576 ppm1 4.10 ppm2 1.78 volume 1.46e+07 { 576 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HG1)) 6.0 0.1 0.1 peak 577 ppm1 3.72 ppm2 1.76 volume 2.17e+07 { 577 } assi (((resi 22 and name HD1)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HG2)) 6.0 0.1 0.1 peak 578 ppm1 4.10 ppm2 1.25 volume 1.52e+07 { 578 } assi (((resi 22 and name HD2)) and bondedto ((resi 22 and name CD))) ((resi 22 and name HG2)) 6.0 0.1 0.1 peak 579 ppm1 3.71 ppm2 1.24 volume 1.48e+07 { 579 } assi (((resi 22 and name HG1)) and bondedto ((resi 22 and name CG))) ((resi 21 and name HA)) 6.0 0.1 0.1 peak 580 ppm1 1.76 ppm2 5.04 volume 9.07e+06 { 580 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 21 and name HA)) 6.0 0.1 0.1 peak 581 ppm1 1.27 ppm2 5.05 volume 4.60e+06 { 581 } assi (((resi 22 and name HG1)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HA)) 6.0 0.1 0.1 peak 582 ppm1 1.75 ppm2 4.63 volume 5.91e+06 { 582 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HA)) 6.0 0.1 0.1 peak 583 ppm1 1.26 ppm2 4.63 volume 1.06e+07 { 583 } assi (((resi 22 and name HG1)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HB1)) 6.0 0.1 0.1 peak 584 ppm1 1.76 ppm2 2.37 volume 1.70e+08 { 584 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HB1)) 6.0 0.1 0.1 peak 585 ppm1 1.26 ppm2 2.37 volume 1.28e+08 { 585 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HD1)) 6.0 0.1 0.1 peak 586 ppm1 1.25 ppm2 4.10 volume 1.66e+07 { 586 } assi (((resi 22 and name HG1)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HD2)) 6.0 0.1 0.1 peak 587 ppm1 1.76 ppm2 3.72 volume 2.43e+07 { 587 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HD2)) 6.0 0.1 0.1 peak 588 ppm1 1.26 ppm2 3.71 volume 1.83e+07 { 588 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 22 and name HG1)) 6.0 0.1 0.1 peak 589 ppm1 1.26 ppm2 1.76 volume 7.48e+08 { 589 } assi (((resi 22 and name HG1)) and bondedto ((resi 22 and name CG))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 590 ppm1 1.76 ppm2 6.65 volume 5.61e+06 { 590 } assi (((resi 22 and name HG2)) and bondedto ((resi 22 and name CG))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 591 ppm1 1.26 ppm2 6.65 volume 2.73e+07 { 591 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 23 and name HD1#)) 6.0 0.1 0.1 peak 592 ppm1 5.52 ppm2 0.62 volume 1.06e+07 { 592 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 23 and name HG11)) 6.0 0.1 0.1 peak 593 ppm1 5.52 ppm2 1.65 volume 1.90e+07 { 593 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 23 and name HG12)) 6.0 0.1 0.1 peak 594 ppm1 5.52 ppm2 0.54 volume 1.37e+07 { 594 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 595 ppm1 5.52 ppm2 0.77 volume 2.33e+07 { 595 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 596 ppm1 5.53 ppm2 8.21 volume 1.05e+07 { 596 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 597 ppm1 5.52 ppm2 9.28 volume 3.18e+07 { 597 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 85 and name HA)) 6.0 0.1 0.1 peak 598 ppm1 5.52 ppm2 6.07 volume 1.56e+07 { 598 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 85 and name HB2)) 6.0 0.1 0.1 peak 599 ppm1 5.53 ppm2 3.12 volume 3.18e+06 { 599 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 86 and name HB2)) 6.0 0.1 0.1 peak 600 ppm1 5.52 ppm2 2.70 volume 5.41e+06 { 600 } assi (((resi 23 and name HA)) and bondedto ((resi 23 and name CA))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 601 ppm1 5.52 ppm2 6.83 volume 5.82e+06 { 601 } assi (((resi 23 and name HB)) and bondedto ((resi 23 and name CB))) ((resi 22 and name HA)) 6.0 0.1 0.1 peak 602 ppm1 1.67 ppm2 4.64 volume 7.68e+06 { 602 } assi (((resi 23 and name HB)) and bondedto ((resi 23 and name CB))) ((resi 23 and name HA)) 6.0 0.1 0.1 peak 603 ppm1 1.67 ppm2 5.52 volume 9.11e+06 { 603 } assi (((resi 23 and name HB)) and bondedto ((resi 23 and name CB))) ((resi 23 and name HD1#)) 6.0 0.1 0.1 peak 604 ppm1 1.67 ppm2 0.62 volume 3.06e+08 { 604 } assi (((resi 23 and name HB)) and bondedto ((resi 23 and name CB))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 605 ppm1 1.67 ppm2 8.20 volume 3.06e+07 { 605 } assi (((resi 23 and name HB)) and bondedto ((resi 23 and name CB))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 606 ppm1 1.67 ppm2 9.28 volume 1.48e+07 { 606 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 23 and name HA)) 6.0 0.1 0.1 peak 607 ppm1 0.64 ppm2 5.52 volume 1.35e+07 { 607 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 23 and name HG11)) 6.0 0.1 0.1 peak 608 ppm1 0.64 ppm2 1.63 volume 1.02e+08 { 608 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 609 ppm1 0.64 ppm2 0.76 volume 1.05e+09 { 609 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 610 ppm1 0.63 ppm2 8.20 volume 9.76e+06 { 610 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 611 ppm1 0.64 ppm2 9.27 volume 4.54e+06 { 611 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 85 and name HA)) 6.0 0.1 0.1 peak 612 ppm1 0.64 ppm2 6.07 volume 6.12e+06 { 612 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 85 and name HB2)) 6.0 0.1 0.1 peak 613 ppm1 0.64 ppm2 3.16 volume 7.89e+06 { 613 } assi (((resi 23 and name HD1#)) and bondedto ((resi 23 and name CD1))) ((resi 85 and name HE1)) 6.0 0.1 0.1 peak 614 ppm1 0.64 ppm2 7.79 volume 2.33e+07 { 614 } assi (((resi 23 and name HG11)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HA)) 6.0 0.1 0.1 peak 615 ppm1 1.61 ppm2 5.52 volume 8.43e+06 { 615 } assi (((resi 23 and name HG12)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HA)) 6.0 0.1 0.1 peak 616 ppm1 0.54 ppm2 5.53 volume 1.05e+07 { 616 } assi (((resi 23 and name HG11)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HD1#)) 6.0 0.1 0.1 peak 617 ppm1 1.62 ppm2 0.62 volume 3.16e+08 { 617 } assi (((resi 23 and name HG12)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HG11)) 6.0 0.1 0.1 peak 618 ppm1 0.54 ppm2 1.62 volume 6.20e+07 { 618 } assi (((resi 23 and name HG11)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HG12)) 6.0 0.1 0.1 peak 619 ppm1 1.62 ppm2 0.54 volume 5.52e+08 { 619 } assi (((resi 23 and name HG11)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 620 ppm1 1.62 ppm2 0.77 volume 3.65e+08 { 620 } assi (((resi 23 and name HG12)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 621 ppm1 0.54 ppm2 0.77 volume 2.35e+08 { 621 } assi (((resi 23 and name HG11)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 622 ppm1 1.62 ppm2 8.20 volume 1.38e+07 { 622 } assi (((resi 23 and name HG12)) and bondedto ((resi 23 and name CG1))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 623 ppm1 0.54 ppm2 8.20 volume 5.70e+06 { 623 } assi (((resi 23 and name HG12)) and bondedto ((resi 23 and name CG1))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 624 ppm1 0.54 ppm2 9.28 volume 2.15e+07 { 624 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 23 and name HA)) 6.0 0.1 0.1 peak 625 ppm1 0.77 ppm2 5.52 volume 3.17e+07 { 625 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 23 and name HG11)) 6.0 0.1 0.1 peak 626 ppm1 0.77 ppm2 1.65 volume 9.11e+08 { 626 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 23 and name HN)) 6.0 0.1 0.1 peak 627 ppm1 0.77 ppm2 8.20 volume 1.31e+07 { 627 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 24 and name HA)) 6.0 0.1 0.1 peak 628 ppm1 0.77 ppm2 5.01 volume 6.20e+06 { 628 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 24 and name HB2)) 6.0 0.1 0.1 peak 629 ppm1 0.77 ppm2 3.16 volume 1.32e+07 { 629 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 630 ppm1 0.77 ppm2 9.27 volume 3.03e+07 { 630 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 25 and name HA)) 6.0 0.1 0.1 peak 631 ppm1 0.77 ppm2 5.28 volume 1.31e+07 { 631 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 25 and name HG1)) 6.0 0.1 0.1 peak 632 ppm1 0.77 ppm2 2.09 volume 1.32e+08 { 632 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 84 and name HN)) 6.0 0.1 0.1 peak 633 ppm1 0.77 ppm2 9.81 volume 9.20e+07 { 633 } assi (((resi 23 and name HG2#)) and bondedto ((resi 23 and name CG2))) ((resi 85 and name HA)) 6.0 0.1 0.1 peak 634 ppm1 0.76 ppm2 6.06 volume 6.99e+06 { 634 } assi (((resi 24 and name HA)) and bondedto ((resi 24 and name CA))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 635 ppm1 5.00 ppm2 0.78 volume 5.39e+06 { 635 } assi (((resi 24 and name HA)) and bondedto ((resi 24 and name CA))) ((resi 24 and name HB1)) 6.0 0.1 0.1 peak 636 ppm1 4.99 ppm2 2.72 volume 1.25e+08 { 636 } assi (((resi 24 and name HA)) and bondedto ((resi 24 and name CA))) ((resi 24 and name HD1)) 6.0 0.1 0.1 peak 637 ppm1 4.99 ppm2 7.27 volume 3.13e+07 { 637 } assi (((resi 24 and name HA)) and bondedto ((resi 24 and name CA))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 638 ppm1 4.99 ppm2 9.29 volume 8.42e+07 { 638 } assi (((resi 24 and name HA)) and bondedto ((resi 24 and name CA))) ((resi 25 and name HB#)) 6.0 0.1 0.1 peak 639 ppm1 5.00 ppm2 1.81 volume 6.36e+06 { 639 } assi (((resi 24 and name HA)) and bondedto ((resi 24 and name CA))) ((resi 25 and name HN)) 6.0 0.1 0.1 peak 640 ppm1 4.99 ppm2 7.90 volume 4.51e+08 { 640 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HA)) 6.0 0.1 0.1 peak 641 ppm1 2.73 ppm2 4.99 volume 5.05e+06 { 641 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HA)) 6.0 0.1 0.1 peak 642 ppm1 3.15 ppm2 5.00 volume 8.01e+06 { 642 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HB1)) 6.0 0.1 0.1 peak 643 ppm1 3.15 ppm2 2.72 volume 1.50e+07 { 643 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HB2)) 6.0 0.1 0.1 peak 644 ppm1 2.73 ppm2 3.16 volume 1.38e+07 { 644 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HD1)) 6.0 0.1 0.1 peak 645 ppm1 2.71 ppm2 7.28 volume 3.02e+06 { 645 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HD1)) 6.0 0.1 0.1 peak 646 ppm1 3.16 ppm2 7.28 volume 4.10e+06 { 646 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HE3)) 6.0 0.1 0.1 peak 647 ppm1 2.72 ppm2 6.65 volume 5.46e+06 { 647 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HE3)) 6.0 0.1 0.1 peak 648 ppm1 3.16 ppm2 6.66 volume 9.20e+06 { 648 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HH2)) 6.0 0.1 0.1 peak 649 ppm1 3.15 ppm2 7.07 volume 4.08e+06 { 649 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 650 ppm1 2.73 ppm2 9.27 volume 3.18e+06 { 650 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 24 and name HN)) 6.0 0.1 0.1 peak 651 ppm1 3.15 ppm2 9.28 volume 4.88e+06 { 651 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 84 and name HG1)) 6.0 0.1 0.1 peak 652 ppm1 2.73 ppm2 2.08 volume 3.70e+06 { 652 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 84 and name HG1)) 6.0 0.1 0.1 peak 653 ppm1 3.17 ppm2 2.08 volume 4.00e+06 { 653 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 654 ppm1 2.75 ppm2 1.36 volume 1.40e+07 { 654 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 655 ppm1 3.14 ppm2 1.36 volume 2.91e+07 { 655 } assi (((resi 24 and name HB1)) and bondedto ((resi 24 and name CB))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 656 ppm1 2.71 ppm2 6.83 volume 3.32e+06 { 656 } assi (((resi 24 and name HB2)) and bondedto ((resi 24 and name CB))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 657 ppm1 3.15 ppm2 6.82 volume 4.90e+06 { 657 } assi (((resi 25 and name HA)) and bondedto ((resi 25 and name CA))) ((resi 25 and name HB#)) 6.0 0.1 0.1 peak 658 ppm1 5.26 ppm2 1.81 volume 3.80e+08 { 658 } assi (((resi 25 and name HA)) and bondedto ((resi 25 and name CA))) ((resi 25 and name HG2)) 6.0 0.1 0.1 peak 659 ppm1 5.26 ppm2 2.04 volume 1.96e+08 { 659 } assi (((resi 25 and name HA)) and bondedto ((resi 25 and name CA))) ((resi 25 and name HN)) 6.0 0.1 0.1 peak 660 ppm1 5.26 ppm2 7.92 volume 1.15e+07 { 660 } assi (((resi 25 and name HA)) and bondedto ((resi 25 and name CA))) ((resi 26 and name HB1)) 6.0 0.1 0.1 peak 661 ppm1 5.26 ppm2 1.33 volume 7.73e+07 { 661 } assi (((resi 25 and name HA)) and bondedto ((resi 25 and name CA))) ((resi 26 and name HN)) 6.0 0.1 0.1 peak 662 ppm1 5.26 ppm2 8.15 volume 5.33e+07 { 662 } assi (((resi 25 and name HA)) and bondedto ((resi 25 and name CA))) ((resi 84 and name HN)) 6.0 0.1 0.1 peak 663 ppm1 5.26 ppm2 9.83 volume 6.66e+06 { 663 } assi (((resi 25 and name HB#)) and bondedto ((resi 25 and name CB))) ((resi 25 and name HA)) 6.0 0.1 0.1 peak 664 ppm1 1.82 ppm2 5.27 volume 2.01e+07 { 664 } assi (((resi 25 and name HB#)) and bondedto ((resi 25 and name CB))) ((resi 25 and name HG2)) 6.0 0.1 0.1 peak 665 ppm1 1.82 ppm2 2.03 volume 4.12e+08 { 665 } assi (((resi 25 and name HB#)) and bondedto ((resi 25 and name CB))) ((resi 25 and name HN)) 6.0 0.1 0.1 peak 666 ppm1 1.81 ppm2 7.90 volume 8.91e+06 { 666 } assi (((resi 25 and name HB#)) and bondedto ((resi 25 and name CB))) ((resi 26 and name HN)) 6.0 0.1 0.1 peak 667 ppm1 1.80 ppm2 8.15 volume 8.47e+06 { 667 } assi (((resi 25 and name HG1)) and bondedto ((resi 25 and name CG))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 668 ppm1 2.08 ppm2 0.77 volume 8.60e+06 { 668 } assi (((resi 25 and name HG2)) and bondedto ((resi 25 and name CG))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 669 ppm1 2.00 ppm2 0.77 volume 8.06e+06 { 669 } assi (((resi 25 and name HG1)) and bondedto ((resi 25 and name CG))) ((resi 25 and name HA)) 6.0 0.1 0.1 peak 670 ppm1 2.07 ppm2 5.27 volume 1.14e+07 { 670 } assi (((resi 25 and name HG2)) and bondedto ((resi 25 and name CG))) ((resi 25 and name HA)) 6.0 0.1 0.1 peak 671 ppm1 2.00 ppm2 5.27 volume 1.20e+07 { 671 } assi (((resi 25 and name HG1)) and bondedto ((resi 25 and name CG))) ((resi 25 and name HN)) 6.0 0.1 0.1 peak 672 ppm1 2.07 ppm2 7.90 volume 5.90e+06 { 672 } assi (((resi 25 and name HG2)) and bondedto ((resi 25 and name CG))) ((resi 25 and name HN)) 6.0 0.1 0.1 peak 673 ppm1 1.99 ppm2 7.90 volume 6.09e+06 { 673 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 674 ppm1 3.88 ppm2 0.19 volume 1.76e+07 { 674 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 26 and name HD1)) 6.0 0.1 0.1 peak 675 ppm1 3.88 ppm2 1.57 volume 2.35e+07 { 675 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 26 and name HD2)) 6.0 0.1 0.1 peak 676 ppm1 3.88 ppm2 1.09 volume 1.52e+07 { 676 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 677 ppm1 3.88 ppm2 1.76 volume 1.25e+07 { 677 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 26 and name HG2)) 6.0 0.1 0.1 peak 678 ppm1 3.88 ppm2 1.26 volume 1.74e+07 { 678 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 26 and name HN)) 6.0 0.1 0.1 peak 679 ppm1 3.87 ppm2 8.16 volume 1.15e+07 { 679 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 680 ppm1 3.89 ppm2 4.21 volume 4.00e+07 { 680 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 681 ppm1 3.88 ppm2 8.67 volume 4.81e+07 { 681 } assi (((resi 26 and name HA)) and bondedto ((resi 26 and name CA))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 682 ppm1 3.88 ppm2 2.15 volume 9.54e+06 { 682 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 24 and name HE3)) 6.0 0.1 0.1 peak 683 ppm1 1.29 ppm2 6.68 volume 4.62e+06 { 683 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 24 and name HE3)) 6.0 0.1 0.1 peak 684 ppm1 0.21 ppm2 6.68 volume 3.92e+06 { 684 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 685 ppm1 1.29 ppm2 3.87 volume 7.26e+06 { 685 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 686 ppm1 0.20 ppm2 3.88 volume 9.85e+06 { 686 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HB1)) 6.0 0.1 0.1 peak 687 ppm1 0.20 ppm2 1.28 volume 3.59e+07 { 687 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 688 ppm1 1.29 ppm2 0.19 volume 2.95e+07 { 688 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HD1)) 6.0 0.1 0.1 peak 689 ppm1 1.28 ppm2 1.57 volume 3.76e+06 { 689 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HD1)) 6.0 0.1 0.1 peak 690 ppm1 0.19 ppm2 1.57 volume 6.18e+06 { 690 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 691 ppm1 1.28 ppm2 1.75 volume 8.41e+06 { 691 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 692 ppm1 0.20 ppm2 1.75 volume 7.61e+06 { 692 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HN)) 6.0 0.1 0.1 peak 693 ppm1 1.28 ppm2 8.15 volume 5.01e+06 { 693 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 26 and name HN)) 6.0 0.1 0.1 peak 694 ppm1 0.20 ppm2 8.15 volume 6.69e+06 { 694 } assi (((resi 26 and name HB1)) and bondedto ((resi 26 and name CB))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 695 ppm1 1.30 ppm2 8.67 volume 3.90e+06 { 695 } assi (((resi 26 and name HB2)) and bondedto ((resi 26 and name CB))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 696 ppm1 0.21 ppm2 8.66 volume 3.86e+06 { 696 } assi (((resi 26 and name HD1)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 697 ppm1 1.57 ppm2 3.88 volume 1.79e+07 { 697 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 698 ppm1 1.10 ppm2 3.88 volume 1.37e+07 { 698 } assi (((resi 26 and name HD1)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 699 ppm1 1.57 ppm2 0.19 volume 6.96e+06 { 699 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 700 ppm1 1.09 ppm2 0.20 volume 9.00e+06 { 700 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HD1)) 6.0 0.1 0.1 peak 701 ppm1 1.09 ppm2 1.57 volume 4.48e+08 { 701 } assi (((resi 26 and name HD1)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HD2)) 6.0 0.1 0.1 peak 702 ppm1 1.57 ppm2 1.09 volume 4.05e+08 { 702 } assi (((resi 26 and name HD1)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HE1)) 6.0 0.1 0.1 peak 703 ppm1 1.57 ppm2 2.53 volume 9.45e+06 { 703 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HE1)) 6.0 0.1 0.1 peak 704 ppm1 1.09 ppm2 2.54 volume 1.19e+07 { 704 } assi (((resi 26 and name HD1)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HE2)) 6.0 0.1 0.1 peak 705 ppm1 1.57 ppm2 2.36 volume 8.10e+07 { 705 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HE2)) 6.0 0.1 0.1 peak 706 ppm1 1.09 ppm2 2.37 volume 7.12e+07 { 706 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 707 ppm1 1.09 ppm2 1.75 volume 1.42e+08 { 707 } assi (((resi 26 and name HD1)) and bondedto ((resi 26 and name CD))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 708 ppm1 1.57 ppm2 8.67 volume 1.04e+07 { 708 } assi (((resi 26 and name HD2)) and bondedto ((resi 26 and name CD))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 709 ppm1 1.09 ppm2 8.66 volume 6.50e+06 { 709 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 710 ppm1 2.54 ppm2 3.88 volume 1.31e+07 { 710 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 711 ppm1 2.37 ppm2 3.88 volume 4.81e+06 { 711 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HD1)) 6.0 0.1 0.1 peak 712 ppm1 2.54 ppm2 1.57 volume 1.61e+07 { 712 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HD1)) 6.0 0.1 0.1 peak 713 ppm1 2.37 ppm2 1.57 volume 1.46e+07 { 713 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HD2)) 6.0 0.1 0.1 peak 714 ppm1 2.54 ppm2 1.09 volume 2.02e+07 { 714 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HD2)) 6.0 0.1 0.1 peak 715 ppm1 2.37 ppm2 1.09 volume 1.58e+07 { 715 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HE1)) 6.0 0.1 0.1 peak 716 ppm1 2.37 ppm2 2.54 volume 8.81e+08 { 716 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HE2)) 6.0 0.1 0.1 peak 717 ppm1 2.54 ppm2 2.37 volume 8.63e+08 { 717 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 718 ppm1 2.54 ppm2 1.75 volume 1.10e+07 { 718 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 719 ppm1 2.37 ppm2 1.75 volume 1.12e+07 { 719 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HG2)) 6.0 0.1 0.1 peak 720 ppm1 2.54 ppm2 1.21 volume 1.31e+07 { 720 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 26 and name HG2)) 6.0 0.1 0.1 peak 721 ppm1 2.37 ppm2 1.23 volume 1.26e+07 { 721 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 722 ppm1 2.54 ppm2 8.68 volume 2.95e+06 { 722 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 723 ppm1 2.38 ppm2 8.67 volume 2.18e+06 { 723 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 31 and name HD#)) 6.0 0.1 0.1 peak 724 ppm1 2.54 ppm2 7.12 volume 5.23e+06 { 724 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 31 and name HD#)) 6.0 0.1 0.1 peak 725 ppm1 2.38 ppm2 7.12 volume 3.54e+06 { 725 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 31 and name HE#)) 6.0 0.1 0.1 peak 726 ppm1 2.54 ppm2 6.82 volume 4.90e+06 { 726 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 31 and name HE#)) 6.0 0.1 0.1 peak 727 ppm1 2.38 ppm2 6.82 volume 6.07e+06 { 727 } assi (((resi 26 and name HE1)) and bondedto ((resi 26 and name CE))) ((resi 31 and name HZ)) 6.0 0.1 0.1 peak 728 ppm1 2.54 ppm2 6.70 volume 6.18e+06 { 728 } assi (((resi 26 and name HE2)) and bondedto ((resi 26 and name CE))) ((resi 31 and name HZ)) 6.0 0.1 0.1 peak 729 ppm1 2.38 ppm2 6.71 volume 3.77e+06 { 729 } assi (((resi 26 and name HG1)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 730 ppm1 1.76 ppm2 3.88 volume 6.68e+07 { 730 } assi (((resi 26 and name HG2)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 731 ppm1 1.20 ppm2 3.88 volume 4.84e+06 { 731 } assi (((resi 26 and name HG1)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 732 ppm1 1.75 ppm2 0.19 volume 8.05e+06 { 732 } assi (((resi 26 and name HG2)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 733 ppm1 1.23 ppm2 0.19 volume 7.08e+06 { 733 } assi (((resi 26 and name HG1)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HE2)) 6.0 0.1 0.1 peak 734 ppm1 1.75 ppm2 2.37 volume 4.76e+07 { 734 } assi (((resi 26 and name HG2)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HE2)) 6.0 0.1 0.1 peak 735 ppm1 1.21 ppm2 2.36 volume 2.72e+07 { 735 } assi (((resi 26 and name HG1)) and bondedto ((resi 26 and name CG))) ((resi 26 and name HG2)) 6.0 0.1 0.1 peak 736 ppm1 1.75 ppm2 1.20 volume 3.72e+08 { 736 } assi (((resi 26 and name HG1)) and bondedto ((resi 26 and name CG))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 737 ppm1 1.76 ppm2 8.67 volume 6.54e+06 { 737 } assi (((resi 27 and name HA)) and bondedto ((resi 27 and name CA))) ((resi 27 and name HB#)) 6.0 0.1 0.1 peak 738 ppm1 4.21 ppm2 2.15 volume 7.14e+08 { 738 } assi (((resi 27 and name HA)) and bondedto ((resi 27 and name CA))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 739 ppm1 4.21 ppm2 8.67 volume 1.70e+07 { 739 } assi (((resi 27 and name HA)) and bondedto ((resi 27 and name CA))) ((resi 28 and name HB)) 6.0 0.1 0.1 peak 740 ppm1 4.21 ppm2 1.95 volume 1.89e+08 { 740 } assi (((resi 27 and name HA)) and bondedto ((resi 27 and name CA))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 741 ppm1 4.21 ppm2 8.05 volume 4.09e+07 { 741 } assi (((resi 27 and name HA)) and bondedto ((resi 27 and name CA))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 742 ppm1 4.21 ppm2 1.34 volume 3.28e+08 { 742 } assi (((resi 27 and name HA)) and bondedto ((resi 27 and name CA))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 743 ppm1 4.22 ppm2 8.41 volume 6.54e+06 { 743 } assi (((resi 27 and name HB#)) and bondedto ((resi 27 and name CB))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 744 ppm1 2.14 ppm2 8.66 volume 1.90e+07 { 744 } assi (((resi 27 and name HB#)) and bondedto ((resi 27 and name CB))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 745 ppm1 2.14 ppm2 8.04 volume 4.82e+07 { 745 } assi (((resi 27 and name HG1)) and bondedto ((resi 27 and name CG))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 746 ppm1 2.40 ppm2 3.88 volume 3.91e+06 { 746 } assi (((resi 27 and name HG2)) and bondedto ((resi 27 and name CG))) ((resi 26 and name HA)) 6.0 0.1 0.1 peak 747 ppm1 2.20 ppm2 3.89 volume 2.09e+07 { 747 } assi (((resi 27 and name HG1)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 748 ppm1 2.41 ppm2 4.22 volume 1.56e+07 { 748 } assi (((resi 27 and name HG2)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 749 ppm1 2.19 ppm2 4.22 volume 8.95e+07 { 749 } assi (((resi 27 and name HG2)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 750 ppm1 2.19 ppm2 4.22 volume 9.82e+07 { 750 } assi (((resi 27 and name HG1)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HB#)) 6.0 0.1 0.1 peak 751 ppm1 2.42 ppm2 2.16 volume 1.48e+09 { 751 } assi (((resi 27 and name HG2)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HG1)) 6.0 0.1 0.1 peak 752 ppm1 2.20 ppm2 2.41 volume 8.96e+08 { 752 } assi (((resi 27 and name HG1)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 753 ppm1 2.40 ppm2 8.67 volume 1.24e+07 { 753 } assi (((resi 27 and name HG2)) and bondedto ((resi 27 and name CG))) ((resi 27 and name HN)) 6.0 0.1 0.1 peak 754 ppm1 2.19 ppm2 8.67 volume 1.12e+07 { 754 } assi (((resi 27 and name HG1)) and bondedto ((resi 27 and name CG))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 755 ppm1 2.40 ppm2 8.07 volume 9.49e+06 { 755 } assi (((resi 27 and name HG2)) and bondedto ((resi 27 and name CG))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 756 ppm1 2.19 ppm2 8.06 volume 1.01e+07 { 756 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 26 and name HE1)) 6.0 0.1 0.1 peak 757 ppm1 3.67 ppm2 2.56 volume 2.19e+07 { 757 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 28 and name HB)) 6.0 0.1 0.1 peak 758 ppm1 3.66 ppm2 1.97 volume 1.34e+07 { 758 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 28 and name HG1#)) 6.0 0.1 0.1 peak 759 ppm1 3.66 ppm2 1.10 volume 3.46e+07 { 759 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 760 ppm1 3.67 ppm2 0.94 volume 5.96e+07 { 760 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 761 ppm1 3.66 ppm2 8.06 volume 1.11e+07 { 761 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 29 and name HN)) 6.0 0.1 0.1 peak 762 ppm1 3.67 ppm2 7.85 volume 3.74e+07 { 762 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 763 ppm1 3.67 ppm2 9.29 volume 3.20e+07 { 763 } assi (((resi 28 and name HA)) and bondedto ((resi 28 and name CA))) ((resi 82 and name HG1#)) 6.0 0.1 0.1 peak 764 ppm1 3.67 ppm2 1.39 volume 9.63e+06 { 764 } assi (((resi 28 and name HB)) and bondedto ((resi 28 and name CB))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 765 ppm1 1.96 ppm2 4.22 volume 4.57e+07 { 765 } assi (((resi 28 and name HB)) and bondedto ((resi 28 and name CB))) ((resi 28 and name HA)) 6.0 0.1 0.1 peak 766 ppm1 1.97 ppm2 3.67 volume 1.18e+08 { 766 } assi (((resi 28 and name HB)) and bondedto ((resi 28 and name CB))) ((resi 28 and name HG1#)) 6.0 0.1 0.1 peak 767 ppm1 1.97 ppm2 1.10 volume 5.24e+08 { 767 } assi (((resi 28 and name HB)) and bondedto ((resi 28 and name CB))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 768 ppm1 1.97 ppm2 0.92 volume 5.18e+08 { 768 } assi (((resi 28 and name HB)) and bondedto ((resi 28 and name CB))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 769 ppm1 1.96 ppm2 8.06 volume 3.59e+07 { 769 } assi (((resi 28 and name HG1#)) and bondedto ((resi 28 and name CG1))) ((resi 28 and name HA)) 6.0 0.1 0.1 peak 770 ppm1 1.10 ppm2 3.67 volume 5.82e+07 { 770 } assi (((resi 28 and name HG1#)) and bondedto ((resi 28 and name CG1))) ((resi 28 and name HB)) 6.0 0.1 0.1 peak 771 ppm1 1.10 ppm2 1.96 volume 6.92e+08 { 771 } assi (((resi 28 and name HG1#)) and bondedto ((resi 28 and name CG1))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 772 ppm1 1.11 ppm2 8.06 volume 3.44e+07 { 772 } assi (((resi 28 and name HG1#)) and bondedto ((resi 28 and name CG1))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 773 ppm1 1.11 ppm2 4.41 volume 1.90e+07 { 773 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 774 ppm1 0.93 ppm2 4.21 volume 1.67e+07 { 774 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 27 and name HB#)) 6.0 0.1 0.1 peak 775 ppm1 0.92 ppm2 2.17 volume 3.13e+08 { 775 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 28 and name HA)) 6.0 0.1 0.1 peak 776 ppm1 0.93 ppm2 3.69 volume 1.25e+08 { 776 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 28 and name HB)) 6.0 0.1 0.1 peak 777 ppm1 0.93 ppm2 1.97 volume 7.31e+08 { 777 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 28 and name HG1#)) 6.0 0.1 0.1 peak 778 ppm1 0.93 ppm2 1.09 volume 1.22e+09 { 778 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 779 ppm1 0.93 ppm2 8.06 volume 8.38e+07 { 779 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 29 and name HN)) 6.0 0.1 0.1 peak 780 ppm1 0.93 ppm2 7.84 volume 1.76e+07 { 780 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 78 and name HB)) 6.0 0.1 0.1 peak 781 ppm1 0.93 ppm2 2.55 volume 5.40e+07 { 781 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 782 ppm1 0.93 ppm2 4.42 volume 1.52e+07 { 782 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 783 ppm1 0.93 ppm2 4.65 volume 4.42e+07 { 783 } assi (((resi 28 and name HG2#)) and bondedto ((resi 28 and name CG2))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 784 ppm1 0.92 ppm2 4.11 volume 1.90e+07 { 784 } assi (((resi 29 and name HB1)) and bondedto ((resi 29 and name CB))) ((resi 27 and name HB#)) 6.0 0.1 0.1 peak 785 ppm1 4.50 ppm2 2.17 volume 6.96e+06 { 785 } assi (((resi 29 and name HB2)) and bondedto ((resi 29 and name CB))) ((resi 27 and name HG2)) 6.0 0.1 0.1 peak 786 ppm1 3.89 ppm2 2.19 volume 4.89e+06 { 786 } assi (((resi 29 and name HB1)) and bondedto ((resi 29 and name CB))) ((resi 29 and name HA)) 6.0 0.1 0.1 peak 787 ppm1 4.50 ppm2 4.72 volume 5.03e+08 { 787 } assi (((resi 29 and name HB2)) and bondedto ((resi 29 and name CB))) ((resi 29 and name HA)) 6.0 0.1 0.1 peak 788 ppm1 3.90 ppm2 4.72 volume 7.16e+08 { 788 } assi (((resi 29 and name HB2)) and bondedto ((resi 29 and name CB))) ((resi 29 and name HB1)) 6.0 0.1 0.1 peak 789 ppm1 3.91 ppm2 4.47 volume 8.87e+08 { 789 } assi (((resi 29 and name HB1)) and bondedto ((resi 29 and name CB))) ((resi 30 and name HN)) 6.0 0.1 0.1 peak 790 ppm1 4.50 ppm2 8.57 volume 8.50e+06 { 790 } assi (((resi 29 and name HB2)) and bondedto ((resi 29 and name CB))) ((resi 30 and name HN)) 6.0 0.1 0.1 peak 791 ppm1 3.90 ppm2 8.57 volume 8.85e+06 { 791 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 30 and name HB#)) 6.0 0.1 0.1 peak 792 ppm1 5.72 ppm2 2.06 volume 3.02e+07 { 792 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 30 and name HG1)) 6.0 0.1 0.1 peak 793 ppm1 5.72 ppm2 2.31 volume 1.23e+07 { 793 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 794 ppm1 5.72 ppm2 8.70 volume 5.53e+07 { 794 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 75 and name HG#)) 6.0 0.1 0.1 peak 795 ppm1 5.73 ppm2 1.57 volume 6.35e+06 { 795 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 796 ppm1 5.72 ppm2 4.85 volume 3.04e+07 { 796 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 797 ppm1 5.72 ppm2 1.39 volume 5.85e+06 { 797 } assi (((resi 30 and name HA)) and bondedto ((resi 30 and name CA))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 798 ppm1 5.72 ppm2 9.29 volume 1.43e+07 { 798 } assi (((resi 30 and name HB#)) and bondedto ((resi 30 and name CB))) ((resi 30 and name HA)) 6.0 0.1 0.1 peak 799 ppm1 2.06 ppm2 5.72 volume 1.68e+07 { 799 } assi (((resi 30 and name HB#)) and bondedto ((resi 30 and name CB))) ((resi 30 and name HG1)) 6.0 0.1 0.1 peak 800 ppm1 2.06 ppm2 2.32 volume 3.94e+08 { 800 } assi (((resi 30 and name HB#)) and bondedto ((resi 30 and name CB))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 801 ppm1 2.07 ppm2 8.70 volume 8.37e+06 { 801 } assi (((resi 30 and name HB#)) and bondedto ((resi 30 and name CB))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 802 ppm1 2.07 ppm2 4.84 volume 8.86e+07 { 802 } assi (((resi 30 and name HG1)) and bondedto ((resi 30 and name CG))) ((resi 30 and name HA)) 6.0 0.1 0.1 peak 803 ppm1 2.32 ppm2 5.71 volume 6.97e+07 { 803 } assi (((resi 30 and name HG2)) and bondedto ((resi 30 and name CG))) ((resi 30 and name HA)) 6.0 0.1 0.1 peak 804 ppm1 2.21 ppm2 5.71 volume 6.82e+07 { 804 } assi (((resi 30 and name HG1)) and bondedto ((resi 30 and name CG))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 805 ppm1 2.33 ppm2 8.69 volume 3.31e+07 { 805 } assi (((resi 30 and name HG2)) and bondedto ((resi 30 and name CG))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 806 ppm1 2.21 ppm2 8.69 volume 2.89e+07 { 806 } assi (((resi 30 and name HG1)) and bondedto ((resi 30 and name CG))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 807 ppm1 2.33 ppm2 4.86 volume 5.59e+07 { 807 } assi (((resi 31 and name HA)) and bondedto ((resi 31 and name CA))) ((resi 31 and name HB1)) 6.0 0.1 0.1 peak 808 ppm1 5.06 ppm2 3.25 volume 2.99e+08 { 808 } assi (((resi 31 and name HA)) and bondedto ((resi 31 and name CA))) ((resi 31 and name HB2)) 6.0 0.1 0.1 peak 809 ppm1 5.06 ppm2 3.49 volume 3.07e+08 { 809 } assi (((resi 31 and name HA)) and bondedto ((resi 31 and name CA))) ((resi 31 and name HD#)) 6.0 0.1 0.1 peak 810 ppm1 5.06 ppm2 7.12 volume 9.90e+06 { 810 } assi (((resi 31 and name HA)) and bondedto ((resi 31 and name CA))) ((resi 32 and name HB1)) 6.0 0.1 0.1 peak 811 ppm1 5.05 ppm2 2.61 volume 3.03e+07 { 811 } assi (((resi 31 and name HA)) and bondedto ((resi 31 and name CA))) ((resi 32 and name HN)) 6.0 0.1 0.1 peak 812 ppm1 5.06 ppm2 8.79 volume 5.59e+07 { 812 } assi (((resi 31 and name HB1)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HA)) 6.0 0.1 0.1 peak 813 ppm1 3.26 ppm2 5.06 volume 1.93e+07 { 813 } assi (((resi 31 and name HB2)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HA)) 6.0 0.1 0.1 peak 814 ppm1 3.49 ppm2 5.06 volume 1.89e+07 { 814 } assi (((resi 31 and name HB2)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HB1)) 6.0 0.1 0.1 peak 815 ppm1 3.49 ppm2 3.26 volume 3.23e+08 { 815 } assi (((resi 31 and name HB1)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HB2)) 6.0 0.1 0.1 peak 816 ppm1 3.26 ppm2 3.48 volume 3.12e+08 { 816 } assi (((resi 31 and name HB1)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HD#)) 6.0 0.1 0.1 peak 817 ppm1 3.26 ppm2 7.12 volume 1.51e+07 { 817 } assi (((resi 31 and name HB2)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HD#)) 6.0 0.1 0.1 peak 818 ppm1 3.49 ppm2 7.13 volume 1.90e+07 { 818 } assi (((resi 31 and name HB1)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HE#)) 6.0 0.1 0.1 peak 819 ppm1 3.26 ppm2 6.83 volume 4.49e+06 { 819 } assi (((resi 31 and name HB2)) and bondedto ((resi 31 and name CB))) ((resi 31 and name HE#)) 6.0 0.1 0.1 peak 820 ppm1 3.50 ppm2 6.82 volume 3.44e+06 { 820 } assi (((resi 31 and name HB1)) and bondedto ((resi 31 and name CB))) ((resi 32 and name HN)) 6.0 0.1 0.1 peak 821 ppm1 3.26 ppm2 8.79 volume 1.22e+07 { 821 } assi (((resi 31 and name HB2)) and bondedto ((resi 31 and name CB))) ((resi 32 and name HN)) 6.0 0.1 0.1 peak 822 ppm1 3.47 ppm2 8.79 volume 1.37e+07 { 822 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 32 and name HB1)) 6.0 0.1 0.1 peak 823 ppm1 5.44 ppm2 2.62 volume 2.01e+07 { 823 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 32 and name HB2)) 6.0 0.1 0.1 peak 824 ppm1 5.43 ppm2 2.79 volume 2.39e+07 { 824 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 32 and name HN)) 6.0 0.1 0.1 peak 825 ppm1 5.44 ppm2 8.79 volume 1.00e+07 { 825 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 826 ppm1 5.43 ppm2 9.38 volume 5.65e+07 { 826 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 75 and name HA)) 6.0 0.1 0.1 peak 827 ppm1 5.43 ppm2 5.22 volume 3.23e+08 { 827 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 75 and name HB1)) 6.0 0.1 0.1 peak 828 ppm1 5.44 ppm2 1.79 volume 8.10e+06 { 828 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 75 and name HD#)) 6.0 0.1 0.1 peak 829 ppm1 5.43 ppm2 3.21 volume 7.08e+06 { 829 } assi (((resi 32 and name HA)) and bondedto ((resi 32 and name CA))) ((resi 75 and name HG#)) 6.0 0.1 0.1 peak 830 ppm1 5.43 ppm2 1.53 volume 1.05e+08 { 830 } assi (((resi 32 and name HB1)) and bondedto ((resi 32 and name CB))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 831 ppm1 2.62 ppm2 5.43 volume 1.59e+07 { 831 } assi (((resi 32 and name HB2)) and bondedto ((resi 32 and name CB))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 832 ppm1 2.80 ppm2 5.44 volume 1.61e+07 { 832 } assi (((resi 32 and name HB2)) and bondedto ((resi 32 and name CB))) ((resi 32 and name HB1)) 6.0 0.1 0.1 peak 833 ppm1 2.80 ppm2 2.62 volume 8.84e+08 { 833 } assi (((resi 32 and name HB1)) and bondedto ((resi 32 and name CB))) ((resi 32 and name HB2)) 6.0 0.1 0.1 peak 834 ppm1 2.62 ppm2 2.80 volume 9.15e+08 { 834 } assi (((resi 32 and name HB1)) and bondedto ((resi 32 and name CB))) ((resi 32 and name HN)) 6.0 0.1 0.1 peak 835 ppm1 2.63 ppm2 8.79 volume 1.96e+07 { 835 } assi (((resi 32 and name HB2)) and bondedto ((resi 32 and name CB))) ((resi 32 and name HN)) 6.0 0.1 0.1 peak 836 ppm1 2.79 ppm2 8.79 volume 1.52e+07 { 836 } assi (((resi 32 and name HB1)) and bondedto ((resi 32 and name CB))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 837 ppm1 2.63 ppm2 9.38 volume 1.05e+07 { 837 } assi (((resi 32 and name HB2)) and bondedto ((resi 32 and name CB))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 838 ppm1 2.80 ppm2 9.38 volume 1.14e+07 { 838 } assi (((resi 33 and name HA)) and bondedto ((resi 33 and name CA))) ((resi 33 and name HB#)) 6.0 0.1 0.1 peak 839 ppm1 4.50 ppm2 2.64 volume 3.26e+07 { 839 } assi (((resi 33 and name HA)) and bondedto ((resi 33 and name CA))) ((resi 33 and name HD1)) 6.0 0.1 0.1 peak 840 ppm1 4.50 ppm2 7.44 volume 1.29e+07 { 840 } assi (((resi 33 and name HA)) and bondedto ((resi 33 and name CA))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 841 ppm1 4.50 ppm2 9.38 volume 1.40e+07 { 841 } assi (((resi 33 and name HA)) and bondedto ((resi 33 and name CA))) ((resi 34 and name HN)) 6.0 0.1 0.1 peak 842 ppm1 4.50 ppm2 7.01 volume 5.78e+07 { 842 } assi (((resi 33 and name HB#)) and bondedto ((resi 33 and name CB))) ((resi 33 and name HA)) 6.0 0.1 0.1 peak 843 ppm1 2.65 ppm2 4.50 volume 1.52e+07 { 843 } assi (((resi 33 and name HB#)) and bondedto ((resi 33 and name CB))) ((resi 33 and name HD1)) 6.0 0.1 0.1 peak 844 ppm1 2.65 ppm2 7.44 volume 5.94e+06 { 844 } assi (((resi 33 and name HB#)) and bondedto ((resi 33 and name CB))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 845 ppm1 2.65 ppm2 9.38 volume 1.18e+07 { 845 } assi (((resi 33 and name HB#)) and bondedto ((resi 33 and name CB))) ((resi 76 and name HB2)) 6.0 0.1 0.1 peak 846 ppm1 2.65 ppm2 1.82 volume 6.50e+06 { 846 } assi (((resi 33 and name HB#)) and bondedto ((resi 33 and name CB))) ((resi 76 and name HD1)) 6.0 0.1 0.1 peak 847 ppm1 2.65 ppm2 7.09 volume 1.24e+07 { 847 } assi (((resi 33 and name HB#)) and bondedto ((resi 33 and name CB))) ((resi 76 and name HZ2)) 6.0 0.1 0.1 peak 848 ppm1 2.65 ppm2 6.83 volume 5.94e+06 { 848 } assi (((resi 34 and name HA)) and bondedto ((resi 34 and name CA))) ((resi 34 and name HB1)) 6.0 0.1 0.1 peak 849 ppm1 5.25 ppm2 2.80 volume 2.40e+08 { 849 } assi (((resi 34 and name HA)) and bondedto ((resi 34 and name CA))) ((resi 34 and name HB2)) 6.0 0.1 0.1 peak 850 ppm1 5.26 ppm2 2.46 volume 8.65e+06 { 850 } assi (((resi 34 and name HA)) and bondedto ((resi 34 and name CA))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 851 ppm1 5.25 ppm2 6.81 volume 1.95e+07 { 851 } assi (((resi 34 and name HA)) and bondedto ((resi 34 and name CA))) ((resi 34 and name HN)) 6.0 0.1 0.1 peak 852 ppm1 5.25 ppm2 7.00 volume 6.80e+06 { 852 } assi (((resi 34 and name HA)) and bondedto ((resi 34 and name CA))) ((resi 35 and name HN)) 6.0 0.1 0.1 peak 853 ppm1 5.24 ppm2 7.99 volume 2.51e+07 { 853 } assi (((resi 34 and name HA)) and bondedto ((resi 34 and name CA))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 854 ppm1 5.23 ppm2 9.09 volume 1.49e+08 { 854 } assi (((resi 34 and name HB1)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HA)) 6.0 0.1 0.1 peak 855 ppm1 2.81 ppm2 5.26 volume 1.06e+07 { 855 } assi (((resi 34 and name HB2)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HA)) 6.0 0.1 0.1 peak 856 ppm1 2.46 ppm2 5.26 volume 7.64e+06 { 856 } assi (((resi 34 and name HB2)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HB1)) 6.0 0.1 0.1 peak 857 ppm1 2.48 ppm2 2.80 volume 3.54e+08 { 857 } assi (((resi 34 and name HB1)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HB2)) 6.0 0.1 0.1 peak 858 ppm1 2.81 ppm2 2.47 volume 3.61e+08 { 858 } assi (((resi 34 and name HB1)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 859 ppm1 2.81 ppm2 6.81 volume 1.61e+07 { 859 } assi (((resi 34 and name HB2)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 860 ppm1 2.47 ppm2 6.81 volume 1.75e+07 { 860 } assi (((resi 34 and name HB1)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HN)) 6.0 0.1 0.1 peak 861 ppm1 2.80 ppm2 7.00 volume 8.83e+06 { 861 } assi (((resi 34 and name HB2)) and bondedto ((resi 34 and name CB))) ((resi 34 and name HN)) 6.0 0.1 0.1 peak 862 ppm1 2.48 ppm2 6.99 volume 9.84e+06 { 862 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 35 and name HB1)) 6.0 0.1 0.1 peak 863 ppm1 4.12 ppm2 3.29 volume 1.19e+07 { 863 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 35 and name HB2)) 6.0 0.1 0.1 peak 864 ppm1 4.12 ppm2 2.78 volume 1.10e+07 { 864 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 35 and name HD#)) 6.0 0.1 0.1 peak 865 ppm1 4.12 ppm2 7.13 volume 1.02e+07 { 865 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 35 and name HN)) 6.0 0.1 0.1 peak 866 ppm1 4.12 ppm2 7.99 volume 1.04e+07 { 866 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 36 and name HN)) 6.0 0.1 0.1 peak 867 ppm1 4.12 ppm2 8.16 volume 1.95e+07 { 867 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 37 and name HN)) 6.0 0.1 0.1 peak 868 ppm1 4.12 ppm2 7.78 volume 9.62e+06 { 868 } assi (((resi 35 and name HA)) and bondedto ((resi 35 and name CA))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 869 ppm1 4.12 ppm2 9.37 volume 7.20e+06 { 869 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HA)) 6.0 0.1 0.1 peak 870 ppm1 3.28 ppm2 4.12 volume 6.48e+06 { 870 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HA)) 6.0 0.1 0.1 peak 871 ppm1 2.78 ppm2 4.11 volume 4.36e+06 { 871 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HB1)) 6.0 0.1 0.1 peak 872 ppm1 2.78 ppm2 3.29 volume 1.45e+07 { 872 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HB2)) 6.0 0.1 0.1 peak 873 ppm1 3.29 ppm2 2.78 volume 1.55e+07 { 873 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HD#)) 6.0 0.1 0.1 peak 874 ppm1 3.28 ppm2 7.15 volume 9.59e+06 { 874 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HD#)) 6.0 0.1 0.1 peak 875 ppm1 2.78 ppm2 7.15 volume 7.32e+06 { 875 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HN)) 6.0 0.1 0.1 peak 876 ppm1 3.28 ppm2 7.99 volume 7.10e+06 { 876 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 35 and name HN)) 6.0 0.1 0.1 peak 877 ppm1 2.79 ppm2 7.99 volume 5.22e+06 { 877 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 878 ppm1 3.29 ppm2 3.46 volume 6.44e+06 { 878 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 879 ppm1 2.78 ppm2 3.47 volume 4.14e+06 { 879 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 880 ppm1 3.28 ppm2 9.37 volume 7.00e+06 { 880 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 881 ppm1 2.77 ppm2 9.37 volume 7.85e+06 { 881 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 72 and name HB1)) 6.0 0.1 0.1 peak 882 ppm1 3.28 ppm2 2.21 volume 1.13e+07 { 882 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 72 and name HB1)) 6.0 0.1 0.1 peak 883 ppm1 2.78 ppm2 2.20 volume 2.05e+07 { 883 } assi (((resi 35 and name HB1)) and bondedto ((resi 35 and name CB))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 884 ppm1 3.29 ppm2 7.69 volume 6.11e+06 { 884 } assi (((resi 35 and name HB2)) and bondedto ((resi 35 and name CB))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 885 ppm1 2.77 ppm2 7.70 volume 5.49e+06 { 885 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 886 ppm1 4.28 ppm2 6.82 volume 7.28e+06 { 886 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 34 and name HE#)) 6.0 0.1 0.1 peak 887 ppm1 4.28 ppm2 6.66 volume 1.33e+07 { 887 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 36 and name HB1)) 6.0 0.1 0.1 peak 888 ppm1 4.28 ppm2 2.70 volume 2.80e+07 { 888 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 36 and name HB2)) 6.0 0.1 0.1 peak 889 ppm1 4.28 ppm2 2.54 volume 2.70e+07 { 889 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 36 and name HN)) 6.0 0.1 0.1 peak 890 ppm1 4.28 ppm2 8.16 volume 7.83e+06 { 890 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 891 ppm1 4.29 ppm2 1.08 volume 1.11e+07 { 891 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 71 and name HA2)) 6.0 0.1 0.1 peak 892 ppm1 4.27 ppm2 3.60 volume 1.16e+06 { 892 } assi (((resi 36 and name HA)) and bondedto ((resi 36 and name CA))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 893 ppm1 4.29 ppm2 9.37 volume 1.17e+06 { 893 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 894 ppm1 2.71 ppm2 6.82 volume 4.83e+07 { 894 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 895 ppm1 2.54 ppm2 6.81 volume 6.67e+07 { 895 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 34 and name HE#)) 6.0 0.1 0.1 peak 896 ppm1 2.70 ppm2 6.66 volume 7.14e+07 { 896 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 34 and name HE#)) 6.0 0.1 0.1 peak 897 ppm1 2.54 ppm2 6.65 volume 8.69e+07 { 897 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 36 and name HA)) 6.0 0.1 0.1 peak 898 ppm1 2.70 ppm2 4.29 volume 3.11e+08 { 898 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 36 and name HA)) 6.0 0.1 0.1 peak 899 ppm1 2.54 ppm2 4.28 volume 2.77e+08 { 899 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 36 and name HB1)) 6.0 0.1 0.1 peak 900 ppm1 2.54 ppm2 2.71 volume 1.40e+09 { 900 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 36 and name HB2)) 6.0 0.1 0.1 peak 901 ppm1 2.71 ppm2 2.54 volume 1.41e+09 { 901 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 36 and name HN)) 6.0 0.1 0.1 peak 902 ppm1 2.71 ppm2 8.16 volume 4.13e+07 { 902 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 36 and name HN)) 6.0 0.1 0.1 peak 903 ppm1 2.54 ppm2 8.16 volume 4.45e+07 { 903 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 37 and name HN)) 6.0 0.1 0.1 peak 904 ppm1 2.70 ppm2 7.78 volume 3.76e+07 { 904 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 37 and name HN)) 6.0 0.1 0.1 peak 905 ppm1 2.53 ppm2 7.78 volume 2.50e+07 { 905 } assi (((resi 36 and name HB1)) and bondedto ((resi 36 and name CB))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 906 ppm1 2.71 ppm2 1.10 volume 3.43e+07 { 906 } assi (((resi 36 and name HB2)) and bondedto ((resi 36 and name CB))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 907 ppm1 2.54 ppm2 1.11 volume 4.17e+07 { 907 } assi (((resi 37 and name HA)) and bondedto ((resi 37 and name CA))) ((resi 37 and name HG2#)) 6.0 0.1 0.1 peak 908 ppm1 4.28 ppm2 1.11 volume 4.33e+08 { 908 } assi (((resi 37 and name HA)) and bondedto ((resi 37 and name CA))) ((resi 37 and name HN)) 6.0 0.1 0.1 peak 909 ppm1 4.28 ppm2 7.80 volume 2.51e+08 { 909 } assi (((resi 37 and name HA)) and bondedto ((resi 37 and name CA))) ((resi 70 and name HB2)) 6.0 0.1 0.1 peak 910 ppm1 4.28 ppm2 1.36 volume 6.76e+07 { 910 } assi (((resi 37 and name HA)) and bondedto ((resi 37 and name CA))) ((resi 70 and name HD#)) 6.0 0.1 0.1 peak 911 ppm1 4.28 ppm2 1.59 volume 2.20e+08 { 911 } assi (((resi 37 and name HA)) and bondedto ((resi 37 and name CA))) ((resi 70 and name HE#)) 6.0 0.1 0.1 peak 912 ppm1 4.28 ppm2 2.98 volume 2.87e+07 { 912 } assi (((resi 37 and name HB)) and bondedto ((resi 37 and name CB))) ((resi 37 and name HG2#)) 6.0 0.1 0.1 peak 913 ppm1 4.18 ppm2 1.12 volume 3.84e+08 { 913 } assi (((resi 37 and name HB)) and bondedto ((resi 37 and name CB))) ((resi 38 and name HN)) 6.0 0.1 0.1 peak 914 ppm1 4.18 ppm2 7.81 volume 1.67e+08 { 914 } assi (((resi 37 and name HB)) and bondedto ((resi 37 and name CB))) ((resi 70 and name HD#)) 6.0 0.1 0.1 peak 915 ppm1 4.19 ppm2 1.59 volume 3.42e+07 { 915 } assi (((resi 37 and name HB)) and bondedto ((resi 37 and name CB))) ((resi 89 and name HN)) 6.0 0.1 0.1 peak 916 ppm1 4.19 ppm2 8.07 volume 3.14e+07 { 916 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 36 and name HB2)) 6.0 0.1 0.1 peak 917 ppm1 1.11 ppm2 2.55 volume 1.41e+07 { 917 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 918 ppm1 1.12 ppm2 4.28 volume 1.49e+08 { 918 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 37 and name HB)) 6.0 0.1 0.1 peak 919 ppm1 1.12 ppm2 4.19 volume 6.53e+07 { 919 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 38 and name HN)) 6.0 0.1 0.1 peak 920 ppm1 1.11 ppm2 7.82 volume 4.35e+07 { 920 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 88 and name HA)) 6.0 0.1 0.1 peak 921 ppm1 1.12 ppm2 5.23 volume 1.59e+07 { 921 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 88 and name HB1)) 6.0 0.1 0.1 peak 922 ppm1 1.12 ppm2 1.75 volume 1.77e+08 { 922 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 88 and name HB2)) 6.0 0.1 0.1 peak 923 ppm1 1.12 ppm2 1.58 volume 2.53e+08 { 923 } assi (((resi 37 and name HG2#)) and bondedto ((resi 37 and name CG2))) ((resi 88 and name HD1#)) 6.0 0.1 0.1 peak 924 ppm1 1.11 ppm2 0.94 volume 1.89e+09 { 924 } assi (((resi 38 and name HA)) and bondedto ((resi 38 and name CA))) ((resi 39 and name HN)) 6.0 0.1 0.1 peak 925 ppm1 4.86 ppm2 8.68 volume 2.75e+08 { 925 } assi (((resi 38 and name HA)) and bondedto ((resi 38 and name CA))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 926 ppm1 4.88 ppm2 7.62 volume 4.95e+07 { 926 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 38 and name HA)) 6.0 0.1 0.1 peak 927 ppm1 1.89 ppm2 4.86 volume 1.46e+07 { 927 } assi (((resi 38 and name HB2)) and bondedto ((resi 38 and name CB))) ((resi 38 and name HA)) 6.0 0.1 0.1 peak 928 ppm1 1.28 ppm2 4.87 volume 1.13e+07 { 928 } assi (((resi 38 and name HB2)) and bondedto ((resi 38 and name CB))) ((resi 38 and name HB1)) 6.0 0.1 0.1 peak 929 ppm1 1.29 ppm2 1.88 volume 4.11e+07 { 929 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 38 and name HB2)) 6.0 0.1 0.1 peak 930 ppm1 1.89 ppm2 1.28 volume 4.38e+07 { 930 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 38 and name HN)) 6.0 0.1 0.1 peak 931 ppm1 1.89 ppm2 7.82 volume 8.81e+06 { 931 } assi (((resi 38 and name HB2)) and bondedto ((resi 38 and name CB))) ((resi 38 and name HN)) 6.0 0.1 0.1 peak 932 ppm1 1.29 ppm2 7.82 volume 9.15e+06 { 932 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 39 and name HN)) 6.0 0.1 0.1 peak 933 ppm1 1.88 ppm2 8.69 volume 9.37e+06 { 933 } assi (((resi 38 and name HB2)) and bondedto ((resi 38 and name CB))) ((resi 39 and name HN)) 6.0 0.1 0.1 peak 934 ppm1 1.28 ppm2 8.69 volume 6.59e+06 { 934 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 935 ppm1 1.87 ppm2 7.63 volume 3.72e+06 { 935 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 89 and name HD#)) 6.0 0.1 0.1 peak 936 ppm1 1.89 ppm2 7.13 volume 7.55e+06 { 936 } assi (((resi 38 and name HB2)) and bondedto ((resi 38 and name CB))) ((resi 89 and name HD#)) 6.0 0.1 0.1 peak 937 ppm1 1.28 ppm2 7.12 volume 5.39e+06 { 937 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 89 and name HE#)) 6.0 0.1 0.1 peak 938 ppm1 1.86 ppm2 7.40 volume 3.51e+06 { 938 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 89 and name HE#)) 6.0 0.1 0.1 peak 939 ppm1 1.88 ppm2 7.39 volume 4.79e+06 { 939 } assi (((resi 38 and name HB2)) and bondedto ((resi 38 and name CB))) ((resi 89 and name HE#)) 6.0 0.1 0.1 peak 940 ppm1 1.28 ppm2 7.39 volume 3.06e+06 { 940 } assi (((resi 38 and name HB1)) and bondedto ((resi 38 and name CB))) ((resi 89 and name HN)) 6.0 0.1 0.1 peak 941 ppm1 1.89 ppm2 8.07 volume 2.58e+06 { 941 } assi (((resi 39 and name HA)) and bondedto ((resi 39 and name CA))) ((resi 40 and name HN)) 6.0 0.1 0.1 peak 942 ppm1 5.29 ppm2 8.94 volume 1.94e+08 { 942 } assi (((resi 39 and name HA)) and bondedto ((resi 39 and name CA))) ((resi 88 and name HD1#)) 6.0 0.1 0.1 peak 943 ppm1 5.29 ppm2 0.94 volume 1.24e+07 { 943 } assi (((resi 39 and name HA)) and bondedto ((resi 39 and name CA))) ((resi 89 and name HD#)) 6.0 0.1 0.1 peak 944 ppm1 5.30 ppm2 7.12 volume 4.70e+06 { 944 } assi (((resi 39 and name HB#)) and bondedto ((resi 39 and name CB))) ((resi 39 and name HA)) 6.0 0.1 0.1 peak 945 ppm1 2.11 ppm2 5.27 volume 3.18e+07 { 945 } assi (((resi 39 and name HB#)) and bondedto ((resi 39 and name CB))) ((resi 88 and name HD1#)) 6.0 0.1 0.1 peak 946 ppm1 2.09 ppm2 0.94 volume 4.87e+07 { 946 } assi (((resi 40 and name HA)) and bondedto ((resi 40 and name CA))) ((resi 39 and name HG2)) 6.0 0.1 0.1 peak 947 ppm1 6.01 ppm2 1.99 volume 3.83e+06 { 947 } assi (((resi 40 and name HA)) and bondedto ((resi 40 and name CA))) ((resi 40 and name HG2#)) 6.0 0.1 0.1 peak 948 ppm1 6.01 ppm2 1.45 volume 1.84e+07 { 948 } assi (((resi 40 and name HA)) and bondedto ((resi 40 and name CA))) ((resi 41 and name HN)) 6.0 0.1 0.1 peak 949 ppm1 6.02 ppm2 10.34 volume 3.31e+07 { 949 } assi (((resi 40 and name HA)) and bondedto ((resi 40 and name CA))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 950 ppm1 6.03 ppm2 9.72 volume 9.79e+06 { 950 } assi (((resi 40 and name HA)) and bondedto ((resi 40 and name CA))) ((resi 67 and name HA)) 6.0 0.1 0.1 peak 951 ppm1 6.01 ppm2 5.45 volume 1.79e+07 { 951 } assi (((resi 40 and name HA)) and bondedto ((resi 40 and name CA))) ((resi 67 and name HG2#)) 6.0 0.1 0.1 peak 952 ppm1 6.01 ppm2 1.15 volume 8.17e+06 { 952 } assi (((resi 40 and name HB)) and bondedto ((resi 40 and name CB))) ((resi 40 and name HA)) 6.0 0.1 0.1 peak 953 ppm1 3.86 ppm2 6.02 volume 5.65e+06 { 953 } assi (((resi 40 and name HB)) and bondedto ((resi 40 and name CB))) ((resi 40 and name HG2#)) 6.0 0.1 0.1 peak 954 ppm1 3.86 ppm2 1.45 volume 5.07e+07 { 954 } assi (((resi 40 and name HB)) and bondedto ((resi 40 and name CB))) ((resi 89 and name HE#)) 6.0 0.1 0.1 peak 955 ppm1 3.85 ppm2 7.40 volume 6.62e+06 { 955 } assi (((resi 40 and name HB)) and bondedto ((resi 40 and name CB))) ((resi 89 and name HZ)) 6.0 0.1 0.1 peak 956 ppm1 3.86 ppm2 7.13 volume 4.89e+06 { 956 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 957 ppm1 1.46 ppm2 -0.03 volume 1.20e+07 { 957 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 21 and name HH2)) 6.0 0.1 0.1 peak 958 ppm1 1.46 ppm2 6.94 volume 3.93e+07 { 958 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 40 and name HA)) 6.0 0.1 0.1 peak 959 ppm1 1.46 ppm2 6.02 volume 2.54e+07 { 959 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 40 and name HB)) 6.0 0.1 0.1 peak 960 ppm1 1.46 ppm2 3.86 volume 4.18e+07 { 960 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 40 and name HN)) 6.0 0.1 0.1 peak 961 ppm1 1.46 ppm2 8.92 volume 4.72e+06 { 961 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 41 and name HN)) 6.0 0.1 0.1 peak 962 ppm1 1.46 ppm2 10.34 volume 2.28e+07 { 962 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 963 ppm1 1.46 ppm2 0.77 volume 1.86e+08 { 963 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 964 ppm1 1.46 ppm2 9.72 volume 6.03e+06 { 964 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 965 ppm1 1.46 ppm2 6.67 volume 2.29e+07 { 965 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 88 and name HD1#)) 6.0 0.1 0.1 peak 966 ppm1 1.46 ppm2 0.94 volume 3.76e+08 { 966 } assi (((resi 40 and name HG2#)) and bondedto ((resi 40 and name CG2))) ((resi 89 and name HE#)) 6.0 0.1 0.1 peak 967 ppm1 1.46 ppm2 7.41 volume 1.08e+07 { 967 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 41 and name HB1)) 6.0 0.1 0.1 peak 968 ppm1 6.30 ppm2 3.79 volume 1.29e+07 { 968 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 41 and name HB2)) 6.0 0.1 0.1 peak 969 ppm1 6.31 ppm2 3.14 volume 1.42e+07 { 969 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 41 and name HN)) 6.0 0.1 0.1 peak 970 ppm1 6.30 ppm2 10.34 volume 5.46e+06 { 970 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 42 and name HN)) 6.0 0.1 0.1 peak 971 ppm1 6.30 ppm2 9.61 volume 2.24e+07 { 971 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 85 and name HD2)) 6.0 0.1 0.1 peak 972 ppm1 6.31 ppm2 7.10 volume 3.28e+07 { 972 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 86 and name HA)) 6.0 0.1 0.1 peak 973 ppm1 6.31 ppm2 5.97 volume 1.54e+07 { 973 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 86 and name HB2)) 6.0 0.1 0.1 peak 974 ppm1 6.30 ppm2 2.69 volume 5.30e+06 { 974 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 975 ppm1 6.30 ppm2 6.66 volume 7.38e+06 { 975 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 87 and name HB2)) 6.0 0.1 0.1 peak 976 ppm1 6.30 ppm2 1.43 volume 2.86e+07 { 976 } assi (((resi 41 and name HA)) and bondedto ((resi 41 and name CA))) ((resi 87 and name HN)) 6.0 0.1 0.1 peak 977 ppm1 6.31 ppm2 8.82 volume 5.82e+06 { 977 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 41 and name HA)) 6.0 0.1 0.1 peak 978 ppm1 3.79 ppm2 6.31 volume 1.27e+07 { 978 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 41 and name HA)) 6.0 0.1 0.1 peak 979 ppm1 3.15 ppm2 6.31 volume 1.11e+07 { 979 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 41 and name HB1)) 6.0 0.1 0.1 peak 980 ppm1 3.15 ppm2 3.79 volume 3.08e+07 { 980 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 41 and name HB2)) 6.0 0.1 0.1 peak 981 ppm1 3.80 ppm2 3.15 volume 3.36e+07 { 981 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 42 and name HN)) 6.0 0.1 0.1 peak 982 ppm1 3.79 ppm2 9.62 volume 6.41e+06 { 982 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 42 and name HN)) 6.0 0.1 0.1 peak 983 ppm1 3.15 ppm2 9.62 volume 8.97e+06 { 983 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 84 and name HB2)) 6.0 0.1 0.1 peak 984 ppm1 3.80 ppm2 1.78 volume 9.68e+06 { 984 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 84 and name HB2)) 6.0 0.1 0.1 peak 985 ppm1 3.14 ppm2 1.78 volume 1.00e+07 { 985 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 84 and name HG1)) 6.0 0.1 0.1 peak 986 ppm1 3.79 ppm2 2.11 volume 7.61e+06 { 986 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 84 and name HG1)) 6.0 0.1 0.1 peak 987 ppm1 3.16 ppm2 2.11 volume 6.84e+06 { 987 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 988 ppm1 3.80 ppm2 1.37 volume 6.98e+06 { 988 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 989 ppm1 3.15 ppm2 1.36 volume 7.16e+06 { 989 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HA)) 6.0 0.1 0.1 peak 990 ppm1 3.81 ppm2 5.94 volume 4.00e+06 { 990 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HA)) 6.0 0.1 0.1 peak 991 ppm1 3.15 ppm2 5.95 volume 5.55e+06 { 991 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HB2)) 6.0 0.1 0.1 peak 992 ppm1 3.78 ppm2 2.67 volume 5.50e+06 { 992 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 993 ppm1 3.81 ppm2 6.85 volume 2.63e+06 { 993 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 994 ppm1 3.14 ppm2 6.85 volume 4.26e+06 { 994 } assi (((resi 41 and name HB1)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 995 ppm1 3.82 ppm2 6.68 volume 3.26e+06 { 995 } assi (((resi 41 and name HB2)) and bondedto ((resi 41 and name CB))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 996 ppm1 3.14 ppm2 6.69 volume 4.33e+06 { 996 } assi (((resi 42 and name HA)) and bondedto ((resi 42 and name CA))) ((resi 42 and name HB1)) 6.0 0.1 0.1 peak 997 ppm1 5.87 ppm2 2.91 volume 1.07e+07 { 997 } assi (((resi 42 and name HA)) and bondedto ((resi 42 and name CA))) ((resi 42 and name HB2)) 6.0 0.1 0.1 peak 998 ppm1 5.88 ppm2 2.74 volume 6.20e+06 { 998 } assi (((resi 42 and name HA)) and bondedto ((resi 42 and name CA))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 999 ppm1 5.88 ppm2 6.86 volume 2.01e+07 { 999 } assi (((resi 42 and name HA)) and bondedto ((resi 42 and name CA))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1000 ppm1 5.88 ppm2 8.36 volume 2.56e+07 { 1000 } assi (((resi 42 and name HA)) and bondedto ((resi 42 and name CA))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1001 ppm1 5.88 ppm2 5.67 volume 1.59e+07 { 1001 } assi (((resi 42 and name HA)) and bondedto ((resi 42 and name CA))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1002 ppm1 5.89 ppm2 0.94 volume 1.13e+07 { 1002 } assi (((resi 42 and name HB1)) and bondedto ((resi 42 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 1003 ppm1 2.91 ppm2 -0.05 volume 9.99e+06 { 1003 } assi (((resi 42 and name HB2)) and bondedto ((resi 42 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 1004 ppm1 2.74 ppm2 -0.06 volume 8.31e+06 { 1004 } assi (((resi 42 and name HB1)) and bondedto ((resi 42 and name CB))) ((resi 42 and name HA)) 6.0 0.1 0.1 peak 1005 ppm1 2.90 ppm2 5.88 volume 6.15e+06 { 1005 } assi (((resi 42 and name HB2)) and bondedto ((resi 42 and name CB))) ((resi 42 and name HA)) 6.0 0.1 0.1 peak 1006 ppm1 2.73 ppm2 5.87 volume 4.71e+06 { 1006 } assi (((resi 42 and name HB1)) and bondedto ((resi 42 and name CB))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1007 ppm1 2.90 ppm2 6.85 volume 1.03e+07 { 1007 } assi (((resi 42 and name HB2)) and bondedto ((resi 42 and name CB))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1008 ppm1 2.73 ppm2 6.85 volume 1.13e+07 { 1008 } assi (((resi 42 and name HB1)) and bondedto ((resi 42 and name CB))) ((resi 42 and name HN)) 6.0 0.1 0.1 peak 1009 ppm1 2.90 ppm2 9.62 volume 2.95e+06 { 1009 } assi (((resi 42 and name HB2)) and bondedto ((resi 42 and name CB))) ((resi 42 and name HN)) 6.0 0.1 0.1 peak 1010 ppm1 2.74 ppm2 9.62 volume 4.34e+06 { 1010 } assi (((resi 42 and name HB1)) and bondedto ((resi 42 and name CB))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1011 ppm1 2.90 ppm2 0.94 volume 8.49e+07 { 1011 } assi (((resi 42 and name HB2)) and bondedto ((resi 42 and name CB))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1012 ppm1 2.73 ppm2 0.94 volume 7.40e+06 { 1012 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 1013 ppm1 4.04 ppm2 0.69 volume 2.38e+07 { 1013 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 43 and name HG11)) 6.0 0.1 0.1 peak 1014 ppm1 4.05 ppm2 1.73 volume 1.60e+08 { 1014 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 43 and name HG12)) 6.0 0.1 0.1 peak 1015 ppm1 4.04 ppm2 1.18 volume 7.82e+06 { 1015 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1016 ppm1 4.04 ppm2 0.56 volume 2.02e+07 { 1016 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1017 ppm1 4.04 ppm2 8.36 volume 5.55e+06 { 1017 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1018 ppm1 4.05 ppm2 8.62 volume 2.90e+07 { 1018 } assi (((resi 43 and name HA)) and bondedto ((resi 43 and name CA))) ((resi 84 and name HA)) 6.0 0.1 0.1 peak 1019 ppm1 4.05 ppm2 5.87 volume 1.28e+07 { 1019 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 1020 ppm1 2.24 ppm2 0.69 volume 8.89e+07 { 1020 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 43 and name HG11)) 6.0 0.1 0.1 peak 1021 ppm1 2.24 ppm2 1.68 volume 1.19e+08 { 1021 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 43 and name HG12)) 6.0 0.1 0.1 peak 1022 ppm1 2.25 ppm2 1.17 volume 1.46e+08 { 1022 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1023 ppm1 2.25 ppm2 0.56 volume 2.40e+08 { 1023 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1024 ppm1 2.25 ppm2 8.36 volume 1.10e+07 { 1024 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1025 ppm1 2.24 ppm2 3.53 volume 8.68e+06 { 1025 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1026 ppm1 2.24 ppm2 9.04 volume 8.34e+06 { 1026 } assi (((resi 43 and name HB)) and bondedto ((resi 43 and name CB))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1027 ppm1 2.25 ppm2 8.07 volume 1.01e+07 { 1027 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 42 and name HA)) 6.0 0.1 0.1 peak 1028 ppm1 0.70 ppm2 5.89 volume 5.66e+06 { 1028 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 43 and name HA)) 6.0 0.1 0.1 peak 1029 ppm1 0.70 ppm2 4.05 volume 1.63e+07 { 1029 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 43 and name HB)) 6.0 0.1 0.1 peak 1030 ppm1 0.69 ppm2 2.23 volume 9.04e+06 { 1030 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 43 and name HG11)) 6.0 0.1 0.1 peak 1031 ppm1 0.68 ppm2 1.68 volume 2.11e+07 { 1031 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 43 and name HG12)) 6.0 0.1 0.1 peak 1032 ppm1 0.70 ppm2 1.17 volume 1.81e+07 { 1032 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1033 ppm1 0.70 ppm2 8.36 volume 5.84e+06 { 1033 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1034 ppm1 0.69 ppm2 8.63 volume 6.06e+06 { 1034 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 60 and name HG2#)) 6.0 0.1 0.1 peak 1035 ppm1 0.68 ppm2 0.41 volume 1.56e+07 { 1035 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 61 and name HG2)) 6.0 0.1 0.1 peak 1036 ppm1 0.68 ppm2 2.12 volume 9.53e+06 { 1036 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1037 ppm1 0.68 ppm2 9.03 volume 3.39e+06 { 1037 } assi (((resi 43 and name HD1#)) and bondedto ((resi 43 and name CD1))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 1038 ppm1 0.70 ppm2 1.35 volume 1.81e+07 { 1038 } assi (((resi 43 and name HG11)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HB)) 6.0 0.1 0.1 peak 1039 ppm1 1.69 ppm2 2.24 volume 1.33e+08 { 1039 } assi (((resi 43 and name HG12)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HB)) 6.0 0.1 0.1 peak 1040 ppm1 1.18 ppm2 2.24 volume 1.26e+08 { 1040 } assi (((resi 43 and name HG11)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 1041 ppm1 1.68 ppm2 0.70 volume 2.32e+08 { 1041 } assi (((resi 43 and name HG12)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 1042 ppm1 1.18 ppm2 0.70 volume 2.39e+08 { 1042 } assi (((resi 43 and name HG11)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HG12)) 6.0 0.1 0.1 peak 1043 ppm1 1.68 ppm2 1.17 volume 2.48e+08 { 1043 } assi (((resi 43 and name HG11)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1044 ppm1 1.68 ppm2 0.56 volume 1.19e+08 { 1044 } assi (((resi 43 and name HG12)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1045 ppm1 1.18 ppm2 0.56 volume 1.35e+08 { 1045 } assi (((resi 43 and name HG11)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1046 ppm1 1.68 ppm2 8.35 volume 1.02e+07 { 1046 } assi (((resi 43 and name HG12)) and bondedto ((resi 43 and name CG1))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1047 ppm1 1.18 ppm2 8.36 volume 7.84e+06 { 1047 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 43 and name HA)) 6.0 0.1 0.1 peak 1048 ppm1 0.56 ppm2 4.05 volume 3.05e+07 { 1048 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 43 and name HB)) 6.0 0.1 0.1 peak 1049 ppm1 0.56 ppm2 2.24 volume 3.79e+08 { 1049 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 43 and name HG11)) 6.0 0.1 0.1 peak 1050 ppm1 0.56 ppm2 1.72 volume 3.42e+08 { 1050 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 43 and name HG12)) 6.0 0.1 0.1 peak 1051 ppm1 0.56 ppm2 1.19 volume 2.87e+08 { 1051 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 43 and name HN)) 6.0 0.1 0.1 peak 1052 ppm1 0.57 ppm2 8.35 volume 1.17e+07 { 1052 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1053 ppm1 0.56 ppm2 8.63 volume 2.38e+07 { 1053 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1054 ppm1 0.56 ppm2 4.43 volume 1.19e+07 { 1054 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1055 ppm1 0.56 ppm2 7.79 volume 3.01e+07 { 1055 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 61 and name HA)) 6.0 0.1 0.1 peak 1056 ppm1 0.56 ppm2 5.10 volume 1.81e+07 { 1056 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1057 ppm1 0.56 ppm2 3.53 volume 4.41e+07 { 1057 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1058 ppm1 0.56 ppm2 7.37 volume 1.44e+07 { 1058 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1059 ppm1 0.56 ppm2 9.04 volume 2.00e+07 { 1059 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1060 ppm1 0.56 ppm2 8.05 volume 9.55e+06 { 1060 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 1061 ppm1 0.56 ppm2 1.35 volume 2.74e+08 { 1061 } assi (((resi 43 and name HG2#)) and bondedto ((resi 43 and name CG2))) ((resi 84 and name HA)) 6.0 0.1 0.1 peak 1062 ppm1 0.56 ppm2 5.88 volume 5.12e+06 { 1062 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 1063 ppm1 4.11 ppm2 6.76 volume 8.93e+06 { 1063 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1064 ppm1 4.11 ppm2 0.56 volume 2.75e+07 { 1064 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 44 and name HB#)) 6.0 0.1 0.1 peak 1065 ppm1 4.11 ppm2 1.66 volume 4.97e+08 { 1065 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 1066 ppm1 4.11 ppm2 0.77 volume 1.18e+07 { 1066 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 44 and name HD2#)) 6.0 0.1 0.1 peak 1067 ppm1 4.11 ppm2 1.19 volume 5.02e+08 { 1067 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1068 ppm1 4.11 ppm2 8.62 volume 1.51e+07 { 1068 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1069 ppm1 4.11 ppm2 7.80 volume 8.17e+06 { 1069 } assi (((resi 44 and name HA)) and bondedto ((resi 44 and name CA))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1070 ppm1 4.12 ppm2 9.07 volume 1.73e+07 { 1070 } assi (((resi 44 and name HB#)) and bondedto ((resi 44 and name CB))) ((resi 43 and name HB)) 6.0 0.1 0.1 peak 1071 ppm1 1.66 ppm2 2.25 volume 5.59e+06 { 1071 } assi (((resi 44 and name HB#)) and bondedto ((resi 44 and name CB))) ((resi 44 and name HA)) 6.0 0.1 0.1 peak 1072 ppm1 1.65 ppm2 4.10 volume 1.95e+07 { 1072 } assi (((resi 44 and name HB#)) and bondedto ((resi 44 and name CB))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 1073 ppm1 1.65 ppm2 0.77 volume 2.91e+08 { 1073 } assi (((resi 44 and name HB#)) and bondedto ((resi 44 and name CB))) ((resi 44 and name HD2#)) 6.0 0.1 0.1 peak 1074 ppm1 1.66 ppm2 1.18 volume 2.36e+08 { 1074 } assi (((resi 44 and name HB#)) and bondedto ((resi 44 and name CB))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1075 ppm1 1.66 ppm2 8.62 volume 1.42e+07 { 1075 } assi (((resi 44 and name HB#)) and bondedto ((resi 44 and name CB))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1076 ppm1 1.65 ppm2 7.79 volume 1.17e+07 { 1076 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1077 ppm1 0.78 ppm2 6.83 volume 9.20e+06 { 1077 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 1078 ppm1 0.78 ppm2 6.73 volume 1.63e+07 { 1078 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 44 and name HA)) 6.0 0.1 0.1 peak 1079 ppm1 0.78 ppm2 4.11 volume 1.01e+07 { 1079 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 44 and name HB#)) 6.0 0.1 0.1 peak 1080 ppm1 0.78 ppm2 1.66 volume 7.45e+08 { 1080 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 44 and name HD2#)) 6.0 0.1 0.1 peak 1081 ppm1 0.78 ppm2 1.18 volume 6.93e+08 { 1081 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1082 ppm1 0.78 ppm2 8.62 volume 7.35e+06 { 1082 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1083 ppm1 0.78 ppm2 7.79 volume 6.34e+06 { 1083 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 83 and name HD1)) 6.0 0.1 0.1 peak 1084 ppm1 0.78 ppm2 3.14 volume 1.01e+07 { 1084 } assi (((resi 44 and name HD1#)) and bondedto ((resi 44 and name CD1))) ((resi 84 and name HA)) 6.0 0.1 0.1 peak 1085 ppm1 0.78 ppm2 5.89 volume 4.92e+06 { 1085 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1086 ppm1 1.19 ppm2 6.84 volume 5.84e+07 { 1086 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 1087 ppm1 1.19 ppm2 6.75 volume 8.78e+07 { 1087 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 44 and name HA)) 6.0 0.1 0.1 peak 1088 ppm1 1.19 ppm2 4.11 volume 8.96e+07 { 1088 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 1089 ppm1 1.19 ppm2 0.77 volume 6.52e+08 { 1089 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 1090 ppm1 1.19 ppm2 8.62 volume 1.26e+07 { 1090 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1091 ppm1 1.19 ppm2 7.79 volume 7.33e+06 { 1091 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1092 ppm1 1.20 ppm2 3.12 volume 1.78e+07 { 1092 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1093 ppm1 1.19 ppm2 9.01 volume 6.38e+06 { 1093 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 83 and name HB1)) 6.0 0.1 0.1 peak 1094 ppm1 1.19 ppm2 1.74 volume 1.17e+09 { 1094 } assi (((resi 44 and name HD2#)) and bondedto ((resi 44 and name CD2))) ((resi 84 and name HA)) 6.0 0.1 0.1 peak 1095 ppm1 1.19 ppm2 5.89 volume 9.06e+06 { 1095 } assi (((resi 44 and name HG)) and bondedto ((resi 44 and name CG))) ((resi 44 and name HA)) 6.0 0.1 0.1 peak 1096 ppm1 1.76 ppm2 4.11 volume 2.98e+07 { 1096 } assi (((resi 44 and name HG)) and bondedto ((resi 44 and name CG))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1097 ppm1 1.80 ppm2 7.77 volume 1.31e+07 { 1097 } assi (((resi 44 and name HG)) and bondedto ((resi 44 and name CG))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1098 ppm1 1.76 ppm2 1.25 volume 7.70e+08 { 1098 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1099 ppm1 4.42 ppm2 0.56 volume 3.81e+07 { 1099 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 44 and name HD2#)) 6.0 0.1 0.1 peak 1100 ppm1 4.41 ppm2 1.19 volume 5.25e+07 { 1100 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 44 and name HG)) 6.0 0.1 0.1 peak 1101 ppm1 4.42 ppm2 1.77 volume 6.43e+08 { 1101 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 45 and name HB2)) 6.0 0.1 0.1 peak 1102 ppm1 4.41 ppm2 1.91 volume 2.91e+08 { 1102 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1103 ppm1 4.42 ppm2 7.79 volume 9.04e+06 { 1103 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 1104 ppm1 4.41 ppm2 3.47 volume 5.54e+07 { 1104 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1105 ppm1 4.42 ppm2 8.63 volume 3.84e+07 { 1105 } assi (((resi 45 and name HA)) and bondedto ((resi 45 and name CA))) ((resi 61 and name HG1)) 6.0 0.1 0.1 peak 1106 ppm1 4.42 ppm2 2.23 volume 1.90e+08 { 1106 } assi (((resi 45 and name HB1)) and bondedto ((resi 45 and name CB))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1107 ppm1 2.13 ppm2 4.43 volume 1.78e+07 { 1107 } assi (((resi 45 and name HB2)) and bondedto ((resi 45 and name CB))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1108 ppm1 1.92 ppm2 4.42 volume 1.41e+07 { 1108 } assi (((resi 45 and name HB2)) and bondedto ((resi 45 and name CB))) ((resi 45 and name HB1)) 6.0 0.1 0.1 peak 1109 ppm1 1.93 ppm2 2.14 volume 6.84e+08 { 1109 } assi (((resi 45 and name HB1)) and bondedto ((resi 45 and name CB))) ((resi 45 and name HB2)) 6.0 0.1 0.1 peak 1110 ppm1 2.13 ppm2 1.94 volume 6.54e+08 { 1110 } assi (((resi 45 and name HB1)) and bondedto ((resi 45 and name CB))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1111 ppm1 2.14 ppm2 7.79 volume 5.22e+06 { 1111 } assi (((resi 45 and name HB2)) and bondedto ((resi 45 and name CB))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1112 ppm1 1.92 ppm2 7.79 volume 1.14e+07 { 1112 } assi (((resi 45 and name HB1)) and bondedto ((resi 45 and name CB))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1113 ppm1 2.13 ppm2 8.66 volume 1.23e+07 { 1113 } assi (((resi 45 and name HB2)) and bondedto ((resi 45 and name CB))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1114 ppm1 1.93 ppm2 8.63 volume 7.81e+06 { 1114 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1115 ppm1 2.25 ppm2 0.56 volume 1.89e+07 { 1115 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 44 and name HB#)) 6.0 0.1 0.1 peak 1116 ppm1 2.26 ppm2 1.67 volume 3.16e+08 { 1116 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 45 and name HB2)) 6.0 0.1 0.1 peak 1117 ppm1 2.26 ppm2 1.94 volume 4.90e+08 { 1117 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 45 and name HN)) 6.0 0.1 0.1 peak 1118 ppm1 2.25 ppm2 7.79 volume 1.21e+07 { 1118 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 1119 ppm1 2.27 ppm2 3.45 volume 4.23e+06 { 1119 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1120 ppm1 2.26 ppm2 8.62 volume 1.20e+07 { 1120 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1121 ppm1 2.26 ppm2 3.13 volume 9.49e+06 { 1121 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 1122 ppm1 2.26 ppm2 5.26 volume 5.02e+06 { 1122 } assi (((resi 45 and name HG#)) and bondedto ((resi 45 and name CG))) ((resi 83 and name HN)) 6.0 0.1 0.1 peak 1123 ppm1 2.26 ppm2 8.26 volume 7.05e+06 { 1123 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 46 and name HA1)) 6.0 0.1 0.1 peak 1124 ppm1 3.45 ppm2 4.54 volume 6.39e+08 { 1124 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 1125 ppm1 4.54 ppm2 3.45 volume 6.06e+08 { 1125 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1126 ppm1 4.54 ppm2 8.62 volume 2.26e+07 { 1126 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1127 ppm1 3.45 ppm2 8.63 volume 2.79e+07 { 1127 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 1128 ppm1 4.54 ppm2 7.33 volume 3.05e+07 { 1128 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 1129 ppm1 3.45 ppm2 7.33 volume 3.99e+07 { 1129 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 80 and name HB1)) 6.0 0.1 0.1 peak 1130 ppm1 4.55 ppm2 1.66 volume 4.59e+06 { 1130 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 80 and name HB1)) 6.0 0.1 0.1 peak 1131 ppm1 3.45 ppm2 1.68 volume 1.50e+07 { 1131 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 1132 ppm1 4.54 ppm2 5.23 volume 2.11e+07 { 1132 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 1133 ppm1 3.45 ppm2 5.25 volume 1.62e+07 { 1133 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 1134 ppm1 3.48 ppm2 5.25 volume 9.37e+06 { 1134 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 1135 ppm1 4.54 ppm2 2.13 volume 1.54e+08 { 1135 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 1136 ppm1 3.45 ppm2 2.12 volume 2.28e+07 { 1136 } assi (((resi 46 and name HA1)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 1137 ppm1 4.53 ppm2 1.35 volume 1.39e+07 { 1137 } assi (((resi 46 and name HA2)) and bondedto ((resi 46 and name CA))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 1138 ppm1 3.44 ppm2 1.37 volume 1.01e+07 { 1138 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 47 and name HB1)) 6.0 0.1 0.1 peak 1139 ppm1 5.10 ppm2 1.78 volume 2.19e+07 { 1139 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 47 and name HB2)) 6.0 0.1 0.1 peak 1140 ppm1 5.11 ppm2 1.58 volume 2.25e+07 { 1140 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1141 ppm1 5.11 ppm2 1.24 volume 1.24e+07 { 1141 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 47 and name HG2)) 6.0 0.1 0.1 peak 1142 ppm1 5.11 ppm2 1.41 volume 1.89e+07 { 1142 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 1143 ppm1 5.11 ppm2 7.34 volume 9.92e+06 { 1143 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1144 ppm1 5.10 ppm2 9.33 volume 4.65e+08 { 1144 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 61 and name HB1)) 6.0 0.1 0.1 peak 1145 ppm1 5.11 ppm2 2.06 volume 1.04e+07 { 1145 } assi (((resi 47 and name HA)) and bondedto ((resi 47 and name CA))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 1146 ppm1 5.11 ppm2 0.87 volume 1.19e+07 { 1146 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1147 ppm1 1.80 ppm2 5.10 volume 1.61e+07 { 1147 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1148 ppm1 1.54 ppm2 5.11 volume 1.23e+07 { 1148 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HB1)) 6.0 0.1 0.1 peak 1149 ppm1 1.55 ppm2 1.79 volume 4.15e+08 { 1149 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HB2)) 6.0 0.1 0.1 peak 1150 ppm1 1.80 ppm2 1.55 volume 5.08e+08 { 1150 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1151 ppm1 1.80 ppm2 2.84 volume 5.10e+06 { 1151 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1152 ppm1 1.54 ppm2 2.83 volume 4.22e+06 { 1152 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1153 ppm1 1.80 ppm2 1.24 volume 1.58e+08 { 1153 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1154 ppm1 1.55 ppm2 1.24 volume 1.99e+08 { 1154 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 1155 ppm1 1.81 ppm2 7.33 volume 6.54e+06 { 1155 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 1156 ppm1 1.53 ppm2 7.33 volume 7.10e+06 { 1156 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1157 ppm1 1.79 ppm2 9.34 volume 5.53e+06 { 1157 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 61 and name HG2)) 6.0 0.1 0.1 peak 1158 ppm1 1.81 ppm2 2.13 volume 1.33e+08 { 1158 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 61 and name HG2)) 6.0 0.1 0.1 peak 1159 ppm1 1.55 ppm2 2.15 volume 6.35e+07 { 1159 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 1160 ppm1 1.79 ppm2 0.87 volume 8.31e+06 { 1160 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 1161 ppm1 1.54 ppm2 0.86 volume 1.20e+07 { 1161 } assi (((resi 47 and name HB1)) and bondedto ((resi 47 and name CB))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 1162 ppm1 1.80 ppm2 8.04 volume 4.69e+06 { 1162 } assi (((resi 47 and name HB2)) and bondedto ((resi 47 and name CB))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 1163 ppm1 1.55 ppm2 8.05 volume 4.42e+06 { 1163 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1164 ppm1 1.63 ppm2 5.10 volume 1.37e+07 { 1164 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1165 ppm1 1.63 ppm2 2.84 volume 4.42e+07 { 1165 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1166 ppm1 1.62 ppm2 1.24 volume 4.64e+08 { 1166 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 47 and name HG2)) 6.0 0.1 0.1 peak 1167 ppm1 1.64 ppm2 1.41 volume 5.98e+08 { 1167 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 1168 ppm1 1.64 ppm2 7.34 volume 3.43e+06 { 1168 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1169 ppm1 1.63 ppm2 9.31 volume 4.35e+06 { 1169 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 1170 ppm1 1.63 ppm2 0.86 volume 4.05e+08 { 1170 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 80 and name HG1)) 6.0 0.1 0.1 peak 1171 ppm1 1.62 ppm2 2.17 volume 2.08e+08 { 1171 } assi (((resi 47 and name HD#)) and bondedto ((resi 47 and name CD))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 1172 ppm1 1.63 ppm2 8.04 volume 3.53e+06 { 1172 } assi (((resi 47 and name HE#)) and bondedto ((resi 47 and name CE))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1173 ppm1 2.84 ppm2 5.10 volume 1.51e+07 { 1173 } assi (((resi 47 and name HE#)) and bondedto ((resi 47 and name CE))) ((resi 47 and name HB2)) 6.0 0.1 0.1 peak 1174 ppm1 2.85 ppm2 1.57 volume 1.41e+09 { 1174 } assi (((resi 47 and name HE#)) and bondedto ((resi 47 and name CE))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1175 ppm1 2.85 ppm2 1.26 volume 8.75e+08 { 1175 } assi (((resi 47 and name HE#)) and bondedto ((resi 47 and name CE))) ((resi 49 and name HG2)) 6.0 0.1 0.1 peak 1176 ppm1 2.84 ppm2 1.98 volume 3.55e+08 { 1176 } assi (((resi 47 and name HE#)) and bondedto ((resi 47 and name CE))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 1177 ppm1 2.84 ppm2 4.12 volume 2.92e+07 { 1177 } assi (((resi 47 and name HE#)) and bondedto ((resi 47 and name CE))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 1178 ppm1 2.84 ppm2 0.83 volume 9.85e+08 { 1178 } assi (((resi 47 and name HG1)) and bondedto ((resi 47 and name CG))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1179 ppm1 1.24 ppm2 5.10 volume 1.08e+07 { 1179 } assi (((resi 47 and name HG2)) and bondedto ((resi 47 and name CG))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1180 ppm1 1.41 ppm2 5.10 volume 1.06e+07 { 1180 } assi (((resi 47 and name HG1)) and bondedto ((resi 47 and name CG))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1181 ppm1 1.23 ppm2 2.82 volume 1.20e+07 { 1181 } assi (((resi 47 and name HG2)) and bondedto ((resi 47 and name CG))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1182 ppm1 1.41 ppm2 2.83 volume 8.03e+06 { 1182 } assi (((resi 47 and name HG1)) and bondedto ((resi 47 and name CG))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1183 ppm1 1.23 ppm2 9.33 volume 6.04e+06 { 1183 } assi (((resi 47 and name HG2)) and bondedto ((resi 47 and name CG))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1184 ppm1 1.41 ppm2 9.33 volume 6.04e+06 { 1184 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1185 ppm1 4.97 ppm2 0.38 volume 1.55e+08 { 1185 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 48 and name HG2#)) 6.0 0.1 0.1 peak 1186 ppm1 4.97 ppm2 0.89 volume 3.19e+08 { 1186 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1187 ppm1 4.96 ppm2 9.33 volume 7.58e+07 { 1187 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1188 ppm1 4.97 ppm2 9.04 volume 4.41e+07 { 1188 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1189 ppm1 4.97 ppm2 1.37 volume 8.34e+07 { 1189 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 1190 ppm1 4.96 ppm2 4.11 volume 2.15e+07 { 1190 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 79 and name HB2)) 6.0 0.1 0.1 peak 1191 ppm1 4.97 ppm2 1.74 volume 8.85e+07 { 1191 } assi (((resi 48 and name HA)) and bondedto ((resi 48 and name CA))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 1192 ppm1 4.96 ppm2 8.72 volume 1.08e+08 { 1192 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 1193 ppm1 1.64 ppm2 0.72 volume 8.94e+06 { 1193 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 47 and name HA)) 6.0 0.1 0.1 peak 1194 ppm1 1.61 ppm2 5.10 volume 6.18e+06 { 1194 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 1195 ppm1 1.62 ppm2 4.97 volume 7.06e+06 { 1195 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1196 ppm1 1.63 ppm2 0.40 volume 3.08e+07 { 1196 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 48 and name HG2#)) 6.0 0.1 0.1 peak 1197 ppm1 1.62 ppm2 0.87 volume 3.57e+07 { 1197 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1198 ppm1 1.62 ppm2 9.33 volume 1.06e+07 { 1198 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1199 ppm1 1.61 ppm2 0.07 volume 5.03e+06 { 1199 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 60 and name HG11)) 6.0 0.1 0.1 peak 1200 ppm1 1.61 ppm2 1.28 volume 1.17e+08 { 1200 } assi (((resi 48 and name HB)) and bondedto ((resi 48 and name CB))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1201 ppm1 1.63 ppm2 8.96 volume 4.97e+06 { 1201 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 1202 ppm1 0.39 ppm2 4.97 volume 3.46e+07 { 1202 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 48 and name HB)) 6.0 0.1 0.1 peak 1203 ppm1 0.39 ppm2 1.62 volume 5.15e+07 { 1203 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 48 and name HG2#)) 6.0 0.1 0.1 peak 1204 ppm1 0.39 ppm2 0.89 volume 7.03e+08 { 1204 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1205 ppm1 0.39 ppm2 9.33 volume 1.00e+07 { 1205 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1206 ppm1 0.39 ppm2 5.15 volume 6.42e+06 { 1206 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 49 and name HG2)) 6.0 0.1 0.1 peak 1207 ppm1 0.39 ppm2 1.97 volume 9.37e+06 { 1207 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1208 ppm1 0.39 ppm2 9.04 volume 3.27e+07 { 1208 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1209 ppm1 0.39 ppm2 0.08 volume 3.13e+08 { 1209 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1210 ppm1 0.39 ppm2 4.42 volume 1.31e+07 { 1210 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 76 and name HB1)) 6.0 0.1 0.1 peak 1211 ppm1 0.39 ppm2 2.23 volume 1.11e+07 { 1211 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 76 and name HE3)) 6.0 0.1 0.1 peak 1212 ppm1 0.39 ppm2 7.33 volume 1.41e+07 { 1212 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 76 and name HH2)) 6.0 0.1 0.1 peak 1213 ppm1 0.39 ppm2 6.94 volume 7.49e+06 { 1213 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1214 ppm1 0.39 ppm2 1.38 volume 3.58e+07 { 1214 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1215 ppm1 0.39 ppm2 8.70 volume 2.91e+07 { 1215 } assi (((resi 48 and name HG1#)) and bondedto ((resi 48 and name CG1))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 1216 ppm1 0.39 ppm2 4.12 volume 1.43e+07 { 1216 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1217 ppm1 0.92 ppm2 2.84 volume 2.22e+07 { 1217 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 1218 ppm1 0.90 ppm2 4.97 volume 2.37e+08 { 1218 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 48 and name HB)) 6.0 0.1 0.1 peak 1219 ppm1 0.90 ppm2 1.61 volume 5.50e+08 { 1219 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1220 ppm1 0.90 ppm2 0.39 volume 6.84e+08 { 1220 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1221 ppm1 0.90 ppm2 9.33 volume 1.20e+08 { 1221 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1222 ppm1 0.92 ppm2 5.17 volume 2.77e+07 { 1222 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1223 ppm1 0.90 ppm2 9.04 volume 7.92e+07 { 1223 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1224 ppm1 0.93 ppm2 9.56 volume 6.00e+06 { 1224 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1225 ppm1 0.90 ppm2 6.95 volume 2.06e+07 { 1225 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 59 and name HA)) 6.0 0.1 0.1 peak 1226 ppm1 0.92 ppm2 4.81 volume 6.46e+07 { 1226 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1227 ppm1 0.92 ppm2 8.96 volume 2.52e+07 { 1227 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 76 and name HE3)) 6.0 0.1 0.1 peak 1228 ppm1 0.90 ppm2 7.33 volume 1.71e+07 { 1228 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 77 and name HB1)) 6.0 0.1 0.1 peak 1229 ppm1 0.92 ppm2 2.15 volume 3.20e+08 { 1229 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1230 ppm1 0.90 ppm2 1.36 volume 7.28e+08 { 1230 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1231 ppm1 0.90 ppm2 8.71 volume 7.03e+07 { 1231 } assi (((resi 48 and name HG2#)) and bondedto ((resi 48 and name CG2))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 1232 ppm1 0.90 ppm2 4.12 volume 1.14e+08 { 1232 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 48 and name HG2#)) 6.0 0.1 0.1 peak 1233 ppm1 5.18 ppm2 0.90 volume 1.86e+07 { 1233 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 49 and name HG1)) 6.0 0.1 0.1 peak 1234 ppm1 5.17 ppm2 2.16 volume 1.39e+08 { 1234 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 49 and name HG2)) 6.0 0.1 0.1 peak 1235 ppm1 5.17 ppm2 1.98 volume 3.97e+08 { 1235 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1236 ppm1 5.16 ppm2 9.03 volume 1.27e+08 { 1236 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1237 ppm1 5.17 ppm2 0.08 volume 7.15e+06 { 1237 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1238 ppm1 5.17 ppm2 9.56 volume 4.73e+07 { 1238 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 59 and name HA)) 6.0 0.1 0.1 peak 1239 ppm1 5.18 ppm2 4.82 volume 1.87e+08 { 1239 } assi (((resi 49 and name HA)) and bondedto ((resi 49 and name CA))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1240 ppm1 5.17 ppm2 8.96 volume 9.33e+07 { 1240 } assi (((resi 49 and name HB#)) and bondedto ((resi 49 and name CB))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1241 ppm1 1.99 ppm2 5.18 volume 1.59e+07 { 1241 } assi (((resi 49 and name HB#)) and bondedto ((resi 49 and name CB))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1242 ppm1 1.99 ppm2 9.04 volume 1.37e+07 { 1242 } assi (((resi 49 and name HB#)) and bondedto ((resi 49 and name CB))) ((resi 77 and name HG2)) 6.0 0.1 0.1 peak 1243 ppm1 1.99 ppm2 1.17 volume 9.99e+07 { 1243 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 47 and name HB2)) 6.0 0.1 0.1 peak 1244 ppm1 2.17 ppm2 1.57 volume 1.36e+08 { 1244 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 47 and name HB2)) 6.0 0.1 0.1 peak 1245 ppm1 1.98 ppm2 1.55 volume 1.00e+08 { 1245 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1246 ppm1 2.15 ppm2 1.27 volume 5.98e+07 { 1246 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 1247 ppm1 1.98 ppm2 1.25 volume 6.29e+07 { 1247 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 48 and name HG2#)) 6.0 0.1 0.1 peak 1248 ppm1 2.17 ppm2 0.89 volume 2.59e+07 { 1248 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 48 and name HG2#)) 6.0 0.1 0.1 peak 1249 ppm1 1.98 ppm2 0.90 volume 2.75e+07 { 1249 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1250 ppm1 2.16 ppm2 5.17 volume 8.07e+06 { 1250 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1251 ppm1 1.98 ppm2 5.18 volume 1.19e+07 { 1251 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 49 and name HG2)) 6.0 0.1 0.1 peak 1252 ppm1 2.17 ppm2 2.02 volume 2.30e+09 { 1252 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1253 ppm1 2.16 ppm2 9.03 volume 6.36e+06 { 1253 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1254 ppm1 1.99 ppm2 9.01 volume 6.45e+06 { 1254 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1255 ppm1 2.17 ppm2 9.57 volume 4.29e+06 { 1255 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1256 ppm1 1.99 ppm2 9.58 volume 5.93e+06 { 1256 } assi (((resi 49 and name HG1)) and bondedto ((resi 49 and name CG))) ((resi 59 and name HA)) 6.0 0.1 0.1 peak 1257 ppm1 2.17 ppm2 4.80 volume 1.47e+08 { 1257 } assi (((resi 49 and name HG2)) and bondedto ((resi 49 and name CG))) ((resi 59 and name HA)) 6.0 0.1 0.1 peak 1258 ppm1 1.99 ppm2 4.80 volume 7.97e+07 { 1258 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1259 ppm1 4.98 ppm2 1.88 volume 1.07e+08 { 1259 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1260 ppm1 4.98 ppm2 0.85 volume 2.86e+08 { 1260 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1261 ppm1 4.98 ppm2 0.09 volume 2.21e+08 { 1261 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1262 ppm1 4.97 ppm2 9.56 volume 5.08e+07 { 1262 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 51 and name HN)) 6.0 0.1 0.1 peak 1263 ppm1 4.98 ppm2 9.01 volume 4.55e+07 { 1263 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1264 ppm1 4.98 ppm2 4.43 volume 1.31e+08 { 1264 } assi (((resi 50 and name HA)) and bondedto ((resi 50 and name CA))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1265 ppm1 4.97 ppm2 8.70 volume 4.82e+07 { 1265 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1266 ppm1 1.90 ppm2 5.19 volume 4.85e+06 { 1266 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 50 and name HA)) 6.0 0.1 0.1 peak 1267 ppm1 1.90 ppm2 4.97 volume 4.11e+06 { 1267 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1268 ppm1 1.90 ppm2 0.85 volume 2.63e+08 { 1268 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1269 ppm1 1.89 ppm2 0.08 volume 2.38e+07 { 1269 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1270 ppm1 1.90 ppm2 9.56 volume 1.24e+08 { 1270 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 58 and name HB1)) 6.0 0.1 0.1 peak 1271 ppm1 1.90 ppm2 2.75 volume 7.68e+06 { 1271 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 58 and name HB2)) 6.0 0.1 0.1 peak 1272 ppm1 1.89 ppm2 2.50 volume 1.11e+08 { 1272 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1273 ppm1 1.90 ppm2 6.97 volume 7.81e+06 { 1273 } assi (((resi 50 and name HB)) and bondedto ((resi 50 and name CB))) ((resi 60 and name HG2#)) 6.0 0.1 0.1 peak 1274 ppm1 1.90 ppm2 0.41 volume 3.40e+07 { 1274 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 50 and name HA)) 6.0 0.1 0.1 peak 1275 ppm1 0.85 ppm2 4.97 volume 4.34e+07 { 1275 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1276 ppm1 0.85 ppm2 0.08 volume 1.06e+08 { 1276 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1277 ppm1 0.84 ppm2 9.57 volume 1.05e+07 { 1277 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 51 and name HG2#)) 6.0 0.1 0.1 peak 1278 ppm1 0.83 ppm2 1.25 volume 2.91e+08 { 1278 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 51 and name HN)) 6.0 0.1 0.1 peak 1279 ppm1 0.84 ppm2 9.00 volume 4.01e+07 { 1279 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 57 and name HB#)) 6.0 0.1 0.1 peak 1280 ppm1 0.84 ppm2 1.58 volume 4.86e+08 { 1280 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 58 and name HB1)) 6.0 0.1 0.1 peak 1281 ppm1 0.84 ppm2 2.79 volume 3.82e+07 { 1281 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1282 ppm1 0.85 ppm2 6.95 volume 4.24e+07 { 1282 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 74 and name HA)) 6.0 0.1 0.1 peak 1283 ppm1 0.85 ppm2 5.46 volume 1.57e+07 { 1283 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1284 ppm1 0.85 ppm2 3.10 volume 1.61e+07 { 1284 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1285 ppm1 0.85 ppm2 4.42 volume 5.44e+06 { 1285 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1286 ppm1 0.83 ppm2 9.32 volume 1.20e+07 { 1286 } assi (((resi 50 and name HG1#)) and bondedto ((resi 50 and name CG1))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1287 ppm1 0.84 ppm2 8.70 volume 7.92e+06 { 1287 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1288 ppm1 0.09 ppm2 0.40 volume 5.11e+08 { 1288 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1289 ppm1 0.09 ppm2 5.17 volume 7.13e+06 { 1289 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 50 and name HA)) 6.0 0.1 0.1 peak 1290 ppm1 0.09 ppm2 4.98 volume 3.61e+07 { 1290 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1291 ppm1 0.09 ppm2 1.89 volume 5.18e+07 { 1291 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1292 ppm1 0.09 ppm2 0.84 volume 6.81e+08 { 1292 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1293 ppm1 0.09 ppm2 9.57 volume 1.83e+07 { 1293 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 51 and name HN)) 6.0 0.1 0.1 peak 1294 ppm1 0.09 ppm2 9.01 volume 1.34e+07 { 1294 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 52 and name HG2#)) 6.0 0.1 0.1 peak 1295 ppm1 0.09 ppm2 1.60 volume 1.57e+07 { 1295 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 57 and name HG#)) 6.0 0.1 0.1 peak 1296 ppm1 0.09 ppm2 1.27 volume 7.95e+06 { 1296 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 58 and name HB1)) 6.0 0.1 0.1 peak 1297 ppm1 0.09 ppm2 2.76 volume 5.15e+06 { 1297 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 58 and name HB2)) 6.0 0.1 0.1 peak 1298 ppm1 0.09 ppm2 2.50 volume 4.70e+06 { 1298 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1299 ppm1 0.09 ppm2 6.95 volume 2.80e+07 { 1299 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 68 and name HZ)) 6.0 0.1 0.1 peak 1300 ppm1 0.09 ppm2 6.58 volume 1.14e+07 { 1300 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1301 ppm1 0.09 ppm2 4.42 volume 1.49e+07 { 1301 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 76 and name HD1)) 6.0 0.1 0.1 peak 1302 ppm1 0.09 ppm2 7.05 volume 4.31e+07 { 1302 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1303 ppm1 0.09 ppm2 9.33 volume 5.67e+06 { 1303 } assi (((resi 50 and name HG2#)) and bondedto ((resi 50 and name CG2))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1304 ppm1 0.09 ppm2 8.69 volume 1.21e+07 { 1304 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 50 and name HA)) 6.0 0.1 0.1 peak 1305 ppm1 5.63 ppm2 4.98 volume 5.40e+06 { 1305 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1306 ppm1 5.63 ppm2 0.86 volume 4.90e+06 { 1306 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 51 and name HB)) 6.0 0.1 0.1 peak 1307 ppm1 5.63 ppm2 4.02 volume 1.06e+07 { 1307 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 51 and name HG2#)) 6.0 0.1 0.1 peak 1308 ppm1 5.62 ppm2 1.25 volume 4.97e+07 { 1308 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 51 and name HN)) 6.0 0.1 0.1 peak 1309 ppm1 5.63 ppm2 9.01 volume 6.61e+06 { 1309 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 52 and name HN)) 6.0 0.1 0.1 peak 1310 ppm1 5.62 ppm2 9.63 volume 5.74e+07 { 1310 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 57 and name HA)) 6.0 0.1 0.1 peak 1311 ppm1 5.63 ppm2 5.33 volume 2.74e+07 { 1311 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 57 and name HD#)) 6.0 0.1 0.1 peak 1312 ppm1 5.63 ppm2 1.56 volume 2.08e+07 { 1312 } assi (((resi 51 and name HA)) and bondedto ((resi 51 and name CA))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1313 ppm1 5.63 ppm2 9.32 volume 1.12e+07 { 1313 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 50 and name HA)) 6.0 0.1 0.1 peak 1314 ppm1 4.02 ppm2 4.97 volume 5.24e+06 { 1314 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 51 and name HA)) 6.0 0.1 0.1 peak 1315 ppm1 4.03 ppm2 5.63 volume 1.12e+07 { 1315 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 51 and name HG2#)) 6.0 0.1 0.1 peak 1316 ppm1 4.02 ppm2 1.25 volume 5.60e+07 { 1316 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 51 and name HN)) 6.0 0.1 0.1 peak 1317 ppm1 4.02 ppm2 9.01 volume 1.62e+07 { 1317 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 52 and name HN)) 6.0 0.1 0.1 peak 1318 ppm1 4.02 ppm2 9.63 volume 8.30e+06 { 1318 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 75 and name HB1)) 6.0 0.1 0.1 peak 1319 ppm1 4.03 ppm2 1.80 volume 7.62e+06 { 1319 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 75 and name HB2)) 6.0 0.1 0.1 peak 1320 ppm1 4.02 ppm2 1.89 volume 9.81e+06 { 1320 } assi (((resi 51 and name HB)) and bondedto ((resi 51 and name CB))) ((resi 75 and name HG#)) 6.0 0.1 0.1 peak 1321 ppm1 4.02 ppm2 1.54 volume 8.10e+06 { 1321 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 51 and name HA)) 6.0 0.1 0.1 peak 1322 ppm1 1.26 ppm2 5.63 volume 5.57e+07 { 1322 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 51 and name HB)) 6.0 0.1 0.1 peak 1323 ppm1 1.26 ppm2 4.02 volume 7.38e+07 { 1323 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 51 and name HN)) 6.0 0.1 0.1 peak 1324 ppm1 1.26 ppm2 9.02 volume 8.43e+06 { 1324 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 52 and name HN)) 6.0 0.1 0.1 peak 1325 ppm1 1.26 ppm2 9.63 volume 3.49e+07 { 1325 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 55 and name HA2)) 6.0 0.1 0.1 peak 1326 ppm1 1.26 ppm2 3.60 volume 2.08e+07 { 1326 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 55 and name HN)) 6.0 0.1 0.1 peak 1327 ppm1 1.25 ppm2 8.14 volume 5.76e+06 { 1327 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1328 ppm1 1.25 ppm2 4.21 volume 2.24e+07 { 1328 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 56 and name HB1)) 6.0 0.1 0.1 peak 1329 ppm1 1.26 ppm2 1.92 volume 4.29e+07 { 1329 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 57 and name HA)) 6.0 0.1 0.1 peak 1330 ppm1 1.25 ppm2 5.33 volume 1.69e+07 { 1330 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 57 and name HB#)) 6.0 0.1 0.1 peak 1331 ppm1 1.26 ppm2 1.54 volume 2.94e+08 { 1331 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 57 and name HE#)) 6.0 0.1 0.1 peak 1332 ppm1 1.26 ppm2 2.84 volume 1.45e+07 { 1332 } assi (((resi 51 and name HG2#)) and bondedto ((resi 51 and name CG2))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1333 ppm1 1.25 ppm2 9.32 volume 3.95e+06 { 1333 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 52 and name HA)) 6.0 0.1 0.1 peak 1334 ppm1 5.01 ppm2 4.73 volume 3.83e+08 { 1334 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 52 and name HG2#)) 6.0 0.1 0.1 peak 1335 ppm1 5.01 ppm2 1.57 volume 2.41e+08 { 1335 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 53 and name HB1)) 6.0 0.1 0.1 peak 1336 ppm1 5.01 ppm2 2.21 volume 3.79e+07 { 1336 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 53 and name HN)) 6.0 0.1 0.1 peak 1337 ppm1 5.01 ppm2 8.61 volume 6.12e+06 { 1337 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 72 and name HD*)) 6.0 0.1 0.1 peak 1338 ppm1 5.01 ppm2 1.16 volume 1.16e+07 { 1338 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 1339 ppm1 5.01 ppm2 1.02 volume 4.57e+06 { 1339 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1340 ppm1 5.01 ppm2 3.13 volume 2.64e+07 { 1340 } assi (((resi 52 and name HB)) and bondedto ((resi 52 and name CB))) ((resi 74 and name HB2)) 6.0 0.1 0.1 peak 1341 ppm1 5.01 ppm2 2.74 volume 4.72e+07 { 1341 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 1342 ppm1 1.57 ppm2 0.49 volume 2.06e+07 { 1342 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1343 ppm1 1.57 ppm2 1.90 volume 1.84e+08 { 1343 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1344 ppm1 1.57 ppm2 0.84 volume 1.28e+08 { 1344 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 51 and name HA)) 6.0 0.1 0.1 peak 1345 ppm1 1.57 ppm2 5.62 volume 6.86e+06 { 1345 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 52 and name HB)) 6.0 0.1 0.1 peak 1346 ppm1 1.57 ppm2 5.01 volume 3.72e+07 { 1346 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 52 and name HN)) 6.0 0.1 0.1 peak 1347 ppm1 1.57 ppm2 9.63 volume 3.42e+07 { 1347 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 53 and name HN)) 6.0 0.1 0.1 peak 1348 ppm1 1.57 ppm2 8.58 volume 1.61e+07 { 1348 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1349 ppm1 1.57 ppm2 6.96 volume 2.42e+07 { 1349 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 58 and name HE#)) 6.0 0.1 0.1 peak 1350 ppm1 1.57 ppm2 6.81 volume 4.28e+07 { 1350 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 72 and name HD*)) 6.0 0.1 0.1 peak 1351 ppm1 1.57 ppm2 1.17 volume 3.65e+08 { 1351 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 1352 ppm1 1.57 ppm2 1.00 volume 1.26e+08 { 1352 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 74 and name HA)) 6.0 0.1 0.1 peak 1353 ppm1 1.57 ppm2 5.47 volume 7.92e+06 { 1353 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1354 ppm1 1.57 ppm2 3.11 volume 1.27e+07 { 1354 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 74 and name HB2)) 6.0 0.1 0.1 peak 1355 ppm1 1.57 ppm2 2.77 volume 9.86e+06 { 1355 } assi (((resi 52 and name HG2#)) and bondedto ((resi 52 and name CG2))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1356 ppm1 1.57 ppm2 9.07 volume 1.30e+07 { 1356 } assi (((resi 53 and name HA)) and bondedto ((resi 53 and name CA))) ((resi 53 and name HB1)) 6.0 0.1 0.1 peak 1357 ppm1 4.18 ppm2 2.20 volume 4.35e+08 { 1357 } assi (((resi 53 and name HA)) and bondedto ((resi 53 and name CA))) ((resi 53 and name HG#)) 6.0 0.1 0.1 peak 1358 ppm1 4.18 ppm2 2.38 volume 2.60e+08 { 1358 } assi (((resi 53 and name HA)) and bondedto ((resi 53 and name CA))) ((resi 53 and name HN)) 6.0 0.1 0.1 peak 1359 ppm1 4.18 ppm2 8.59 volume 1.25e+07 { 1359 } assi (((resi 53 and name HB2)) and bondedto ((resi 53 and name CB))) ((resi 53 and name HA)) 6.0 0.1 0.1 peak 1360 ppm1 2.23 ppm2 4.19 volume 1.23e+07 { 1360 } assi (((resi 53 and name HB1)) and bondedto ((resi 53 and name CB))) ((resi 53 and name HN)) 6.0 0.1 0.1 peak 1361 ppm1 2.21 ppm2 8.62 volume 8.55e+06 { 1361 } assi (((resi 53 and name HG#)) and bondedto ((resi 53 and name CG))) ((resi 53 and name HA)) 6.0 0.1 0.1 peak 1362 ppm1 2.39 ppm2 4.18 volume 2.94e+07 { 1362 } assi (((resi 53 and name HG#)) and bondedto ((resi 53 and name CG))) ((resi 53 and name HN)) 6.0 0.1 0.1 peak 1363 ppm1 2.39 ppm2 8.59 volume 8.92e+06 { 1363 } assi (((resi 54 and name HB1)) and bondedto ((resi 54 and name CB))) ((resi 54 and name HA)) 6.0 0.1 0.1 peak 1364 ppm1 2.70 ppm2 4.69 volume 4.72e+07 { 1364 } assi (((resi 54 and name HB2)) and bondedto ((resi 54 and name CB))) ((resi 54 and name HA)) 6.0 0.1 0.1 peak 1365 ppm1 2.88 ppm2 4.70 volume 4.74e+07 { 1365 } assi (((resi 54 and name HB2)) and bondedto ((resi 54 and name CB))) ((resi 54 and name HB1)) 6.0 0.1 0.1 peak 1366 ppm1 2.88 ppm2 2.70 volume 1.27e+09 { 1366 } assi (((resi 54 and name HB1)) and bondedto ((resi 54 and name CB))) ((resi 54 and name HB2)) 6.0 0.1 0.1 peak 1367 ppm1 2.71 ppm2 2.88 volume 1.31e+09 { 1367 } assi (((resi 54 and name HB1)) and bondedto ((resi 54 and name CB))) ((resi 54 and name HN)) 6.0 0.1 0.1 peak 1368 ppm1 2.71 ppm2 8.25 volume 3.67e+07 { 1368 } assi (((resi 54 and name HB2)) and bondedto ((resi 54 and name CB))) ((resi 54 and name HN)) 6.0 0.1 0.1 peak 1369 ppm1 2.87 ppm2 8.24 volume 4.14e+07 { 1369 } assi (((resi 55 and name HA1)) and bondedto ((resi 55 and name CA))) ((resi 51 and name HG2#)) 6.0 0.1 0.1 peak 1370 ppm1 4.22 ppm2 1.25 volume 2.12e+07 { 1370 } assi (((resi 55 and name HA2)) and bondedto ((resi 55 and name CA))) ((resi 51 and name HG2#)) 6.0 0.1 0.1 peak 1371 ppm1 3.61 ppm2 1.25 volume 1.96e+07 { 1371 } assi (((resi 55 and name HA2)) and bondedto ((resi 55 and name CA))) ((resi 55 and name HA1)) 6.0 0.1 0.1 peak 1372 ppm1 3.60 ppm2 4.22 volume 1.33e+08 { 1372 } assi (((resi 55 and name HA1)) and bondedto ((resi 55 and name CA))) ((resi 55 and name HA2)) 6.0 0.1 0.1 peak 1373 ppm1 4.23 ppm2 3.60 volume 1.29e+09 { 1373 } assi (((resi 55 and name HA1)) and bondedto ((resi 55 and name CA))) ((resi 55 and name HN)) 6.0 0.1 0.1 peak 1374 ppm1 4.22 ppm2 8.13 volume 3.18e+07 { 1374 } assi (((resi 55 and name HA2)) and bondedto ((resi 55 and name CA))) ((resi 55 and name HN)) 6.0 0.1 0.1 peak 1375 ppm1 3.61 ppm2 8.13 volume 3.47e+07 { 1375 } assi (((resi 55 and name HA1)) and bondedto ((resi 55 and name CA))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1376 ppm1 4.21 ppm2 7.55 volume 1.16e+07 { 1376 } assi (((resi 55 and name HA2)) and bondedto ((resi 55 and name CA))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1377 ppm1 3.61 ppm2 7.55 volume 1.00e+07 { 1377 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 56 and name HB1)) 6.0 0.1 0.1 peak 1378 ppm1 4.22 ppm2 1.91 volume 2.52e+08 { 1378 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 56 and name HB2)) 6.0 0.1 0.1 peak 1379 ppm1 4.22 ppm2 1.55 volume 4.29e+08 { 1379 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 56 and name HG1)) 6.0 0.1 0.1 peak 1380 ppm1 4.22 ppm2 1.31 volume 2.35e+08 { 1380 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 56 and name HG2)) 6.0 0.1 0.1 peak 1381 ppm1 4.22 ppm2 1.19 volume 2.69e+08 { 1381 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1382 ppm1 4.22 ppm2 7.57 volume 1.64e+07 { 1382 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 57 and name HA)) 6.0 0.1 0.1 peak 1383 ppm1 4.22 ppm2 5.31 volume 2.08e+07 { 1383 } assi (((resi 56 and name HA)) and bondedto ((resi 56 and name CA))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1384 ppm1 4.22 ppm2 7.94 volume 8.94e+07 { 1384 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1385 ppm1 1.90 ppm2 4.22 volume 1.13e+08 { 1385 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1386 ppm1 1.56 ppm2 4.22 volume 2.03e+07 { 1386 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HB1)) 6.0 0.1 0.1 peak 1387 ppm1 1.56 ppm2 1.91 volume 5.02e+08 { 1387 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HB2)) 6.0 0.1 0.1 peak 1388 ppm1 1.91 ppm2 1.55 volume 8.57e+08 { 1388 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HG1)) 6.0 0.1 0.1 peak 1389 ppm1 1.92 ppm2 1.32 volume 1.93e+08 { 1389 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HG1)) 6.0 0.1 0.1 peak 1390 ppm1 1.55 ppm2 1.32 volume 3.35e+08 { 1390 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HG2)) 6.0 0.1 0.1 peak 1391 ppm1 1.92 ppm2 1.20 volume 1.45e+08 { 1391 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HG2)) 6.0 0.1 0.1 peak 1392 ppm1 1.56 ppm2 1.19 volume 2.02e+08 { 1392 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1393 ppm1 1.93 ppm2 7.55 volume 1.63e+07 { 1393 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1394 ppm1 1.56 ppm2 7.56 volume 9.55e+06 { 1394 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1395 ppm1 1.93 ppm2 7.92 volume 4.71e+07 { 1395 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1396 ppm1 1.56 ppm2 7.93 volume 9.28e+07 { 1396 } assi (((resi 56 and name HB1)) and bondedto ((resi 56 and name CB))) ((resi 58 and name HE#)) 6.0 0.1 0.1 peak 1397 ppm1 1.91 ppm2 6.80 volume 8.25e+06 { 1397 } assi (((resi 56 and name HB2)) and bondedto ((resi 56 and name CB))) ((resi 58 and name HE#)) 6.0 0.1 0.1 peak 1398 ppm1 1.56 ppm2 6.80 volume 7.22e+06 { 1398 } assi (((resi 56 and name HD#)) and bondedto ((resi 56 and name CD))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1399 ppm1 1.70 ppm2 7.55 volume 6.49e+06 { 1399 } assi (((resi 56 and name HG1)) and bondedto ((resi 56 and name CG))) ((resi 54 and name HB2)) 6.0 0.1 0.1 peak 1400 ppm1 1.33 ppm2 2.91 volume 1.17e+07 { 1400 } assi (((resi 56 and name HG2)) and bondedto ((resi 56 and name CG))) ((resi 54 and name HB2)) 6.0 0.1 0.1 peak 1401 ppm1 1.19 ppm2 2.92 volume 1.38e+07 { 1401 } assi (((resi 56 and name HG1)) and bondedto ((resi 56 and name CG))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1402 ppm1 1.32 ppm2 4.22 volume 1.21e+07 { 1402 } assi (((resi 56 and name HG2)) and bondedto ((resi 56 and name CG))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1403 ppm1 1.19 ppm2 4.22 volume 1.65e+07 { 1403 } assi (((resi 56 and name HG1)) and bondedto ((resi 56 and name CG))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1404 ppm1 1.32 ppm2 7.55 volume 8.20e+06 { 1404 } assi (((resi 56 and name HG2)) and bondedto ((resi 56 and name CG))) ((resi 56 and name HN)) 6.0 0.1 0.1 peak 1405 ppm1 1.19 ppm2 7.56 volume 6.93e+06 { 1405 } assi (((resi 56 and name HG1)) and bondedto ((resi 56 and name CG))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1406 ppm1 1.32 ppm2 7.93 volume 6.50e+06 { 1406 } assi (((resi 56 and name HG2)) and bondedto ((resi 56 and name CG))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1407 ppm1 1.18 ppm2 7.94 volume 5.30e+06 { 1407 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1408 ppm1 5.33 ppm2 1.88 volume 1.23e+07 { 1408 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 51 and name HA)) 6.0 0.1 0.1 peak 1409 ppm1 5.33 ppm2 5.63 volume 2.36e+08 { 1409 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 52 and name HN)) 6.0 0.1 0.1 peak 1410 ppm1 5.33 ppm2 9.62 volume 1.15e+07 { 1410 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1411 ppm1 5.33 ppm2 4.22 volume 7.69e+05 { 1411 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 57 and name HD#)) 6.0 0.1 0.1 peak 1412 ppm1 5.33 ppm2 1.54 volume 4.46e+08 { 1412 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 57 and name HG#)) 6.0 0.1 0.1 peak 1413 ppm1 5.33 ppm2 1.26 volume 3.20e+07 { 1413 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1414 ppm1 5.32 ppm2 7.95 volume 4.13e+06 { 1414 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 58 and name HB2)) 6.0 0.1 0.1 peak 1415 ppm1 5.33 ppm2 2.50 volume 7.18e+06 { 1415 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1416 ppm1 5.34 ppm2 6.99 volume 6.20e+06 { 1416 } assi (((resi 57 and name HA)) and bondedto ((resi 57 and name CA))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1417 ppm1 5.33 ppm2 9.32 volume 5.57e+07 { 1417 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 51 and name HA)) 6.0 0.1 0.1 peak 1418 ppm1 1.55 ppm2 5.63 volume 3.97e+06 { 1418 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 56 and name HA)) 6.0 0.1 0.1 peak 1419 ppm1 1.55 ppm2 4.22 volume 6.35e+06 { 1419 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 57 and name HA)) 6.0 0.1 0.1 peak 1420 ppm1 1.54 ppm2 5.33 volume 1.99e+07 { 1420 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 57 and name HE#)) 6.0 0.1 0.1 peak 1421 ppm1 1.54 ppm2 2.84 volume 1.02e+07 { 1421 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 57 and name HG#)) 6.0 0.1 0.1 peak 1422 ppm1 1.54 ppm2 1.28 volume 8.97e+08 { 1422 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1423 ppm1 1.54 ppm2 7.94 volume 2.09e+07 { 1423 } assi (((resi 57 and name HB#)) and bondedto ((resi 57 and name CB))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1424 ppm1 1.55 ppm2 9.32 volume 7.74e+06 { 1424 } assi (((resi 57 and name HD#)) and bondedto ((resi 57 and name CD))) ((resi 57 and name HA)) 6.0 0.1 0.1 peak 1425 ppm1 1.54 ppm2 5.33 volume 6.29e+06 { 1425 } assi (((resi 57 and name HD#)) and bondedto ((resi 57 and name CD))) ((resi 57 and name HE#)) 6.0 0.1 0.1 peak 1426 ppm1 1.55 ppm2 2.85 volume 4.89e+07 { 1426 } assi (((resi 57 and name HD#)) and bondedto ((resi 57 and name CD))) ((resi 57 and name HG#)) 6.0 0.1 0.1 peak 1427 ppm1 1.55 ppm2 1.28 volume 1.61e+09 { 1427 } assi (((resi 57 and name HD#)) and bondedto ((resi 57 and name CD))) ((resi 57 and name HN)) 6.0 0.1 0.1 peak 1428 ppm1 1.54 ppm2 7.94 volume 5.34e+06 { 1428 } assi (((resi 57 and name HD#)) and bondedto ((resi 57 and name CD))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1429 ppm1 1.54 ppm2 9.33 volume 3.42e+06 { 1429 } assi (((resi 57 and name HD#)) and bondedto ((resi 57 and name CD))) ((resi 59 and name HG2#)) 6.0 0.1 0.1 peak 1430 ppm1 1.55 ppm2 0.91 volume 1.29e+08 { 1430 } assi (((resi 57 and name HG#)) and bondedto ((resi 57 and name CG))) ((resi 57 and name HA)) 6.0 0.1 0.1 peak 1431 ppm1 1.27 ppm2 5.34 volume 1.23e+07 { 1431 } assi (((resi 57 and name HG#)) and bondedto ((resi 57 and name CG))) ((resi 57 and name HD#)) 6.0 0.1 0.1 peak 1432 ppm1 1.28 ppm2 1.56 volume 2.24e+09 { 1432 } assi (((resi 57 and name HG#)) and bondedto ((resi 57 and name CG))) ((resi 57 and name HE#)) 6.0 0.1 0.1 peak 1433 ppm1 1.27 ppm2 2.85 volume 1.66e+07 { 1433 } assi (((resi 57 and name HG#)) and bondedto ((resi 57 and name CG))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1434 ppm1 1.28 ppm2 9.32 volume 6.03e+06 { 1434 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1435 ppm1 2.74 ppm2 1.89 volume 6.50e+07 { 1435 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1436 ppm1 2.50 ppm2 1.89 volume 7.34e+06 { 1436 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1437 ppm1 2.75 ppm2 0.82 volume 1.29e+08 { 1437 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1438 ppm1 2.51 ppm2 0.82 volume 1.21e+07 { 1438 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HA)) 6.0 0.1 0.1 peak 1439 ppm1 2.74 ppm2 4.68 volume 1.25e+07 { 1439 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HA)) 6.0 0.1 0.1 peak 1440 ppm1 2.50 ppm2 4.68 volume 1.01e+07 { 1440 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HB1)) 6.0 0.1 0.1 peak 1441 ppm1 2.51 ppm2 2.75 volume 2.80e+08 { 1441 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HB2)) 6.0 0.1 0.1 peak 1442 ppm1 2.74 ppm2 2.52 volume 4.35e+08 { 1442 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1443 ppm1 2.75 ppm2 6.96 volume 1.98e+07 { 1443 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1444 ppm1 2.51 ppm2 6.97 volume 1.63e+07 { 1444 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1445 ppm1 2.75 ppm2 9.31 volume 4.05e+06 { 1445 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 58 and name HN)) 6.0 0.1 0.1 peak 1446 ppm1 2.51 ppm2 9.32 volume 5.61e+06 { 1446 } assi (((resi 58 and name HB1)) and bondedto ((resi 58 and name CB))) ((resi 59 and name HN)) 6.0 0.1 0.1 peak 1447 ppm1 2.74 ppm2 8.54 volume 4.18e+06 { 1447 } assi (((resi 58 and name HB2)) and bondedto ((resi 58 and name CB))) ((resi 59 and name HN)) 6.0 0.1 0.1 peak 1448 ppm1 2.51 ppm2 8.53 volume 3.23e+06 { 1448 } assi (((resi 59 and name HB)) and bondedto ((resi 59 and name CB))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1449 ppm1 1.98 ppm2 2.85 volume 3.79e+06 { 1449 } assi (((resi 59 and name HB)) and bondedto ((resi 59 and name CB))) ((resi 50 and name HN)) 6.0 0.1 0.1 peak 1450 ppm1 1.97 ppm2 9.59 volume 1.80e+07 { 1450 } assi (((resi 59 and name HB)) and bondedto ((resi 59 and name CB))) ((resi 59 and name HG1#)) 6.0 0.1 0.1 peak 1451 ppm1 1.96 ppm2 0.83 volume 7.56e+08 { 1451 } assi (((resi 59 and name HB)) and bondedto ((resi 59 and name CB))) ((resi 59 and name HG2#)) 6.0 0.1 0.1 peak 1452 ppm1 1.96 ppm2 0.90 volume 8.18e+08 { 1452 } assi (((resi 59 and name HB)) and bondedto ((resi 59 and name CB))) ((resi 59 and name HN)) 6.0 0.1 0.1 peak 1453 ppm1 1.96 ppm2 8.54 volume 2.51e+07 { 1453 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 1454 ppm1 0.82 ppm2 2.83 volume 5.37e+07 { 1454 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 1455 ppm1 0.82 ppm2 5.15 volume 1.90e+07 { 1455 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 49 and name HG1)) 6.0 0.1 0.1 peak 1456 ppm1 0.82 ppm2 2.15 volume 1.96e+08 { 1456 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 59 and name HA)) 6.0 0.1 0.1 peak 1457 ppm1 0.82 ppm2 4.81 volume 5.31e+07 { 1457 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 59 and name HB)) 6.0 0.1 0.1 peak 1458 ppm1 0.82 ppm2 1.95 volume 1.06e+09 { 1458 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 59 and name HN)) 6.0 0.1 0.1 peak 1459 ppm1 0.82 ppm2 8.54 volume 1.59e+07 { 1459 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 60 and name HG2#)) 6.0 0.1 0.1 peak 1460 ppm1 0.85 ppm2 0.40 volume 3.58e+08 { 1460 } assi (((resi 59 and name HG1#)) and bondedto ((resi 59 and name CG1))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1461 ppm1 0.82 ppm2 8.96 volume 3.76e+07 { 1461 } assi (((resi 59 and name HG2#)) and bondedto ((resi 59 and name CG2))) ((resi 49 and name HG1)) 6.0 0.1 0.1 peak 1462 ppm1 0.92 ppm2 2.15 volume 1.58e+08 { 1462 } assi (((resi 59 and name HG2#)) and bondedto ((resi 59 and name CG2))) ((resi 59 and name HB)) 6.0 0.1 0.1 peak 1463 ppm1 0.92 ppm2 1.96 volume 9.45e+08 { 1463 } assi (((resi 59 and name HG2#)) and bondedto ((resi 59 and name CG2))) ((resi 59 and name HN)) 6.0 0.1 0.1 peak 1464 ppm1 0.92 ppm2 8.54 volume 4.10e+07 { 1464 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 59 and name HG1#)) 6.0 0.1 0.1 peak 1465 ppm1 1.60 ppm2 0.81 volume 1.00e+09 { 1465 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 60 and name HA)) 6.0 0.1 0.1 peak 1466 ppm1 1.60 ppm2 4.62 volume 1.44e+07 { 1466 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 60 and name HG11)) 6.0 0.1 0.1 peak 1467 ppm1 1.60 ppm2 1.29 volume 2.60e+08 { 1467 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 60 and name HG2#)) 6.0 0.1 0.1 peak 1468 ppm1 1.59 ppm2 0.41 volume 2.00e+08 { 1468 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1469 ppm1 1.58 ppm2 8.95 volume 1.12e+07 { 1469 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 61 and name HA)) 6.0 0.1 0.1 peak 1470 ppm1 1.61 ppm2 5.11 volume 4.19e+06 { 1470 } assi (((resi 60 and name HB)) and bondedto ((resi 60 and name CB))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1471 ppm1 1.59 ppm2 9.43 volume 9.23e+06 { 1471 } assi (((resi 60 and name HG12)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HA)) 6.0 0.1 0.1 peak 1472 ppm1 0.85 ppm2 4.64 volume 5.68e+06 { 1472 } assi (((resi 60 and name HG11)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HB)) 6.0 0.1 0.1 peak 1473 ppm1 1.27 ppm2 1.60 volume 3.05e+08 { 1473 } assi (((resi 60 and name HG12)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HB)) 6.0 0.1 0.1 peak 1474 ppm1 0.84 ppm2 1.61 volume 1.52e+08 { 1474 } assi (((resi 60 and name HG12)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HG11)) 6.0 0.1 0.1 peak 1475 ppm1 0.84 ppm2 1.27 volume 3.51e+08 { 1475 } assi (((resi 60 and name HG11)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HG12)) 6.0 0.1 0.1 peak 1476 ppm1 1.27 ppm2 0.83 volume 4.92e+08 { 1476 } assi (((resi 60 and name HG11)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HG2#)) 6.0 0.1 0.1 peak 1477 ppm1 1.27 ppm2 0.41 volume 2.67e+08 { 1477 } assi (((resi 60 and name HG12)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HG2#)) 6.0 0.1 0.1 peak 1478 ppm1 0.84 ppm2 0.41 volume 2.55e+07 { 1478 } assi (((resi 60 and name HG11)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1479 ppm1 1.28 ppm2 8.95 volume 7.82e+06 { 1479 } assi (((resi 60 and name HG12)) and bondedto ((resi 60 and name CG1))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1480 ppm1 0.84 ppm2 8.95 volume 1.07e+07 { 1480 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 1481 ppm1 0.42 ppm2 -0.18 volume 1.38e+07 { 1481 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 50 and name HB)) 6.0 0.1 0.1 peak 1482 ppm1 0.42 ppm2 1.90 volume 9.95e+06 { 1482 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1483 ppm1 0.42 ppm2 0.07 volume 4.91e+07 { 1483 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 58 and name HB1)) 6.0 0.1 0.1 peak 1484 ppm1 0.42 ppm2 2.75 volume 3.28e+07 { 1484 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 58 and name HB2)) 6.0 0.1 0.1 peak 1485 ppm1 0.42 ppm2 2.51 volume 1.07e+07 { 1485 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1486 ppm1 0.41 ppm2 6.94 volume 2.47e+07 { 1486 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 60 and name HA)) 6.0 0.1 0.1 peak 1487 ppm1 0.41 ppm2 4.65 volume 8.61e+06 { 1487 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 60 and name HB)) 6.0 0.1 0.1 peak 1488 ppm1 0.42 ppm2 1.60 volume 5.18e+07 { 1488 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 60 and name HG11)) 6.0 0.1 0.1 peak 1489 ppm1 0.42 ppm2 1.27 volume 5.25e+07 { 1489 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 60 and name HG12)) 6.0 0.1 0.1 peak 1490 ppm1 0.42 ppm2 0.85 volume 8.06e+07 { 1490 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 60 and name HN)) 6.0 0.1 0.1 peak 1491 ppm1 0.42 ppm2 8.96 volume 1.04e+07 { 1491 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 61 and name HA)) 6.0 0.1 0.1 peak 1492 ppm1 0.41 ppm2 5.11 volume 4.26e+06 { 1492 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1493 ppm1 0.41 ppm2 9.41 volume 2.86e+07 { 1493 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1494 ppm1 0.42 ppm2 0.73 volume 1.08e+08 { 1494 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 66 and name HB)) 6.0 0.1 0.1 peak 1495 ppm1 0.41 ppm2 2.02 volume 5.69e+06 { 1495 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 1496 ppm1 0.42 ppm2 -0.03 volume 2.46e+08 { 1496 } assi (((resi 60 and name HG2#)) and bondedto ((resi 60 and name CG2))) ((resi 68 and name HZ)) 6.0 0.1 0.1 peak 1497 ppm1 0.42 ppm2 6.58 volume 2.58e+07 { 1497 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 1498 ppm1 5.11 ppm2 0.70 volume 3.22e+07 { 1498 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 47 and name HG2)) 6.0 0.1 0.1 peak 1499 ppm1 5.10 ppm2 1.41 volume 4.36e+07 { 1499 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 48 and name HN)) 6.0 0.1 0.1 peak 1500 ppm1 5.10 ppm2 9.33 volume 1.38e+07 { 1500 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 60 and name HB)) 6.0 0.1 0.1 peak 1501 ppm1 5.11 ppm2 1.61 volume 5.79e+07 { 1501 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 60 and name HD1#)) 6.0 0.1 0.1 peak 1502 ppm1 5.11 ppm2 0.57 volume 5.86e+07 { 1502 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 60 and name HG12)) 6.0 0.1 0.1 peak 1503 ppm1 5.10 ppm2 0.86 volume 3.17e+07 { 1503 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 61 and name HB2)) 6.0 0.1 0.1 peak 1504 ppm1 5.10 ppm2 2.04 volume 4.66e+08 { 1504 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1505 ppm1 5.10 ppm2 9.44 volume 1.36e+07 { 1505 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 62 and name HB#)) 6.0 0.1 0.1 peak 1506 ppm1 5.10 ppm2 1.78 volume 1.84e+08 { 1506 } assi (((resi 61 and name HA)) and bondedto ((resi 61 and name CA))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1507 ppm1 5.10 ppm2 7.37 volume 4.66e+07 { 1507 } assi (((resi 61 and name HB1)) and bondedto ((resi 61 and name CB))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1508 ppm1 2.06 ppm2 9.43 volume 3.92e+07 { 1508 } assi (((resi 61 and name HB2)) and bondedto ((resi 61 and name CB))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1509 ppm1 2.01 ppm2 9.44 volume 2.89e+07 { 1509 } assi (((resi 61 and name HB2)) and bondedto ((resi 61 and name CB))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1510 ppm1 2.03 ppm2 7.37 volume 1.32e+07 { 1510 } assi (((resi 61 and name HG1)) and bondedto ((resi 61 and name CG))) ((resi 61 and name HA)) 6.0 0.1 0.1 peak 1511 ppm1 2.19 ppm2 5.10 volume 9.92e+06 { 1511 } assi (((resi 61 and name HG2)) and bondedto ((resi 61 and name CG))) ((resi 61 and name HA)) 6.0 0.1 0.1 peak 1512 ppm1 2.12 ppm2 5.10 volume 1.13e+07 { 1512 } assi (((resi 61 and name HG1)) and bondedto ((resi 61 and name CG))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1513 ppm1 2.20 ppm2 9.43 volume 7.39e+06 { 1513 } assi (((resi 61 and name HG2)) and bondedto ((resi 61 and name CG))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1514 ppm1 2.12 ppm2 9.43 volume 6.74e+06 { 1514 } assi (((resi 61 and name HG1)) and bondedto ((resi 61 and name CG))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1515 ppm1 2.20 ppm2 7.38 volume 6.46e+06 { 1515 } assi (((resi 61 and name HG2)) and bondedto ((resi 61 and name CG))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1516 ppm1 2.13 ppm2 7.37 volume 5.93e+06 { 1516 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1517 ppm1 3.54 ppm2 0.56 volume 2.92e+07 { 1517 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 45 and name HG#)) 6.0 0.1 0.1 peak 1518 ppm1 3.54 ppm2 2.25 volume 1.05e+07 { 1518 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 62 and name HB#)) 6.0 0.1 0.1 peak 1519 ppm1 3.53 ppm2 1.77 volume 3.49e+07 { 1519 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1520 ppm1 3.54 ppm2 1.45 volume 1.47e+07 { 1520 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1521 ppm1 3.52 ppm2 1.20 volume 1.39e+07 { 1521 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1522 ppm1 3.53 ppm2 7.37 volume 1.42e+07 { 1522 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1523 ppm1 3.53 ppm2 9.04 volume 3.92e+07 { 1523 } assi (((resi 62 and name HA)) and bondedto ((resi 62 and name CA))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1524 ppm1 3.53 ppm2 8.07 volume 6.74e+06 { 1524 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 7 and name HG1)) 6.0 0.1 0.1 peak 1525 ppm1 1.78 ppm2 1.50 volume 4.14e+08 { 1525 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 1526 ppm1 1.77 ppm2 0.56 volume 6.83e+06 { 1526 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1527 ppm1 1.77 ppm2 4.42 volume 1.56e+07 { 1527 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1528 ppm1 1.79 ppm2 8.63 volume 7.85e+06 { 1528 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 61 and name HA)) 6.0 0.1 0.1 peak 1529 ppm1 1.76 ppm2 5.11 volume 6.24e+06 { 1529 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1530 ppm1 1.78 ppm2 3.52 volume 1.62e+07 { 1530 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1531 ppm1 1.77 ppm2 1.21 volume 2.61e+08 { 1531 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1532 ppm1 1.77 ppm2 3.15 volume 1.05e+08 { 1532 } assi (((resi 62 and name HB#)) and bondedto ((resi 62 and name CB))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1533 ppm1 1.78 ppm2 7.37 volume 3.01e+07 { 1533 } assi (((resi 62 and name HD1)) and bondedto ((resi 62 and name CD))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1534 ppm1 1.46 ppm2 4.42 volume 5.94e+07 { 1534 } assi (((resi 62 and name HD1)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1535 ppm1 1.45 ppm2 3.52 volume 8.96e+07 { 1535 } assi (((resi 62 and name HD2)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1536 ppm1 1.21 ppm2 3.52 volume 6.77e+06 { 1536 } assi (((resi 62 and name HD1)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HB#)) 6.0 0.1 0.1 peak 1537 ppm1 1.47 ppm2 1.78 volume 4.86e+08 { 1537 } assi (((resi 62 and name HD2)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1538 ppm1 1.21 ppm2 1.46 volume 4.86e+08 { 1538 } assi (((resi 62 and name HD1)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1539 ppm1 1.47 ppm2 1.21 volume 3.98e+08 { 1539 } assi (((resi 62 and name HD1)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1540 ppm1 1.46 ppm2 3.12 volume 9.80e+07 { 1540 } assi (((resi 62 and name HD2)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1541 ppm1 1.20 ppm2 3.12 volume 1.78e+07 { 1541 } assi (((resi 62 and name HD1)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1542 ppm1 1.47 ppm2 7.37 volume 1.50e+07 { 1542 } assi (((resi 62 and name HD2)) and bondedto ((resi 62 and name CD))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1543 ppm1 1.23 ppm2 7.38 volume 1.47e+07 { 1543 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1544 ppm1 3.12 ppm2 4.42 volume 8.08e+07 { 1544 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 45 and name HG#)) 6.0 0.1 0.1 peak 1545 ppm1 3.12 ppm2 2.25 volume 3.12e+07 { 1545 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1546 ppm1 3.12 ppm2 3.51 volume 5.86e+07 { 1546 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 62 and name HB#)) 6.0 0.1 0.1 peak 1547 ppm1 3.12 ppm2 1.78 volume 7.74e+08 { 1547 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1548 ppm1 3.12 ppm2 1.46 volume 2.94e+08 { 1548 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1549 ppm1 3.12 ppm2 1.21 volume 2.92e+08 { 1549 } assi (((resi 62 and name HE#)) and bondedto ((resi 62 and name CE))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1550 ppm1 3.12 ppm2 7.37 volume 1.16e+07 { 1550 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1551 ppm1 1.82 ppm2 4.42 volume 1.24e+07 { 1551 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 45 and name HA)) 6.0 0.1 0.1 peak 1552 ppm1 1.77 ppm2 4.42 volume 1.28e+07 { 1552 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1553 ppm1 1.83 ppm2 8.64 volume 3.47e+06 { 1553 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 1554 ppm1 1.76 ppm2 8.66 volume 3.85e+06 { 1554 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1555 ppm1 1.84 ppm2 3.51 volume 4.62e+06 { 1555 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HA)) 6.0 0.1 0.1 peak 1556 ppm1 1.76 ppm2 3.52 volume 5.34e+06 { 1556 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1557 ppm1 1.83 ppm2 1.46 volume 2.51e+08 { 1557 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1558 ppm1 1.76 ppm2 1.46 volume 2.61e+08 { 1558 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1559 ppm1 1.84 ppm2 1.21 volume 2.69e+08 { 1559 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1560 ppm1 1.74 ppm2 1.20 volume 2.36e+08 { 1560 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1561 ppm1 1.83 ppm2 3.12 volume 2.69e+07 { 1561 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HE#)) 6.0 0.1 0.1 peak 1562 ppm1 1.77 ppm2 3.12 volume 2.48e+07 { 1562 } assi (((resi 62 and name HG1)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1563 ppm1 1.81 ppm2 7.36 volume 4.78e+06 { 1563 } assi (((resi 62 and name HG2)) and bondedto ((resi 62 and name CG))) ((resi 62 and name HN)) 6.0 0.1 0.1 peak 1564 ppm1 1.78 ppm2 7.36 volume 5.53e+06 { 1564 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 1565 ppm1 4.44 ppm2 6.77 volume 1.39e+07 { 1565 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 1566 ppm1 3.69 ppm2 6.75 volume 1.37e+07 { 1566 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 62 and name HB#)) 6.0 0.1 0.1 peak 1567 ppm1 4.43 ppm2 1.78 volume 2.45e+06 { 1567 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 62 and name HB#)) 6.0 0.1 0.1 peak 1568 ppm1 3.67 ppm2 1.78 volume 4.19e+06 { 1568 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1569 ppm1 4.46 ppm2 1.45 volume 3.25e+06 { 1569 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 62 and name HD1)) 6.0 0.1 0.1 peak 1570 ppm1 3.67 ppm2 1.44 volume 5.19e+06 { 1570 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1571 ppm1 4.45 ppm2 1.20 volume 8.34e+06 { 1571 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 62 and name HD2)) 6.0 0.1 0.1 peak 1572 ppm1 3.69 ppm2 1.19 volume 6.59e+06 { 1572 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 63 and name HA1)) 6.0 0.1 0.1 peak 1573 ppm1 3.68 ppm2 4.46 volume 1.11e+09 { 1573 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 63 and name HA2)) 6.0 0.1 0.1 peak 1574 ppm1 4.45 ppm2 3.68 volume 1.14e+09 { 1574 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1575 ppm1 4.44 ppm2 9.04 volume 2.80e+08 { 1575 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 63 and name HN)) 6.0 0.1 0.1 peak 1576 ppm1 3.68 ppm2 9.04 volume 2.96e+08 { 1576 } assi (((resi 63 and name HA1)) and bondedto ((resi 63 and name CA))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1577 ppm1 4.44 ppm2 8.06 volume 1.09e+07 { 1577 } assi (((resi 63 and name HA2)) and bondedto ((resi 63 and name CA))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1578 ppm1 3.69 ppm2 8.07 volume 9.79e+06 { 1578 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 7 and name HA)) 6.0 0.1 0.1 peak 1579 ppm1 5.09 ppm2 5.35 volume 3.40e+06 { 1579 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 7 and name HD2)) 6.0 0.1 0.1 peak 1580 ppm1 5.10 ppm2 1.86 volume 2.14e+07 { 1580 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 7 and name HG1)) 6.0 0.1 0.1 peak 1581 ppm1 5.08 ppm2 1.48 volume 1.85e+06 { 1581 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 7 and name HG2)) 6.0 0.1 0.1 peak 1582 ppm1 5.08 ppm2 1.59 volume 9.92e+05 { 1582 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 1583 ppm1 5.11 ppm2 3.94 volume 3.71e+07 { 1583 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 8 and name HG1)) 6.0 0.1 0.1 peak 1584 ppm1 5.09 ppm2 2.08 volume 5.06e+06 { 1584 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 64 and name HB1)) 6.0 0.1 0.1 peak 1585 ppm1 5.09 ppm2 2.29 volume 1.86e+07 { 1585 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 64 and name HB2)) 6.0 0.1 0.1 peak 1586 ppm1 5.10 ppm2 2.76 volume 7.14e+06 { 1586 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1587 ppm1 5.09 ppm2 8.07 volume 1.49e+07 { 1587 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 1588 ppm1 5.09 ppm2 1.16 volume 1.41e+06 { 1588 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1589 ppm1 5.09 ppm2 0.79 volume 1.12e+07 { 1589 } assi (((resi 64 and name HA)) and bondedto ((resi 64 and name CA))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1590 ppm1 5.09 ppm2 9.16 volume 5.53e+07 { 1590 } assi (((resi 64 and name HB1)) and bondedto ((resi 64 and name CB))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1591 ppm1 2.29 ppm2 9.45 volume 4.56e+06 { 1591 } assi (((resi 64 and name HB2)) and bondedto ((resi 64 and name CB))) ((resi 61 and name HN)) 6.0 0.1 0.1 peak 1592 ppm1 2.78 ppm2 9.43 volume 2.27e+06 { 1592 } assi (((resi 64 and name HB1)) and bondedto ((resi 64 and name CB))) ((resi 64 and name HA)) 6.0 0.1 0.1 peak 1593 ppm1 2.30 ppm2 5.09 volume 1.16e+07 { 1593 } assi (((resi 64 and name HB2)) and bondedto ((resi 64 and name CB))) ((resi 64 and name HA)) 6.0 0.1 0.1 peak 1594 ppm1 2.78 ppm2 5.09 volume 1.04e+07 { 1594 } assi (((resi 64 and name HB2)) and bondedto ((resi 64 and name CB))) ((resi 64 and name HB1)) 6.0 0.1 0.1 peak 1595 ppm1 2.78 ppm2 2.29 volume 3.37e+08 { 1595 } assi (((resi 64 and name HB1)) and bondedto ((resi 64 and name CB))) ((resi 64 and name HB2)) 6.0 0.1 0.1 peak 1596 ppm1 2.30 ppm2 2.78 volume 3.00e+08 { 1596 } assi (((resi 64 and name HB1)) and bondedto ((resi 64 and name CB))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1597 ppm1 2.30 ppm2 8.07 volume 1.24e+07 { 1597 } assi (((resi 64 and name HB2)) and bondedto ((resi 64 and name CB))) ((resi 64 and name HN)) 6.0 0.1 0.1 peak 1598 ppm1 2.78 ppm2 8.07 volume 1.45e+07 { 1598 } assi (((resi 64 and name HB1)) and bondedto ((resi 64 and name CB))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1599 ppm1 2.30 ppm2 0.78 volume 2.43e+07 { 1599 } assi (((resi 64 and name HB2)) and bondedto ((resi 64 and name CB))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1600 ppm1 2.78 ppm2 0.78 volume 2.03e+08 { 1600 } assi (((resi 64 and name HB1)) and bondedto ((resi 64 and name CB))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1601 ppm1 2.29 ppm2 9.16 volume 6.58e+06 { 1601 } assi (((resi 64 and name HB2)) and bondedto ((resi 64 and name CB))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1602 ppm1 2.77 ppm2 9.15 volume 5.47e+06 { 1602 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 8 and name HG1)) 6.0 0.1 0.1 peak 1603 ppm1 5.67 ppm2 2.03 volume 8.28e+06 { 1603 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 42 and name HA)) 6.0 0.1 0.1 peak 1604 ppm1 5.67 ppm2 5.88 volume 1.24e+07 { 1604 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 42 and name HB2)) 6.0 0.1 0.1 peak 1605 ppm1 5.67 ppm2 2.71 volume 6.48e+06 { 1605 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1606 ppm1 5.66 ppm2 6.86 volume 9.16e+06 { 1606 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 1607 ppm1 5.67 ppm2 1.15 volume 9.72e+06 { 1607 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 65 and name HB2)) 6.0 0.1 0.1 peak 1608 ppm1 5.67 ppm2 2.12 volume 8.13e+06 { 1608 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1609 ppm1 5.66 ppm2 0.78 volume 1.25e+07 { 1609 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1610 ppm1 5.67 ppm2 0.94 volume 2.56e+07 { 1610 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 65 and name HG)) 6.0 0.1 0.1 peak 1611 ppm1 5.67 ppm2 1.50 volume 8.58e+06 { 1611 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1612 ppm1 5.64 ppm2 9.16 volume 5.01e+06 { 1612 } assi (((resi 65 and name HA)) and bondedto ((resi 65 and name CA))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1613 ppm1 5.66 ppm2 9.75 volume 2.75e+06 { 1613 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 1614 ppm1 1.15 ppm2 3.94 volume 4.03e+06 { 1614 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 1615 ppm1 2.13 ppm2 3.95 volume 4.48e+06 { 1615 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 1616 ppm1 1.15 ppm2 4.49 volume 3.36e+06 { 1616 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 1617 ppm1 2.14 ppm2 4.50 volume 3.93e+06 { 1617 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1618 ppm1 1.15 ppm2 6.85 volume 4.52e+06 { 1618 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1619 ppm1 2.14 ppm2 6.84 volume 3.72e+06 { 1619 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1620 ppm1 1.15 ppm2 5.67 volume 5.52e+06 { 1620 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1621 ppm1 2.13 ppm2 5.66 volume 5.56e+06 { 1621 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 1622 ppm1 2.14 ppm2 1.14 volume 2.02e+07 { 1622 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HB2)) 6.0 0.1 0.1 peak 1623 ppm1 1.15 ppm2 2.12 volume 2.57e+07 { 1623 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1624 ppm1 1.15 ppm2 0.77 volume 1.37e+07 { 1624 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1625 ppm1 2.13 ppm2 0.78 volume 1.97e+07 { 1625 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1626 ppm1 1.16 ppm2 0.95 volume 6.52e+06 { 1626 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1627 ppm1 2.13 ppm2 0.94 volume 1.21e+07 { 1627 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HG)) 6.0 0.1 0.1 peak 1628 ppm1 1.15 ppm2 1.51 volume 7.05e+06 { 1628 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HG)) 6.0 0.1 0.1 peak 1629 ppm1 2.13 ppm2 1.51 volume 9.65e+06 { 1629 } assi (((resi 65 and name HB1)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1630 ppm1 1.15 ppm2 9.16 volume 8.71e+06 { 1630 } assi (((resi 65 and name HB2)) and bondedto ((resi 65 and name CB))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1631 ppm1 2.13 ppm2 9.16 volume 1.00e+07 { 1631 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 8 and name HB1)) 6.0 0.1 0.1 peak 1632 ppm1 0.78 ppm2 2.07 volume 3.93e+08 { 1632 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 8 and name HD1)) 6.0 0.1 0.1 peak 1633 ppm1 0.78 ppm2 3.94 volume 8.85e+06 { 1633 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 8 and name HD2)) 6.0 0.1 0.1 peak 1634 ppm1 0.78 ppm2 4.51 volume 6.45e+06 { 1634 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 12 and name HE2)) 6.0 0.1 0.1 peak 1635 ppm1 0.78 ppm2 2.84 volume 1.42e+07 { 1635 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 1636 ppm1 0.78 ppm2 0.06 volume 1.41e+07 { 1636 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1637 ppm1 0.78 ppm2 6.86 volume 5.80e+06 { 1637 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1638 ppm1 0.78 ppm2 5.67 volume 8.52e+06 { 1638 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 65 and name HB1)) 6.0 0.1 0.1 peak 1639 ppm1 0.78 ppm2 1.15 volume 2.61e+08 { 1639 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 65 and name HN)) 6.0 0.1 0.1 peak 1640 ppm1 0.78 ppm2 9.16 volume 8.44e+06 { 1640 } assi (((resi 65 and name HD1#)) and bondedto ((resi 65 and name CD1))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1641 ppm1 0.79 ppm2 9.75 volume 3.93e+05 { 1641 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 13 and name HD2#)) 6.0 0.1 0.1 peak 1642 ppm1 0.95 ppm2 0.05 volume 2.29e+07 { 1642 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 1643 ppm1 0.95 ppm2 -0.05 volume 3.13e+07 { 1643 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 40 and name HG2#)) 6.0 0.1 0.1 peak 1644 ppm1 0.95 ppm2 1.48 volume 6.47e+08 { 1644 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 42 and name HA)) 6.0 0.1 0.1 peak 1645 ppm1 0.95 ppm2 5.88 volume 1.58e+07 { 1645 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 42 and name HB1)) 6.0 0.1 0.1 peak 1646 ppm1 0.95 ppm2 2.90 volume 2.61e+07 { 1646 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 42 and name HB2)) 6.0 0.1 0.1 peak 1647 ppm1 0.95 ppm2 2.74 volume 1.42e+07 { 1647 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 1648 ppm1 0.95 ppm2 6.86 volume 3.15e+07 { 1648 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 1649 ppm1 0.95 ppm2 6.73 volume 8.15e+06 { 1649 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1650 ppm1 0.95 ppm2 5.67 volume 3.10e+07 { 1650 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 65 and name HB2)) 6.0 0.1 0.1 peak 1651 ppm1 0.95 ppm2 2.10 volume 2.44e+07 { 1651 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1652 ppm1 0.95 ppm2 0.78 volume 6.06e+08 { 1652 } assi (((resi 65 and name HD2#)) and bondedto ((resi 65 and name CD2))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1653 ppm1 0.95 ppm2 9.73 volume 1.55e+07 { 1653 } assi (((resi 65 and name HG)) and bondedto ((resi 65 and name CG))) ((resi 6 and name HB#)) 6.0 0.1 0.1 peak 1654 ppm1 1.54 ppm2 2.07 volume 9.42e+07 { 1654 } assi (((resi 65 and name HG)) and bondedto ((resi 65 and name CG))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1655 ppm1 1.52 ppm2 5.68 volume 4.84e+06 { 1655 } assi (((resi 65 and name HG)) and bondedto ((resi 65 and name CG))) ((resi 65 and name HB2)) 6.0 0.1 0.1 peak 1656 ppm1 1.54 ppm2 2.15 volume 9.86e+07 { 1656 } assi (((resi 65 and name HG)) and bondedto ((resi 65 and name CG))) ((resi 65 and name HD1#)) 6.0 0.1 0.1 peak 1657 ppm1 1.53 ppm2 0.77 volume 3.86e+08 { 1657 } assi (((resi 65 and name HG)) and bondedto ((resi 65 and name CG))) ((resi 65 and name HD2#)) 6.0 0.1 0.1 peak 1658 ppm1 1.54 ppm2 0.95 volume 1.58e+08 { 1658 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 4 and name HG2)) 6.0 0.1 0.1 peak 1659 ppm1 5.06 ppm2 1.29 volume 4.60e+07 { 1659 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 5 and name HA)) 6.0 0.1 0.1 peak 1660 ppm1 5.05 ppm2 4.55 volume 1.31e+08 { 1660 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 1661 ppm1 5.05 ppm2 9.17 volume 8.76e+06 { 1661 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 66 and name HB)) 6.0 0.1 0.1 peak 1662 ppm1 5.05 ppm2 2.04 volume 5.54e+07 { 1662 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 1663 ppm1 5.05 ppm2 0.78 volume 2.44e+08 { 1663 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 1664 ppm1 5.05 ppm2 -0.01 volume 2.27e+08 { 1664 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1665 ppm1 5.05 ppm2 9.75 volume 7.69e+05 { 1665 } assi (((resi 66 and name HA)) and bondedto ((resi 66 and name CA))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 1666 ppm1 5.05 ppm2 8.94 volume 3.91e+07 { 1666 } assi (((resi 66 and name HB)) and bondedto ((resi 66 and name CB))) ((resi 66 and name HA)) 6.0 0.1 0.1 peak 1667 ppm1 2.04 ppm2 5.08 volume 2.72e+07 { 1667 } assi (((resi 66 and name HB)) and bondedto ((resi 66 and name CB))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 1668 ppm1 2.04 ppm2 0.78 volume 4.22e+08 { 1668 } assi (((resi 66 and name HB)) and bondedto ((resi 66 and name CB))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 1669 ppm1 2.03 ppm2 -0.01 volume 2.86e+07 { 1669 } assi (((resi 66 and name HB)) and bondedto ((resi 66 and name CB))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1670 ppm1 2.04 ppm2 9.75 volume 1.06e+06 { 1670 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 3 and name HB)) 6.0 0.1 0.1 peak 1671 ppm1 0.78 ppm2 0.41 volume 2.32e+08 { 1671 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 1672 ppm1 0.78 ppm2 -0.19 volume 9.67e+07 { 1672 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 4 and name HD#)) 6.0 0.1 0.1 peak 1673 ppm1 0.78 ppm2 1.60 volume 1.40e+08 { 1673 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 4 and name HG2)) 6.0 0.1 0.1 peak 1674 ppm1 0.78 ppm2 1.29 volume 1.30e+08 { 1674 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 5 and name HA)) 6.0 0.1 0.1 peak 1675 ppm1 0.78 ppm2 4.56 volume 1.11e+07 { 1675 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 6 and name HN)) 6.0 0.1 0.1 peak 1676 ppm1 0.78 ppm2 9.17 volume 1.12e+07 { 1676 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 58 and name HD#)) 6.0 0.1 0.1 peak 1677 ppm1 0.78 ppm2 6.94 volume 2.23e+07 { 1677 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 64 and name HB1)) 6.0 0.1 0.1 peak 1678 ppm1 0.78 ppm2 2.29 volume 1.76e+08 { 1678 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 64 and name HB2)) 6.0 0.1 0.1 peak 1679 ppm1 0.78 ppm2 2.77 volume 1.86e+07 { 1679 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 65 and name HA)) 6.0 0.1 0.1 peak 1680 ppm1 0.79 ppm2 5.68 volume 7.63e+06 { 1680 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 66 and name HA)) 6.0 0.1 0.1 peak 1681 ppm1 0.78 ppm2 5.06 volume 3.19e+07 { 1681 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 66 and name HB)) 6.0 0.1 0.1 peak 1682 ppm1 0.78 ppm2 2.03 volume 3.41e+08 { 1682 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 1683 ppm1 0.78 ppm2 -0.01 volume 9.17e+07 { 1683 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1684 ppm1 0.78 ppm2 9.75 volume 2.35e+06 { 1684 } assi (((resi 66 and name HG1#)) and bondedto ((resi 66 and name CG1))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 1685 ppm1 0.78 ppm2 8.94 volume 9.63e+06 { 1685 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 3 and name HB)) 6.0 0.1 0.1 peak 1686 ppm1 -0.00 ppm2 0.42 volume 1.19e+09 { 1686 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 1687 ppm1 -0.01 ppm2 -0.17 volume 6.02e+08 { 1687 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 1688 ppm1 -0.01 ppm2 6.94 volume 2.13e+07 { 1688 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 4 and name HD#)) 6.0 0.1 0.1 peak 1689 ppm1 -0.01 ppm2 1.61 volume 7.28e+07 { 1689 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 4 and name HG2)) 6.0 0.1 0.1 peak 1690 ppm1 -0.00 ppm2 1.31 volume 1.57e+08 { 1690 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 1691 ppm1 -0.01 ppm2 7.69 volume 1.78e+07 { 1691 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 5 and name HA)) 6.0 0.1 0.1 peak 1692 ppm1 -0.01 ppm2 4.55 volume 9.37e+06 { 1692 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 66 and name HA)) 6.0 0.1 0.1 peak 1693 ppm1 -0.01 ppm2 5.05 volume 3.57e+07 { 1693 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 66 and name HB)) 6.0 0.1 0.1 peak 1694 ppm1 -0.01 ppm2 2.03 volume 3.77e+08 { 1694 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 66 and name HG1#)) 6.0 0.1 0.1 peak 1695 ppm1 -0.01 ppm2 0.78 volume 7.02e+08 { 1695 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 66 and name HN)) 6.0 0.1 0.1 peak 1696 ppm1 -0.01 ppm2 9.75 volume 3.82e+06 { 1696 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 1697 ppm1 -0.01 ppm2 8.94 volume 2.85e+07 { 1697 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 1698 ppm1 -0.00 ppm2 6.69 volume 8.85e+06 { 1698 } assi (((resi 66 and name HG2#)) and bondedto ((resi 66 and name CG2))) ((resi 68 and name HZ)) 6.0 0.1 0.1 peak 1699 ppm1 -0.01 ppm2 6.58 volume 9.85e+06 { 1699 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 40 and name HA)) 6.0 0.1 0.1 peak 1700 ppm1 5.45 ppm2 6.02 volume 1.84e+07 { 1700 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 40 and name HG2#)) 6.0 0.1 0.1 peak 1701 ppm1 5.46 ppm2 1.45 volume 6.72e+06 { 1701 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 41 and name HN)) 6.0 0.1 0.1 peak 1702 ppm1 5.45 ppm2 10.34 volume 8.07e+06 { 1702 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 67 and name HB)) 6.0 0.1 0.1 peak 1703 ppm1 5.44 ppm2 3.84 volume 6.19e+06 { 1703 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 67 and name HG2#)) 6.0 0.1 0.1 peak 1704 ppm1 5.46 ppm2 1.15 volume 2.22e+07 { 1704 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 1705 ppm1 5.45 ppm2 8.94 volume 5.35e+06 { 1705 } assi (((resi 67 and name HA)) and bondedto ((resi 67 and name CA))) ((resi 68 and name HN)) 6.0 0.1 0.1 peak 1706 ppm1 5.45 ppm2 9.70 volume 3.29e+07 { 1706 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 3 and name HN)) 6.0 0.1 0.1 peak 1707 ppm1 3.85 ppm2 6.96 volume 4.51e+06 { 1707 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 4 and name HB2)) 6.0 0.1 0.1 peak 1708 ppm1 3.84 ppm2 1.75 volume 1.85e+07 { 1708 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 4 and name HD#)) 6.0 0.1 0.1 peak 1709 ppm1 3.84 ppm2 1.60 volume 2.22e+07 { 1709 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 4 and name HN)) 6.0 0.1 0.1 peak 1710 ppm1 3.84 ppm2 7.68 volume 4.67e+06 { 1710 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 66 and name HG2#)) 6.0 0.1 0.1 peak 1711 ppm1 3.85 ppm2 -0.01 volume 6.36e+06 { 1711 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 67 and name HA)) 6.0 0.1 0.1 peak 1712 ppm1 3.84 ppm2 5.46 volume 4.91e+06 { 1712 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 67 and name HG2#)) 6.0 0.1 0.1 peak 1713 ppm1 3.84 ppm2 1.14 volume 3.49e+07 { 1713 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 1714 ppm1 3.85 ppm2 8.94 volume 2.14e+07 { 1714 } assi (((resi 67 and name HB)) and bondedto ((resi 67 and name CB))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 1715 ppm1 3.85 ppm2 6.67 volume 4.58e+06 { 1715 } assi (((resi 67 and name HG2#)) and bondedto ((resi 67 and name CG2))) ((resi 40 and name HA)) 6.0 0.1 0.1 peak 1716 ppm1 1.15 ppm2 6.03 volume 6.63e+06 { 1716 } assi (((resi 67 and name HG2#)) and bondedto ((resi 67 and name CG2))) ((resi 67 and name HA)) 6.0 0.1 0.1 peak 1717 ppm1 1.15 ppm2 5.46 volume 3.09e+07 { 1717 } assi (((resi 67 and name HG2#)) and bondedto ((resi 67 and name CG2))) ((resi 67 and name HB)) 6.0 0.1 0.1 peak 1718 ppm1 1.15 ppm2 3.84 volume 5.84e+07 { 1718 } assi (((resi 67 and name HG2#)) and bondedto ((resi 67 and name CG2))) ((resi 67 and name HN)) 6.0 0.1 0.1 peak 1719 ppm1 1.15 ppm2 8.94 volume 7.36e+06 { 1719 } assi (((resi 67 and name HG2#)) and bondedto ((resi 67 and name CG2))) ((resi 68 and name HN)) 6.0 0.1 0.1 peak 1720 ppm1 1.15 ppm2 9.71 volume 2.40e+07 { 1720 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 1721 ppm1 4.52 ppm2 0.51 volume 8.69e+06 { 1721 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 1722 ppm1 4.53 ppm2 -0.17 volume 2.98e+07 { 1722 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 68 and name HB2)) 6.0 0.1 0.1 peak 1723 ppm1 4.53 ppm2 1.37 volume 1.08e+08 { 1723 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 1724 ppm1 4.52 ppm2 6.70 volume 7.48e+06 { 1724 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1725 ppm1 4.52 ppm2 3.49 volume 2.26e+07 { 1725 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 69 and name HD2)) 6.0 0.1 0.1 peak 1726 ppm1 4.53 ppm2 3.73 volume 2.30e+08 { 1726 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 69 and name HG1)) 6.0 0.1 0.1 peak 1727 ppm1 4.53 ppm2 1.91 volume 8.87e+07 { 1727 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 69 and name HG2)) 6.0 0.1 0.1 peak 1728 ppm1 4.52 ppm2 2.12 volume 1.61e+08 { 1728 } assi (((resi 68 and name HA)) and bondedto ((resi 68 and name CA))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 1729 ppm1 4.53 ppm2 1.03 volume 2.37e+07 { 1729 } assi (((resi 68 and name HB1)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HA)) 6.0 0.1 0.1 peak 1730 ppm1 2.15 ppm2 4.51 volume 3.91e+06 { 1730 } assi (((resi 68 and name HB2)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HA)) 6.0 0.1 0.1 peak 1731 ppm1 1.36 ppm2 4.53 volume 5.65e+06 { 1731 } assi (((resi 68 and name HB2)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HB1)) 6.0 0.1 0.1 peak 1732 ppm1 1.37 ppm2 2.14 volume 1.97e+07 { 1732 } assi (((resi 68 and name HB1)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HB2)) 6.0 0.1 0.1 peak 1733 ppm1 2.16 ppm2 1.37 volume 2.03e+07 { 1733 } assi (((resi 68 and name HB1)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 1734 ppm1 2.15 ppm2 6.70 volume 1.24e+07 { 1734 } assi (((resi 68 and name HB2)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HD#)) 6.0 0.1 0.1 peak 1735 ppm1 1.37 ppm2 6.70 volume 1.30e+07 { 1735 } assi (((resi 68 and name HB1)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HN)) 6.0 0.1 0.1 peak 1736 ppm1 2.15 ppm2 9.70 volume 4.77e+06 { 1736 } assi (((resi 68 and name HB2)) and bondedto ((resi 68 and name CB))) ((resi 68 and name HN)) 6.0 0.1 0.1 peak 1737 ppm1 1.38 ppm2 9.70 volume 3.80e+06 { 1737 } assi (((resi 69 and name HB1)) and bondedto ((resi 69 and name CB))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1738 ppm1 2.07 ppm2 4.65 volume 1.69e+08 { 1738 } assi (((resi 69 and name HB2)) and bondedto ((resi 69 and name CB))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1739 ppm1 1.93 ppm2 4.66 volume 2.27e+08 { 1739 } assi (((resi 69 and name HB1)) and bondedto ((resi 69 and name CB))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1740 ppm1 2.07 ppm2 3.47 volume 5.92e+06 { 1740 } assi (((resi 69 and name HB2)) and bondedto ((resi 69 and name CB))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1741 ppm1 1.93 ppm2 3.49 volume 2.71e+07 { 1741 } assi (((resi 69 and name HB1)) and bondedto ((resi 69 and name CB))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1742 ppm1 2.05 ppm2 7.65 volume 8.42e+06 { 1742 } assi (((resi 69 and name HD1)) and bondedto ((resi 69 and name CD))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 1743 ppm1 3.49 ppm2 0.50 volume 9.02e+06 { 1743 } assi (((resi 69 and name HD2)) and bondedto ((resi 69 and name CD))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 1744 ppm1 3.75 ppm2 0.50 volume 8.43e+06 { 1744 } assi (((resi 69 and name HD1)) and bondedto ((resi 69 and name CD))) ((resi 68 and name HA)) 6.0 0.1 0.1 peak 1745 ppm1 3.49 ppm2 4.53 volume 1.75e+07 { 1745 } assi (((resi 69 and name HD2)) and bondedto ((resi 69 and name CD))) ((resi 68 and name HA)) 6.0 0.1 0.1 peak 1746 ppm1 3.74 ppm2 4.53 volume 2.88e+07 { 1746 } assi (((resi 69 and name HD2)) and bondedto ((resi 69 and name CD))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1747 ppm1 3.74 ppm2 3.50 volume 3.73e+08 { 1747 } assi (((resi 69 and name HD1)) and bondedto ((resi 69 and name CD))) ((resi 69 and name HD2)) 6.0 0.1 0.1 peak 1748 ppm1 3.50 ppm2 3.73 volume 3.21e+08 { 1748 } assi (((resi 69 and name HD1)) and bondedto ((resi 69 and name CD))) ((resi 69 and name HG1)) 6.0 0.1 0.1 peak 1749 ppm1 3.49 ppm2 1.90 volume 1.63e+07 { 1749 } assi (((resi 69 and name HD2)) and bondedto ((resi 69 and name CD))) ((resi 69 and name HG1)) 6.0 0.1 0.1 peak 1750 ppm1 3.73 ppm2 1.90 volume 3.47e+07 { 1750 } assi (((resi 69 and name HD1)) and bondedto ((resi 69 and name CD))) ((resi 69 and name HG2)) 6.0 0.1 0.1 peak 1751 ppm1 3.49 ppm2 2.08 volume 1.85e+07 { 1751 } assi (((resi 69 and name HD2)) and bondedto ((resi 69 and name CD))) ((resi 69 and name HG2)) 6.0 0.1 0.1 peak 1752 ppm1 3.73 ppm2 2.08 volume 4.90e+07 { 1752 } assi (((resi 69 and name HD1)) and bondedto ((resi 69 and name CD))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 1753 ppm1 3.50 ppm2 1.01 volume 9.65e+06 { 1753 } assi (((resi 69 and name HG1)) and bondedto ((resi 69 and name CG))) ((resi 1 and name HA)) 6.0 0.1 0.1 peak 1754 ppm1 1.89 ppm2 4.50 volume 1.03e+07 { 1754 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 1 and name HA)) 6.0 0.1 0.1 peak 1755 ppm1 2.11 ppm2 4.48 volume 7.24e+06 { 1755 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 67 and name HG2#)) 6.0 0.1 0.1 peak 1756 ppm1 2.07 ppm2 1.16 volume 4.34e+07 { 1756 } assi (((resi 69 and name HG1)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1757 ppm1 1.90 ppm2 4.64 volume 5.87e+06 { 1757 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1758 ppm1 2.09 ppm2 4.67 volume 8.18e+06 { 1758 } assi (((resi 69 and name HG1)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HB1)) 6.0 0.1 0.1 peak 1759 ppm1 1.89 ppm2 2.07 volume 6.84e+08 { 1759 } assi (((resi 69 and name HG1)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1760 ppm1 1.88 ppm2 3.48 volume 9.62e+06 { 1760 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1761 ppm1 2.08 ppm2 3.50 volume 9.90e+06 { 1761 } assi (((resi 69 and name HG1)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HD2)) 6.0 0.1 0.1 peak 1762 ppm1 1.89 ppm2 3.74 volume 1.39e+07 { 1762 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HD2)) 6.0 0.1 0.1 peak 1763 ppm1 2.09 ppm2 3.74 volume 8.38e+06 { 1763 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 69 and name HG1)) 6.0 0.1 0.1 peak 1764 ppm1 2.09 ppm2 1.91 volume 3.56e+08 { 1764 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1765 ppm1 2.09 ppm2 7.64 volume 7.25e+06 { 1765 } assi (((resi 69 and name HG1)) and bondedto ((resi 69 and name CG))) ((resi 72 and name HB2)) 6.0 0.1 0.1 peak 1766 ppm1 1.87 ppm2 1.59 volume 1.54e+08 { 1766 } assi (((resi 69 and name HG2)) and bondedto ((resi 69 and name CG))) ((resi 72 and name HB2)) 6.0 0.1 0.1 peak 1767 ppm1 2.08 ppm2 1.61 volume 8.01e+07 { 1767 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 35 and name HB2)) 6.0 0.1 0.1 peak 1768 ppm1 3.45 ppm2 2.76 volume 1.26e+07 { 1768 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 1769 ppm1 3.45 ppm2 4.28 volume 6.24e+06 { 1769 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1770 ppm1 3.46 ppm2 4.68 volume 5.66e+06 { 1770 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 70 and name HB1)) 6.0 0.1 0.1 peak 1771 ppm1 3.46 ppm2 1.45 volume 8.09e+06 { 1771 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 70 and name HB2)) 6.0 0.1 0.1 peak 1772 ppm1 3.46 ppm2 1.33 volume 1.26e+07 { 1772 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 70 and name HD#)) 6.0 0.1 0.1 peak 1773 ppm1 3.46 ppm2 1.56 volume 8.18e+06 { 1773 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1774 ppm1 3.46 ppm2 1.06 volume 2.40e+07 { 1774 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1775 ppm1 3.47 ppm2 7.64 volume 1.21e+07 { 1775 } assi (((resi 70 and name HA)) and bondedto ((resi 70 and name CA))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 1776 ppm1 3.46 ppm2 9.37 volume 3.41e+07 { 1776 } assi (((resi 70 and name HB1)) and bondedto ((resi 70 and name CB))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 1777 ppm1 1.44 ppm2 4.28 volume 4.91e+06 { 1777 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 1778 ppm1 1.34 ppm2 4.27 volume 4.94e+06 { 1778 } assi (((resi 70 and name HB1)) and bondedto ((resi 70 and name CB))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1779 ppm1 1.46 ppm2 4.65 volume 4.46e+07 { 1779 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 69 and name HA)) 6.0 0.1 0.1 peak 1780 ppm1 1.38 ppm2 4.68 volume 3.16e+07 { 1780 } assi (((resi 70 and name HB1)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 1781 ppm1 1.45 ppm2 3.46 volume 6.35e+06 { 1781 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 1782 ppm1 1.35 ppm2 3.45 volume 5.95e+06 { 1782 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HD#)) 6.0 0.1 0.1 peak 1783 ppm1 1.34 ppm2 1.56 volume 1.38e+08 { 1783 } assi (((resi 70 and name HB1)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HE#)) 6.0 0.1 0.1 peak 1784 ppm1 1.46 ppm2 2.96 volume 6.01e+06 { 1784 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HE#)) 6.0 0.1 0.1 peak 1785 ppm1 1.35 ppm2 2.97 volume 4.24e+06 { 1785 } assi (((resi 70 and name HB1)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1786 ppm1 1.45 ppm2 1.07 volume 2.99e+08 { 1786 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1787 ppm1 1.35 ppm2 1.07 volume 2.58e+08 { 1787 } assi (((resi 70 and name HB1)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1788 ppm1 1.45 ppm2 7.63 volume 1.09e+07 { 1788 } assi (((resi 70 and name HB2)) and bondedto ((resi 70 and name CB))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1789 ppm1 1.35 ppm2 7.63 volume 1.05e+07 { 1789 } assi (((resi 70 and name HD#)) and bondedto ((resi 70 and name CD))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 1790 ppm1 1.60 ppm2 4.28 volume 1.55e+07 { 1790 } assi (((resi 70 and name HD#)) and bondedto ((resi 70 and name CD))) ((resi 38 and name HN)) 6.0 0.1 0.1 peak 1791 ppm1 1.57 ppm2 7.82 volume 4.14e+06 { 1791 } assi (((resi 70 and name HD#)) and bondedto ((resi 70 and name CD))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 1792 ppm1 1.59 ppm2 3.46 volume 3.73e+06 { 1792 } assi (((resi 70 and name HD#)) and bondedto ((resi 70 and name CD))) ((resi 70 and name HE#)) 6.0 0.1 0.1 peak 1793 ppm1 1.61 ppm2 2.96 volume 4.11e+07 { 1793 } assi (((resi 70 and name HD#)) and bondedto ((resi 70 and name CD))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1794 ppm1 1.60 ppm2 1.08 volume 3.53e+08 { 1794 } assi (((resi 70 and name HD#)) and bondedto ((resi 70 and name CD))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1795 ppm1 1.60 ppm2 7.64 volume 3.47e+06 { 1795 } assi (((resi 70 and name HE#)) and bondedto ((resi 70 and name CE))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 1796 ppm1 2.97 ppm2 4.27 volume 1.07e+08 { 1796 } assi (((resi 70 and name HE#)) and bondedto ((resi 70 and name CE))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 1797 ppm1 2.96 ppm2 3.44 volume 1.08e+08 { 1797 } assi (((resi 70 and name HE#)) and bondedto ((resi 70 and name CE))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1798 ppm1 2.97 ppm2 1.07 volume 4.15e+08 { 1798 } assi (((resi 70 and name HG#)) and bondedto ((resi 70 and name CG))) ((resi 37 and name HA)) 6.0 0.1 0.1 peak 1799 ppm1 1.08 ppm2 4.29 volume 1.44e+07 { 1799 } assi (((resi 70 and name HG#)) and bondedto ((resi 70 and name CG))) ((resi 37 and name HN)) 6.0 0.1 0.1 peak 1800 ppm1 1.08 ppm2 7.78 volume 3.88e+06 { 1800 } assi (((resi 70 and name HG#)) and bondedto ((resi 70 and name CG))) ((resi 70 and name HA)) 6.0 0.1 0.1 peak 1801 ppm1 1.07 ppm2 3.46 volume 1.24e+07 { 1801 } assi (((resi 70 and name HG#)) and bondedto ((resi 70 and name CG))) ((resi 70 and name HE#)) 6.0 0.1 0.1 peak 1802 ppm1 1.07 ppm2 2.97 volume 1.85e+07 { 1802 } assi (((resi 70 and name HG#)) and bondedto ((resi 70 and name CG))) ((resi 70 and name HN)) 6.0 0.1 0.1 peak 1803 ppm1 1.09 ppm2 7.63 volume 5.52e+06 { 1803 } assi (((resi 70 and name HG#)) and bondedto ((resi 70 and name CG))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 1804 ppm1 1.08 ppm2 9.38 volume 6.16e+06 { 1804 } assi (((resi 71 and name HA1)) and bondedto ((resi 71 and name CA))) ((resi 34 and name HE#)) 6.0 0.1 0.1 peak 1805 ppm1 4.37 ppm2 6.65 volume 1.15e+07 { 1805 } assi (((resi 71 and name HA2)) and bondedto ((resi 71 and name CA))) ((resi 34 and name HE#)) 6.0 0.1 0.1 peak 1806 ppm1 3.60 ppm2 6.66 volume 1.39e+07 { 1806 } assi (((resi 71 and name HA1)) and bondedto ((resi 71 and name CA))) ((resi 69 and name HB1)) 6.0 0.1 0.1 peak 1807 ppm1 4.38 ppm2 2.07 volume 9.33e+07 { 1807 } assi (((resi 71 and name HA2)) and bondedto ((resi 71 and name CA))) ((resi 69 and name HB1)) 6.0 0.1 0.1 peak 1808 ppm1 3.61 ppm2 2.08 volume 5.67e+06 { 1808 } assi (((resi 71 and name HA1)) and bondedto ((resi 71 and name CA))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1809 ppm1 4.40 ppm2 1.07 volume 8.41e+06 { 1809 } assi (((resi 71 and name HA2)) and bondedto ((resi 71 and name CA))) ((resi 70 and name HG#)) 6.0 0.1 0.1 peak 1810 ppm1 3.61 ppm2 1.08 volume 9.14e+06 { 1810 } assi (((resi 71 and name HA2)) and bondedto ((resi 71 and name CA))) ((resi 71 and name HA1)) 6.0 0.1 0.1 peak 1811 ppm1 3.60 ppm2 4.38 volume 9.92e+08 { 1811 } assi (((resi 71 and name HA1)) and bondedto ((resi 71 and name CA))) ((resi 71 and name HA2)) 6.0 0.1 0.1 peak 1812 ppm1 4.38 ppm2 3.60 volume 9.64e+08 { 1812 } assi (((resi 71 and name HA1)) and bondedto ((resi 71 and name CA))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 1813 ppm1 4.38 ppm2 9.37 volume 2.46e+07 { 1813 } assi (((resi 71 and name HA2)) and bondedto ((resi 71 and name CA))) ((resi 71 and name HN)) 6.0 0.1 0.1 peak 1814 ppm1 3.60 ppm2 9.37 volume 2.79e+07 { 1814 } assi (((resi 71 and name HA1)) and bondedto ((resi 71 and name CA))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1815 ppm1 4.38 ppm2 7.70 volume 9.54e+06 { 1815 } assi (((resi 71 and name HA2)) and bondedto ((resi 71 and name CA))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1816 ppm1 3.62 ppm2 7.69 volume 8.12e+06 { 1816 } assi (((resi 72 and name HA)) and bondedto ((resi 72 and name CA))) ((resi 72 and name HD*)) 6.0 0.1 0.1 peak 1817 ppm1 4.43 ppm2 1.16 volume 3.69e+08 { 1817 } assi (((resi 72 and name HA)) and bondedto ((resi 72 and name CA))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1818 ppm1 4.43 ppm2 7.68 volume 1.13e+07 { 1818 } assi (((resi 72 and name HA)) and bondedto ((resi 72 and name CA))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1819 ppm1 4.43 ppm2 8.56 volume 4.91e+07 { 1819 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 35 and name HD#)) 6.0 0.1 0.1 peak 1820 ppm1 2.20 ppm2 7.14 volume 6.20e+06 { 1820 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 35 and name HD#)) 6.0 0.1 0.1 peak 1821 ppm1 1.59 ppm2 7.14 volume 5.62e+06 { 1821 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HA)) 6.0 0.1 0.1 peak 1822 ppm1 2.20 ppm2 4.43 volume 6.98e+06 { 1822 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HA)) 6.0 0.1 0.1 peak 1823 ppm1 1.60 ppm2 4.43 volume 1.00e+07 { 1823 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HB1)) 6.0 0.1 0.1 peak 1824 ppm1 1.60 ppm2 2.19 volume 1.68e+08 { 1824 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HB2)) 6.0 0.1 0.1 peak 1825 ppm1 2.20 ppm2 1.60 volume 2.54e+07 { 1825 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HD*)) 6.0 0.1 0.1 peak 1826 ppm1 2.21 ppm2 1.16 volume 1.04e+07 { 1826 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HD*)) 6.0 0.1 0.1 peak 1827 ppm1 1.61 ppm2 1.16 volume 1.32e+08 { 1827 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 1828 ppm1 2.21 ppm2 1.00 volume 1.19e+07 { 1828 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HG)) 6.0 0.1 0.1 peak 1829 ppm1 1.60 ppm2 1.00 volume 1.26e+08 { 1829 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1830 ppm1 2.21 ppm2 7.69 volume 9.25e+06 { 1830 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1831 ppm1 1.60 ppm2 7.69 volume 1.11e+07 { 1831 } assi (((resi 72 and name HB1)) and bondedto ((resi 72 and name CB))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1832 ppm1 2.19 ppm2 8.57 volume 4.45e+06 { 1832 } assi (((resi 72 and name HB2)) and bondedto ((resi 72 and name CB))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1833 ppm1 1.60 ppm2 8.56 volume 4.29e+06 { 1833 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 1 and name HG2)) 6.0 0.1 0.1 peak 1834 ppm1 1.18 ppm2 2.54 volume 2.54e+07 { 1834 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 1835 ppm1 1.17 ppm2 0.49 volume 9.42e+07 { 1835 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 35 and name HB2)) 6.0 0.1 0.1 peak 1836 ppm1 1.18 ppm2 2.77 volume 8.23e+06 { 1836 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 52 and name HB)) 6.0 0.1 0.1 peak 1837 ppm1 1.18 ppm2 5.01 volume 2.23e+07 { 1837 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1838 ppm1 1.18 ppm2 3.49 volume 7.81e+06 { 1838 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 69 and name HD2)) 6.0 0.1 0.1 peak 1839 ppm1 1.17 ppm2 3.74 volume 8.85e+06 { 1839 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 72 and name HA)) 6.0 0.1 0.1 peak 1840 ppm1 1.17 ppm2 4.43 volume 7.84e+07 { 1840 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 72 and name HB1)) 6.0 0.1 0.1 peak 1841 ppm1 1.17 ppm2 2.20 volume 2.16e+08 { 1841 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 72 and name HB2)) 6.0 0.1 0.1 peak 1842 ppm1 1.17 ppm2 1.58 volume 1.10e+09 { 1842 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1843 ppm1 1.17 ppm2 7.69 volume 1.01e+07 { 1843 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 73 and name HB2)) 6.0 0.1 0.1 peak 1844 ppm1 1.17 ppm2 2.04 volume 3.19e+08 { 1844 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1845 ppm1 1.17 ppm2 8.57 volume 5.27e+07 { 1845 } assi (((resi 72 and name HD*)) and bondedto ((resi 72 and name CD#))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1846 ppm1 1.18 ppm2 3.11 volume 1.38e+07 { 1846 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 3 and name HG1#)) 6.0 0.1 0.1 peak 1847 ppm1 1.00 ppm2 0.49 volume 3.87e+07 { 1847 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 3 and name HG2#)) 6.0 0.1 0.1 peak 1848 ppm1 1.01 ppm2 -0.18 volume 1.67e+07 { 1848 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 33 and name HE3)) 6.0 0.1 0.1 peak 1849 ppm1 1.00 ppm2 6.46 volume 7.53e+06 { 1849 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 33 and name HH2)) 6.0 0.1 0.1 peak 1850 ppm1 1.00 ppm2 6.95 volume 8.47e+06 { 1850 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 35 and name HB2)) 6.0 0.1 0.1 peak 1851 ppm1 1.01 ppm2 2.76 volume 5.12e+06 { 1851 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 35 and name HD#)) 6.0 0.1 0.1 peak 1852 ppm1 1.00 ppm2 7.14 volume 9.88e+06 { 1852 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 35 and name HE#)) 6.0 0.1 0.1 peak 1853 ppm1 1.00 ppm2 6.70 volume 2.51e+07 { 1853 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 69 and name HD1)) 6.0 0.1 0.1 peak 1854 ppm1 1.00 ppm2 3.48 volume 1.59e+07 { 1854 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 69 and name HD2)) 6.0 0.1 0.1 peak 1855 ppm1 1.00 ppm2 3.74 volume 1.04e+07 { 1855 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 69 and name HG1)) 6.0 0.1 0.1 peak 1856 ppm1 1.00 ppm2 1.86 volume 1.02e+08 { 1856 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 72 and name HA)) 6.0 0.1 0.1 peak 1857 ppm1 1.00 ppm2 4.44 volume 1.16e+07 { 1857 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 72 and name HB1)) 6.0 0.1 0.1 peak 1858 ppm1 1.00 ppm2 2.19 volume 2.11e+08 { 1858 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 72 and name HB2)) 6.0 0.1 0.1 peak 1859 ppm1 1.00 ppm2 1.59 volume 5.83e+08 { 1859 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 72 and name HD*)) 6.0 0.1 0.1 peak 1860 ppm1 1.00 ppm2 1.14 volume 4.20e+08 { 1860 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 72 and name HN)) 6.0 0.1 0.1 peak 1861 ppm1 1.00 ppm2 7.69 volume 7.37e+06 { 1861 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1862 ppm1 1.00 ppm2 8.57 volume 4.32e+06 { 1862 } assi (((resi 72 and name HG)) and bondedto ((resi 72 and name CG))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1863 ppm1 1.00 ppm2 3.10 volume 4.97e+06 { 1863 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 34 and name HB1)) 6.0 0.1 0.1 peak 1864 ppm1 5.34 ppm2 2.82 volume 9.73e+07 { 1864 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 34 and name HB2)) 6.0 0.1 0.1 peak 1865 ppm1 5.34 ppm2 2.46 volume 2.20e+07 { 1865 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 1866 ppm1 5.34 ppm2 6.81 volume 1.50e+07 { 1866 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 35 and name HN)) 6.0 0.1 0.1 peak 1867 ppm1 5.33 ppm2 7.99 volume 1.22e+07 { 1867 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 73 and name HB1)) 6.0 0.1 0.1 peak 1868 ppm1 5.33 ppm2 1.86 volume 3.73e+07 { 1868 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 73 and name HB2)) 6.0 0.1 0.1 peak 1869 ppm1 5.32 ppm2 2.02 volume 2.12e+07 { 1869 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 73 and name HD#)) 6.0 0.1 0.1 peak 1870 ppm1 5.34 ppm2 3.21 volume 3.57e+07 { 1870 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1871 ppm1 5.34 ppm2 8.56 volume 6.97e+06 { 1871 } assi (((resi 73 and name HA)) and bondedto ((resi 73 and name CA))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1872 ppm1 5.33 ppm2 9.10 volume 4.12e+08 { 1872 } assi (((resi 73 and name HB1)) and bondedto ((resi 73 and name CB))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 1873 ppm1 1.88 ppm2 6.81 volume 8.85e+06 { 1873 } assi (((resi 73 and name HB2)) and bondedto ((resi 73 and name CB))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 1874 ppm1 2.01 ppm2 6.81 volume 5.64e+06 { 1874 } assi (((resi 73 and name HB1)) and bondedto ((resi 73 and name CB))) ((resi 73 and name HA)) 6.0 0.1 0.1 peak 1875 ppm1 1.88 ppm2 5.34 volume 1.07e+07 { 1875 } assi (((resi 73 and name HB2)) and bondedto ((resi 73 and name CB))) ((resi 73 and name HA)) 6.0 0.1 0.1 peak 1876 ppm1 2.00 ppm2 5.34 volume 9.91e+06 { 1876 } assi (((resi 73 and name HB1)) and bondedto ((resi 73 and name CB))) ((resi 73 and name HD#)) 6.0 0.1 0.1 peak 1877 ppm1 1.88 ppm2 3.21 volume 1.14e+07 { 1877 } assi (((resi 73 and name HB2)) and bondedto ((resi 73 and name CB))) ((resi 73 and name HD#)) 6.0 0.1 0.1 peak 1878 ppm1 2.01 ppm2 3.22 volume 1.01e+07 { 1878 } assi (((resi 73 and name HB1)) and bondedto ((resi 73 and name CB))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1879 ppm1 1.89 ppm2 8.56 volume 8.97e+06 { 1879 } assi (((resi 73 and name HD#)) and bondedto ((resi 73 and name CD))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 1880 ppm1 3.22 ppm2 6.82 volume 7.41e+06 { 1880 } assi (((resi 73 and name HD#)) and bondedto ((resi 73 and name CD))) ((resi 53 and name HB2)) 6.0 0.1 0.1 peak 1881 ppm1 3.20 ppm2 2.23 volume 8.63e+07 { 1881 } assi (((resi 73 and name HD#)) and bondedto ((resi 73 and name CD))) ((resi 73 and name HA)) 6.0 0.1 0.1 peak 1882 ppm1 3.23 ppm2 5.33 volume 5.84e+06 { 1882 } assi (((resi 73 and name HD#)) and bondedto ((resi 73 and name CD))) ((resi 73 and name HB1)) 6.0 0.1 0.1 peak 1883 ppm1 3.23 ppm2 1.87 volume 7.07e+08 { 1883 } assi (((resi 73 and name HD#)) and bondedto ((resi 73 and name CD))) ((resi 73 and name HB2)) 6.0 0.1 0.1 peak 1884 ppm1 3.22 ppm2 1.99 volume 2.75e+08 { 1884 } assi (((resi 73 and name HD#)) and bondedto ((resi 73 and name CD))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1885 ppm1 3.21 ppm2 8.56 volume 5.68e+06 { 1885 } assi (((resi 73 and name HG1)) and bondedto ((resi 73 and name CG))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 1886 ppm1 1.87 ppm2 6.82 volume 7.00e+07 { 1886 } assi (((resi 73 and name HG2)) and bondedto ((resi 73 and name CG))) ((resi 34 and name HD#)) 6.0 0.1 0.1 peak 1887 ppm1 1.71 ppm2 6.80 volume 9.60e+07 { 1887 } assi (((resi 73 and name HG1)) and bondedto ((resi 73 and name CG))) ((resi 73 and name HD#)) 6.0 0.1 0.1 peak 1888 ppm1 1.87 ppm2 3.22 volume 2.51e+08 { 1888 } assi (((resi 73 and name HG2)) and bondedto ((resi 73 and name CG))) ((resi 73 and name HD#)) 6.0 0.1 0.1 peak 1889 ppm1 1.73 ppm2 3.22 volume 2.45e+08 { 1889 } assi (((resi 73 and name HG1)) and bondedto ((resi 73 and name CG))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1890 ppm1 1.86 ppm2 8.58 volume 4.86e+07 { 1890 } assi (((resi 73 and name HG2)) and bondedto ((resi 73 and name CG))) ((resi 73 and name HN)) 6.0 0.1 0.1 peak 1891 ppm1 1.71 ppm2 8.56 volume 1.67e+07 { 1891 } assi (((resi 73 and name HG1)) and bondedto ((resi 73 and name CG))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1892 ppm1 1.87 ppm2 9.09 volume 3.92e+07 { 1892 } assi (((resi 73 and name HG2)) and bondedto ((resi 73 and name CG))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1893 ppm1 1.72 ppm2 9.09 volume 1.21e+07 { 1893 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1894 ppm1 5.47 ppm2 0.85 volume 7.93e+06 { 1894 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 52 and name HA)) 6.0 0.1 0.1 peak 1895 ppm1 5.47 ppm2 4.76 volume 2.50e+08 { 1895 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 52 and name HG2#)) 6.0 0.1 0.1 peak 1896 ppm1 5.46 ppm2 1.57 volume 9.95e+06 { 1896 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 53 and name HN)) 6.0 0.1 0.1 peak 1897 ppm1 5.47 ppm2 8.59 volume 5.29e+06 { 1897 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1898 ppm1 5.47 ppm2 3.10 volume 2.37e+07 { 1898 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 74 and name HB2)) 6.0 0.1 0.1 peak 1899 ppm1 5.46 ppm2 2.77 volume 2.40e+07 { 1899 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1900 ppm1 5.46 ppm2 9.07 volume 3.45e+08 { 1900 } assi (((resi 74 and name HA)) and bondedto ((resi 74 and name CA))) ((resi 75 and name HB1)) 6.0 0.1 0.1 peak 1901 ppm1 5.46 ppm2 1.80 volume 8.48e+06 { 1901 } assi (((resi 74 and name HB1)) and bondedto ((resi 74 and name CB))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1902 ppm1 3.10 ppm2 0.85 volume 1.35e+07 { 1902 } assi (((resi 74 and name HB2)) and bondedto ((resi 74 and name CB))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1903 ppm1 2.77 ppm2 0.85 volume 1.45e+07 { 1903 } assi (((resi 74 and name HB1)) and bondedto ((resi 74 and name CB))) ((resi 52 and name HG2#)) 6.0 0.1 0.1 peak 1904 ppm1 3.11 ppm2 1.57 volume 1.63e+07 { 1904 } assi (((resi 74 and name HB2)) and bondedto ((resi 74 and name CB))) ((resi 52 and name HG2#)) 6.0 0.1 0.1 peak 1905 ppm1 2.78 ppm2 1.57 volume 1.32e+07 { 1905 } assi (((resi 74 and name HB1)) and bondedto ((resi 74 and name CB))) ((resi 74 and name HA)) 6.0 0.1 0.1 peak 1906 ppm1 3.11 ppm2 5.47 volume 2.05e+07 { 1906 } assi (((resi 74 and name HB2)) and bondedto ((resi 74 and name CB))) ((resi 74 and name HA)) 6.0 0.1 0.1 peak 1907 ppm1 2.77 ppm2 5.47 volume 1.99e+07 { 1907 } assi (((resi 74 and name HB2)) and bondedto ((resi 74 and name CB))) ((resi 74 and name HB1)) 6.0 0.1 0.1 peak 1908 ppm1 2.77 ppm2 3.10 volume 3.36e+07 { 1908 } assi (((resi 74 and name HB1)) and bondedto ((resi 74 and name CB))) ((resi 74 and name HB2)) 6.0 0.1 0.1 peak 1909 ppm1 3.11 ppm2 2.77 volume 3.64e+07 { 1909 } assi (((resi 74 and name HB1)) and bondedto ((resi 74 and name CB))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1910 ppm1 3.11 ppm2 9.06 volume 1.67e+07 { 1910 } assi (((resi 74 and name HB2)) and bondedto ((resi 74 and name CB))) ((resi 74 and name HN)) 6.0 0.1 0.1 peak 1911 ppm1 2.77 ppm2 9.07 volume 1.91e+07 { 1911 } assi (((resi 74 and name HB2)) and bondedto ((resi 74 and name CB))) ((resi 75 and name HB1)) 6.0 0.1 0.1 peak 1912 ppm1 2.77 ppm2 1.83 volume 7.10e+06 { 1912 } assi (((resi 75 and name HA)) and bondedto ((resi 75 and name CA))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 1913 ppm1 5.22 ppm2 5.42 volume 2.75e+08 { 1913 } assi (((resi 75 and name HA)) and bondedto ((resi 75 and name CA))) ((resi 75 and name HB2)) 6.0 0.1 0.1 peak 1914 ppm1 5.23 ppm2 1.87 volume 1.77e+07 { 1914 } assi (((resi 75 and name HA)) and bondedto ((resi 75 and name CA))) ((resi 75 and name HD#)) 6.0 0.1 0.1 peak 1915 ppm1 5.22 ppm2 3.21 volume 7.44e+06 { 1915 } assi (((resi 75 and name HA)) and bondedto ((resi 75 and name CA))) ((resi 75 and name HG#)) 6.0 0.1 0.1 peak 1916 ppm1 5.22 ppm2 1.55 volume 6.60e+06 { 1916 } assi (((resi 75 and name HA)) and bondedto ((resi 75 and name CA))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1917 ppm1 5.22 ppm2 9.37 volume 4.05e+08 { 1917 } assi (((resi 75 and name HB1)) and bondedto ((resi 75 and name CB))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 1918 ppm1 1.78 ppm2 5.45 volume 3.67e+06 { 1918 } assi (((resi 75 and name HB2)) and bondedto ((resi 75 and name CB))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 1919 ppm1 1.87 ppm2 5.45 volume 4.95e+06 { 1919 } assi (((resi 75 and name HB1)) and bondedto ((resi 75 and name CB))) ((resi 51 and name HB)) 6.0 0.1 0.1 peak 1920 ppm1 1.79 ppm2 4.03 volume 3.24e+06 { 1920 } assi (((resi 75 and name HB2)) and bondedto ((resi 75 and name CB))) ((resi 51 and name HB)) 6.0 0.1 0.1 peak 1921 ppm1 1.89 ppm2 4.03 volume 5.39e+07 { 1921 } assi (((resi 75 and name HB1)) and bondedto ((resi 75 and name CB))) ((resi 75 and name HA)) 6.0 0.1 0.1 peak 1922 ppm1 1.77 ppm2 5.23 volume 1.08e+07 { 1922 } assi (((resi 75 and name HB2)) and bondedto ((resi 75 and name CB))) ((resi 75 and name HA)) 6.0 0.1 0.1 peak 1923 ppm1 1.87 ppm2 5.24 volume 8.83e+06 { 1923 } assi (((resi 75 and name HB2)) and bondedto ((resi 75 and name CB))) ((resi 75 and name HD#)) 6.0 0.1 0.1 peak 1924 ppm1 1.88 ppm2 3.20 volume 1.35e+07 { 1924 } assi (((resi 75 and name HB1)) and bondedto ((resi 75 and name CB))) ((resi 75 and name HN)) 6.0 0.1 0.1 peak 1925 ppm1 1.77 ppm2 9.05 volume 1.40e+07 { 1925 } assi (((resi 75 and name HB2)) and bondedto ((resi 75 and name CB))) ((resi 75 and name HN)) 6.0 0.1 0.1 peak 1926 ppm1 1.87 ppm2 9.04 volume 1.04e+07 { 1926 } assi (((resi 75 and name HB1)) and bondedto ((resi 75 and name CB))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1927 ppm1 1.77 ppm2 9.38 volume 3.32e+06 { 1927 } assi (((resi 75 and name HB2)) and bondedto ((resi 75 and name CB))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1928 ppm1 1.87 ppm2 9.36 volume 4.88e+06 { 1928 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 1929 ppm1 3.19 ppm2 8.70 volume 1.55e+07 { 1929 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 1930 ppm1 3.19 ppm2 5.44 volume 4.16e+07 { 1930 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 1931 ppm1 3.19 ppm2 9.37 volume 5.73e+06 { 1931 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 75 and name HA)) 6.0 0.1 0.1 peak 1932 ppm1 3.20 ppm2 5.24 volume 1.34e+07 { 1932 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 75 and name HB2)) 6.0 0.1 0.1 peak 1933 ppm1 3.21 ppm2 1.86 volume 4.85e+08 { 1933 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 75 and name HG#)) 6.0 0.1 0.1 peak 1934 ppm1 3.20 ppm2 1.54 volume 8.14e+08 { 1934 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 75 and name HN)) 6.0 0.1 0.1 peak 1935 ppm1 3.20 ppm2 9.05 volume 1.44e+07 { 1935 } assi (((resi 75 and name HD#)) and bondedto ((resi 75 and name CD))) ((resi 77 and name HD#)) 6.0 0.1 0.1 peak 1936 ppm1 3.20 ppm2 1.75 volume 4.52e+08 { 1936 } assi (((resi 75 and name HG#)) and bondedto ((resi 75 and name CG))) ((resi 32 and name HA)) 6.0 0.1 0.1 peak 1937 ppm1 1.54 ppm2 5.44 volume 5.54e+06 { 1937 } assi (((resi 75 and name HG#)) and bondedto ((resi 75 and name CG))) ((resi 33 and name HN)) 6.0 0.1 0.1 peak 1938 ppm1 1.55 ppm2 9.36 volume 6.44e+06 { 1938 } assi (((resi 75 and name HG#)) and bondedto ((resi 75 and name CG))) ((resi 75 and name HA)) 6.0 0.1 0.1 peak 1939 ppm1 1.53 ppm2 5.22 volume 1.45e+07 { 1939 } assi (((resi 75 and name HG#)) and bondedto ((resi 75 and name CG))) ((resi 75 and name HD#)) 6.0 0.1 0.1 peak 1940 ppm1 1.55 ppm2 3.19 volume 3.04e+07 { 1940 } assi (((resi 75 and name HG#)) and bondedto ((resi 75 and name CG))) ((resi 75 and name HN)) 6.0 0.1 0.1 peak 1941 ppm1 1.55 ppm2 9.06 volume 4.59e+06 { 1941 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1942 ppm1 4.42 ppm2 0.38 volume 1.22e+07 { 1942 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 1943 ppm1 4.42 ppm2 9.02 volume 9.27e+06 { 1943 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 50 and name HA)) 6.0 0.1 0.1 peak 1944 ppm1 4.42 ppm2 4.98 volume 1.17e+08 { 1944 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 50 and name HG1#)) 6.0 0.1 0.1 peak 1945 ppm1 4.42 ppm2 0.86 volume 7.84e+06 { 1945 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 50 and name HG2#)) 6.0 0.1 0.1 peak 1946 ppm1 4.43 ppm2 0.08 volume 1.09e+07 { 1946 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 76 and name HB1)) 6.0 0.1 0.1 peak 1947 ppm1 4.43 ppm2 2.24 volume 1.39e+08 { 1947 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 76 and name HB2)) 6.0 0.1 0.1 peak 1948 ppm1 4.42 ppm2 1.81 volume 1.23e+08 { 1948 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 76 and name HD1)) 6.0 0.1 0.1 peak 1949 ppm1 4.41 ppm2 7.07 volume 7.46e+06 { 1949 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1950 ppm1 4.43 ppm2 9.37 volume 7.20e+06 { 1950 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 77 and name HB2)) 6.0 0.1 0.1 peak 1951 ppm1 4.42 ppm2 1.58 volume 4.46e+07 { 1951 } assi (((resi 76 and name HA)) and bondedto ((resi 76 and name CA))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1952 ppm1 4.42 ppm2 8.69 volume 5.08e+07 { 1952 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 1953 ppm1 2.26 ppm2 8.69 volume 4.88e+06 { 1953 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 31 and name HN)) 6.0 0.1 0.1 peak 1954 ppm1 1.80 ppm2 8.69 volume 5.38e+06 { 1954 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1955 ppm1 2.24 ppm2 0.39 volume 5.13e+07 { 1955 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 1956 ppm1 1.79 ppm2 0.39 volume 2.47e+07 { 1956 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1957 ppm1 2.27 ppm2 4.43 volume 5.91e+06 { 1957 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1958 ppm1 1.81 ppm2 4.44 volume 7.33e+06 { 1958 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HB1)) 6.0 0.1 0.1 peak 1959 ppm1 1.80 ppm2 2.25 volume 2.01e+08 { 1959 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HB2)) 6.0 0.1 0.1 peak 1960 ppm1 2.26 ppm2 1.80 volume 2.63e+08 { 1960 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HD1)) 6.0 0.1 0.1 peak 1961 ppm1 1.79 ppm2 7.07 volume 4.09e+06 { 1961 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HE3)) 6.0 0.1 0.1 peak 1962 ppm1 2.25 ppm2 7.33 volume 6.53e+06 { 1962 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HE3)) 6.0 0.1 0.1 peak 1963 ppm1 1.79 ppm2 7.33 volume 6.56e+06 { 1963 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1964 ppm1 2.28 ppm2 9.36 volume 5.09e+06 { 1964 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HN)) 6.0 0.1 0.1 peak 1965 ppm1 1.80 ppm2 9.37 volume 8.56e+06 { 1965 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HZ2)) 6.0 0.1 0.1 peak 1966 ppm1 2.25 ppm2 6.82 volume 2.83e+06 { 1966 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 76 and name HZ2)) 6.0 0.1 0.1 peak 1967 ppm1 1.81 ppm2 6.84 volume 3.37e+06 { 1967 } assi (((resi 76 and name HB1)) and bondedto ((resi 76 and name CB))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1968 ppm1 2.25 ppm2 1.39 volume 4.56e+07 { 1968 } assi (((resi 76 and name HB2)) and bondedto ((resi 76 and name CB))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1969 ppm1 1.79 ppm2 1.38 volume 8.96e+07 { 1969 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1970 ppm1 2.15 ppm2 4.45 volume 5.09e+06 { 1970 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1971 ppm1 1.60 ppm2 4.47 volume 1.11e+07 { 1971 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 1972 ppm1 2.16 ppm2 4.85 volume 8.83e+07 { 1972 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 1973 ppm1 1.59 ppm2 4.85 volume 1.10e+07 { 1973 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HB1)) 6.0 0.1 0.1 peak 1974 ppm1 1.59 ppm2 2.15 volume 4.25e+08 { 1974 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HB2)) 6.0 0.1 0.1 peak 1975 ppm1 2.15 ppm2 1.60 volume 3.77e+08 { 1975 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HE#)) 6.0 0.1 0.1 peak 1976 ppm1 2.15 ppm2 2.88 volume 2.01e+07 { 1976 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HE#)) 6.0 0.1 0.1 peak 1977 ppm1 1.59 ppm2 2.91 volume 3.55e+07 { 1977 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1978 ppm1 2.16 ppm2 1.36 volume 1.67e+08 { 1978 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1979 ppm1 1.60 ppm2 1.36 volume 2.43e+08 { 1979 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HG2)) 6.0 0.1 0.1 peak 1980 ppm1 2.16 ppm2 1.18 volume 1.61e+08 { 1980 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HG2)) 6.0 0.1 0.1 peak 1981 ppm1 1.61 ppm2 1.18 volume 1.93e+08 { 1981 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1982 ppm1 2.15 ppm2 8.69 volume 9.06e+06 { 1982 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 77 and name HN)) 6.0 0.1 0.1 peak 1983 ppm1 1.59 ppm2 8.69 volume 8.14e+06 { 1983 } assi (((resi 77 and name HB1)) and bondedto ((resi 77 and name CB))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 1984 ppm1 2.16 ppm2 9.30 volume 7.66e+06 { 1984 } assi (((resi 77 and name HB2)) and bondedto ((resi 77 and name CB))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 1985 ppm1 1.58 ppm2 9.29 volume 3.82e+06 { 1985 } assi (((resi 77 and name HD#)) and bondedto ((resi 77 and name CD))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 1986 ppm1 1.66 ppm2 4.86 volume 3.56e+07 { 1986 } assi (((resi 77 and name HD#)) and bondedto ((resi 77 and name CD))) ((resi 77 and name HB1)) 6.0 0.1 0.1 peak 1987 ppm1 1.70 ppm2 2.15 volume 1.48e+08 { 1987 } assi (((resi 77 and name HD#)) and bondedto ((resi 77 and name CD))) ((resi 77 and name HE#)) 6.0 0.1 0.1 peak 1988 ppm1 1.69 ppm2 2.91 volume 2.33e+08 { 1988 } assi (((resi 77 and name HE#)) and bondedto ((resi 77 and name CE))) ((resi 76 and name HA)) 6.0 0.1 0.1 peak 1989 ppm1 2.90 ppm2 4.44 volume 8.18e+07 { 1989 } assi (((resi 77 and name HE#)) and bondedto ((resi 77 and name CE))) ((resi 77 and name HB1)) 6.0 0.1 0.1 peak 1990 ppm1 2.91 ppm2 2.16 volume 1.22e+08 { 1990 } assi (((resi 77 and name HE#)) and bondedto ((resi 77 and name CE))) ((resi 77 and name HG1)) 6.0 0.1 0.1 peak 1991 ppm1 2.91 ppm2 1.36 volume 6.72e+08 { 1991 } assi (((resi 77 and name HE#)) and bondedto ((resi 77 and name CE))) ((resi 77 and name HG2)) 6.0 0.1 0.1 peak 1992 ppm1 2.91 ppm2 1.19 volume 3.52e+08 { 1992 } assi (((resi 77 and name HE#)) and bondedto ((resi 77 and name CE))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 1993 ppm1 2.91 ppm2 0.85 volume 6.06e+08 { 1993 } assi (((resi 77 and name HG1)) and bondedto ((resi 77 and name CG))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 1994 ppm1 1.36 ppm2 4.85 volume 7.59e+06 { 1994 } assi (((resi 77 and name HG2)) and bondedto ((resi 77 and name CG))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 1995 ppm1 1.18 ppm2 4.85 volume 6.45e+06 { 1995 } assi (((resi 77 and name HG1)) and bondedto ((resi 77 and name CG))) ((resi 77 and name HE#)) 6.0 0.1 0.1 peak 1996 ppm1 1.33 ppm2 2.90 volume 1.27e+07 { 1996 } assi (((resi 77 and name HG2)) and bondedto ((resi 77 and name CG))) ((resi 77 and name HE#)) 6.0 0.1 0.1 peak 1997 ppm1 1.18 ppm2 2.92 volume 1.63e+07 { 1997 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 1998 ppm1 4.12 ppm2 0.94 volume 2.95e+07 { 1998 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 1999 ppm1 4.12 ppm2 4.97 volume 1.93e+07 { 1999 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 2000 ppm1 4.12 ppm2 0.38 volume 1.04e+07 { 2000 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 2001 ppm1 4.12 ppm2 9.04 volume 7.12e+06 { 2001 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 78 and name HB)) 6.0 0.1 0.1 peak 2002 ppm1 4.13 ppm2 2.58 volume 5.90e+06 { 2002 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 78 and name HG2#)) 6.0 0.1 0.1 peak 2003 ppm1 4.12 ppm2 1.39 volume 2.50e+07 { 2003 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 2004 ppm1 4.13 ppm2 9.29 volume 7.91e+06 { 2004 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 79 and name HB2)) 6.0 0.1 0.1 peak 2005 ppm1 4.12 ppm2 1.70 volume 9.09e+06 { 2005 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2006 ppm1 4.12 ppm2 8.72 volume 3.02e+07 { 2006 } assi (((resi 78 and name HA)) and bondedto ((resi 78 and name CA))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2007 ppm1 4.12 ppm2 8.04 volume 1.04e+07 { 2007 } assi (((resi 78 and name HB)) and bondedto ((resi 78 and name CB))) ((resi 28 and name HA)) 6.0 0.1 0.1 peak 2008 ppm1 2.57 ppm2 3.67 volume 1.32e+07 { 2008 } assi (((resi 78 and name HB)) and bondedto ((resi 78 and name CB))) ((resi 28 and name HG1#)) 6.0 0.1 0.1 peak 2009 ppm1 2.56 ppm2 1.15 volume 7.40e+06 { 2009 } assi (((resi 78 and name HB)) and bondedto ((resi 78 and name CB))) ((resi 29 and name HN)) 6.0 0.1 0.1 peak 2010 ppm1 2.56 ppm2 7.85 volume 1.59e+07 { 2010 } assi (((resi 78 and name HB)) and bondedto ((resi 78 and name CB))) ((resi 78 and name HG1#)) 6.0 0.1 0.1 peak 2011 ppm1 2.57 ppm2 0.96 volume 1.89e+07 { 2011 } assi (((resi 78 and name HB)) and bondedto ((resi 78 and name CB))) ((resi 78 and name HG2#)) 6.0 0.1 0.1 peak 2012 ppm1 2.57 ppm2 1.40 volume 1.63e+07 { 2012 } assi (((resi 78 and name HB)) and bondedto ((resi 78 and name CB))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 2013 ppm1 2.57 ppm2 9.29 volume 1.09e+07 { 2013 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 28 and name HA)) 6.0 0.1 0.1 peak 2014 ppm1 0.98 ppm2 3.67 volume 3.32e+07 { 2014 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 2015 ppm1 0.98 ppm2 8.05 volume 2.44e+07 { 2015 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 29 and name HN)) 6.0 0.1 0.1 peak 2016 ppm1 0.98 ppm2 7.85 volume 1.62e+07 { 2016 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2017 ppm1 0.98 ppm2 7.32 volume 1.17e+07 { 2017 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 2018 ppm1 0.98 ppm2 4.97 volume 1.32e+07 { 2018 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 2019 ppm1 0.98 ppm2 0.40 volume 1.69e+07 { 2019 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 2020 ppm1 0.98 ppm2 4.11 volume 5.65e+07 { 2020 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 78 and name HB)) 6.0 0.1 0.1 peak 2021 ppm1 0.98 ppm2 2.56 volume 2.08e+08 { 2021 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 78 and name HG2#)) 6.0 0.1 0.1 peak 2022 ppm1 0.98 ppm2 1.38 volume 6.82e+08 { 2022 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 2023 ppm1 0.98 ppm2 9.29 volume 7.99e+06 { 2023 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2024 ppm1 0.98 ppm2 8.72 volume 1.51e+07 { 2024 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 80 and name HB2)) 6.0 0.1 0.1 peak 2025 ppm1 0.98 ppm2 2.11 volume 1.59e+08 { 2025 } assi (((resi 78 and name HG1#)) and bondedto ((resi 78 and name CG1))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2026 ppm1 0.98 ppm2 8.41 volume 2.47e+07 { 2026 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 26 and name HG1)) 6.0 0.1 0.1 peak 2027 ppm1 1.40 ppm2 1.77 volume 1.08e+08 { 2027 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 28 and name HA)) 6.0 0.1 0.1 peak 2028 ppm1 1.40 ppm2 3.67 volume 8.65e+06 { 2028 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 29 and name HN)) 6.0 0.1 0.1 peak 2029 ppm1 1.40 ppm2 7.85 volume 1.15e+07 { 2029 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 30 and name HG2)) 6.0 0.1 0.1 peak 2030 ppm1 1.40 ppm2 2.25 volume 6.79e+07 { 2030 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 31 and name HE#)) 6.0 0.1 0.1 peak 2031 ppm1 1.40 ppm2 6.83 volume 2.96e+07 { 2031 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 31 and name HZ)) 6.0 0.1 0.1 peak 2032 ppm1 1.40 ppm2 6.71 volume 1.67e+07 { 2032 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2033 ppm1 1.40 ppm2 7.33 volume 2.78e+07 { 2033 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 2034 ppm1 1.40 ppm2 0.39 volume 2.50e+07 { 2034 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 76 and name HZ3)) 6.0 0.1 0.1 peak 2035 ppm1 1.40 ppm2 7.11 volume 5.76e+06 { 2035 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 77 and name HA)) 6.0 0.1 0.1 peak 2036 ppm1 1.41 ppm2 4.85 volume 9.73e+06 { 2036 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 2037 ppm1 1.40 ppm2 4.12 volume 3.22e+07 { 2037 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 78 and name HB)) 6.0 0.1 0.1 peak 2038 ppm1 1.40 ppm2 2.56 volume 3.86e+07 { 2038 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 78 and name HG1#)) 6.0 0.1 0.1 peak 2039 ppm1 1.40 ppm2 0.96 volume 6.31e+08 { 2039 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 78 and name HN)) 6.0 0.1 0.1 peak 2040 ppm1 1.40 ppm2 9.29 volume 3.14e+07 { 2040 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2041 ppm1 1.40 ppm2 8.71 volume 1.23e+07 { 2041 } assi (((resi 78 and name HG2#)) and bondedto ((resi 78 and name CG2))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 2042 ppm1 1.40 ppm2 2.13 volume 5.79e+07 { 2042 } assi (((resi 79 and name HA)) and bondedto ((resi 79 and name CA))) ((resi 79 and name HB1)) 6.0 0.1 0.1 peak 2043 ppm1 4.41 ppm2 1.51 volume 3.30e+08 { 2043 } assi (((resi 79 and name HA)) and bondedto ((resi 79 and name CA))) ((resi 79 and name HB2)) 6.0 0.1 0.1 peak 2044 ppm1 4.41 ppm2 1.71 volume 5.93e+08 { 2044 } assi (((resi 79 and name HA)) and bondedto ((resi 79 and name CA))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 2045 ppm1 4.41 ppm2 0.86 volume 7.26e+08 { 2045 } assi (((resi 79 and name HA)) and bondedto ((resi 79 and name CA))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2046 ppm1 4.41 ppm2 8.70 volume 1.55e+07 { 2046 } assi (((resi 79 and name HA)) and bondedto ((resi 79 and name CA))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2047 ppm1 4.41 ppm2 8.04 volume 9.67e+06 { 2047 } assi (((resi 79 and name HB1)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 2048 ppm1 1.50 ppm2 4.41 volume 9.95e+06 { 2048 } assi (((resi 79 and name HB2)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 2049 ppm1 1.70 ppm2 4.41 volume 1.49e+07 { 2049 } assi (((resi 79 and name HB2)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HB1)) 6.0 0.1 0.1 peak 2050 ppm1 1.70 ppm2 1.50 volume 3.69e+08 { 2050 } assi (((resi 79 and name HB1)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HB2)) 6.0 0.1 0.1 peak 2051 ppm1 1.49 ppm2 1.72 volume 3.70e+08 { 2051 } assi (((resi 79 and name HB1)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 2052 ppm1 1.49 ppm2 0.87 volume 4.02e+08 { 2052 } assi (((resi 79 and name HB2)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 2053 ppm1 1.70 ppm2 0.87 volume 3.98e+08 { 2053 } assi (((resi 79 and name HB1)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2054 ppm1 1.48 ppm2 8.71 volume 8.20e+06 { 2054 } assi (((resi 79 and name HB2)) and bondedto ((resi 79 and name CB))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2055 ppm1 1.71 ppm2 8.72 volume 8.00e+06 { 2055 } assi (((resi 79 and name HB1)) and bondedto ((resi 79 and name CB))) ((resi 80 and name HB2)) 6.0 0.1 0.1 peak 2056 ppm1 1.50 ppm2 2.14 volume 5.66e+07 { 2056 } assi (((resi 79 and name HB2)) and bondedto ((resi 79 and name CB))) ((resi 80 and name HB2)) 6.0 0.1 0.1 peak 2057 ppm1 1.71 ppm2 2.15 volume 4.72e+07 { 2057 } assi (((resi 79 and name HB1)) and bondedto ((resi 79 and name CB))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2058 ppm1 1.49 ppm2 8.04 volume 6.62e+06 { 2058 } assi (((resi 79 and name HB2)) and bondedto ((resi 79 and name CB))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2059 ppm1 1.72 ppm2 8.05 volume 6.13e+06 { 2059 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 47 and name HE#)) 6.0 0.1 0.1 peak 2060 ppm1 0.89 ppm2 2.84 volume 2.56e+07 { 2060 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 47 and name HG1)) 6.0 0.1 0.1 peak 2061 ppm1 0.89 ppm2 1.22 volume 2.48e+08 { 2061 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 2062 ppm1 0.88 ppm2 4.97 volume 7.93e+06 { 2062 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 49 and name HA)) 6.0 0.1 0.1 peak 2063 ppm1 0.89 ppm2 5.15 volume 5.82e+06 { 2063 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 49 and name HG2)) 6.0 0.1 0.1 peak 2064 ppm1 0.89 ppm2 1.99 volume 2.46e+08 { 2064 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 2065 ppm1 0.88 ppm2 9.04 volume 1.18e+07 { 2065 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 77 and name HB1)) 6.0 0.1 0.1 peak 2066 ppm1 0.89 ppm2 2.16 volume 1.66e+08 { 2066 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 2067 ppm1 0.89 ppm2 4.41 volume 1.66e+07 { 2067 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 79 and name HB1)) 6.0 0.1 0.1 peak 2068 ppm1 0.88 ppm2 1.50 volume 4.12e+08 { 2068 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 79 and name HB2)) 6.0 0.1 0.1 peak 2069 ppm1 0.89 ppm2 1.72 volume 5.74e+08 { 2069 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2070 ppm1 0.89 ppm2 8.72 volume 1.26e+07 { 2070 } assi (((resi 79 and name HD1#)) and bondedto ((resi 79 and name CD1))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2071 ppm1 0.88 ppm2 8.04 volume 5.84e+06 { 2071 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 48 and name HA)) 6.0 0.1 0.1 peak 2072 ppm1 0.85 ppm2 4.97 volume 7.51e+06 { 2072 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 49 and name HG2)) 6.0 0.1 0.1 peak 2073 ppm1 0.85 ppm2 1.98 volume 1.45e+08 { 2073 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 2074 ppm1 0.85 ppm2 9.04 volume 6.27e+06 { 2074 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 77 and name HE#)) 6.0 0.1 0.1 peak 2075 ppm1 0.85 ppm2 2.91 volume 5.51e+07 { 2075 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 77 and name HG2)) 6.0 0.1 0.1 peak 2076 ppm1 0.85 ppm2 1.17 volume 2.73e+08 { 2076 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 78 and name HA)) 6.0 0.1 0.1 peak 2077 ppm1 0.85 ppm2 4.13 volume 2.63e+07 { 2077 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 2078 ppm1 0.86 ppm2 4.41 volume 1.22e+08 { 2078 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 79 and name HB1)) 6.0 0.1 0.1 peak 2079 ppm1 0.85 ppm2 1.49 volume 4.53e+08 { 2079 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 79 and name HB2)) 6.0 0.1 0.1 peak 2080 ppm1 0.85 ppm2 1.72 volume 8.72e+08 { 2080 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2081 ppm1 0.85 ppm2 8.71 volume 1.86e+07 { 2081 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 80 and name HB2)) 6.0 0.1 0.1 peak 2082 ppm1 0.86 ppm2 2.15 volume 1.53e+08 { 2082 } assi (((resi 79 and name HD2#)) and bondedto ((resi 79 and name CD2))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2083 ppm1 0.86 ppm2 8.04 volume 9.35e+06 { 2083 } assi (((resi 79 and name HG)) and bondedto ((resi 79 and name CG))) ((resi 49 and name HN)) 6.0 0.1 0.1 peak 2084 ppm1 1.76 ppm2 9.03 volume 4.46e+07 { 2084 } assi (((resi 79 and name HG)) and bondedto ((resi 79 and name CG))) ((resi 79 and name HA)) 6.0 0.1 0.1 peak 2085 ppm1 1.77 ppm2 4.41 volume 1.17e+07 { 2085 } assi (((resi 79 and name HG)) and bondedto ((resi 79 and name CG))) ((resi 79 and name HD2#)) 6.0 0.1 0.1 peak 2086 ppm1 1.78 ppm2 0.89 volume 4.44e+08 { 2086 } assi (((resi 79 and name HG)) and bondedto ((resi 79 and name CG))) ((resi 79 and name HN)) 6.0 0.1 0.1 peak 2087 ppm1 1.77 ppm2 8.69 volume 1.09e+07 { 2087 } assi (((resi 79 and name HG)) and bondedto ((resi 79 and name CG))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2088 ppm1 1.77 ppm2 8.05 volume 5.35e+06 { 2088 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 46 and name HA1)) 6.0 0.1 0.1 peak 2089 ppm1 1.67 ppm2 4.55 volume 4.54e+07 { 2089 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 2090 ppm1 1.68 ppm2 3.46 volume 7.63e+06 { 2090 } assi (((resi 80 and name HB2)) and bondedto ((resi 80 and name CB))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 2091 ppm1 2.11 ppm2 3.46 volume 5.89e+06 { 2091 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2092 ppm1 1.68 ppm2 7.33 volume 1.00e+07 { 2092 } assi (((resi 80 and name HB2)) and bondedto ((resi 80 and name CB))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2093 ppm1 2.13 ppm2 7.33 volume 7.38e+06 { 2093 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 2094 ppm1 1.67 ppm2 4.65 volume 1.05e+08 { 2094 } assi (((resi 80 and name HB2)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HB1)) 6.0 0.1 0.1 peak 2095 ppm1 2.12 ppm2 1.67 volume 3.03e+08 { 2095 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HB2)) 6.0 0.1 0.1 peak 2096 ppm1 1.68 ppm2 2.13 volume 5.34e+08 { 2096 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HG2)) 6.0 0.1 0.1 peak 2097 ppm1 1.67 ppm2 2.36 volume 1.90e+08 { 2097 } assi (((resi 80 and name HB2)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HG2)) 6.0 0.1 0.1 peak 2098 ppm1 2.12 ppm2 2.37 volume 2.55e+08 { 2098 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2099 ppm1 1.67 ppm2 8.04 volume 8.14e+06 { 2099 } assi (((resi 80 and name HB2)) and bondedto ((resi 80 and name CB))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2100 ppm1 2.12 ppm2 8.05 volume 5.02e+06 { 2100 } assi (((resi 80 and name HB1)) and bondedto ((resi 80 and name CB))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2101 ppm1 1.67 ppm2 3.71 volume 5.57e+06 { 2101 } assi (((resi 80 and name HB2)) and bondedto ((resi 80 and name CB))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2102 ppm1 2.12 ppm2 3.71 volume 7.91e+07 { 2102 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 79 and name HD1#)) 6.0 0.1 0.1 peak 2103 ppm1 2.37 ppm2 0.91 volume 6.65e+07 { 2103 } assi (((resi 80 and name HG1)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 2104 ppm1 2.17 ppm2 4.64 volume 1.01e+08 { 2104 } assi (((resi 80 and name HG1)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 2105 ppm1 2.17 ppm2 4.66 volume 8.51e+07 { 2105 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 2106 ppm1 2.38 ppm2 4.69 volume 1.26e+08 { 2106 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 2107 ppm1 2.37 ppm2 4.64 volume 1.19e+08 { 2107 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HB1)) 6.0 0.1 0.1 peak 2108 ppm1 2.37 ppm2 1.67 volume 3.16e+08 { 2108 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HG1)) 6.0 0.1 0.1 peak 2109 ppm1 2.37 ppm2 2.19 volume 3.26e+09 { 2109 } assi (((resi 80 and name HG1)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HG2)) 6.0 0.1 0.1 peak 2110 ppm1 2.20 ppm2 2.37 volume 1.29e+09 { 2110 } assi (((resi 80 and name HG1)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2111 ppm1 2.20 ppm2 8.02 volume 2.10e+07 { 2111 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2112 ppm1 2.37 ppm2 8.03 volume 1.98e+07 { 2112 } assi (((resi 80 and name HG1)) and bondedto ((resi 80 and name CG))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2113 ppm1 2.16 ppm2 3.71 volume 7.94e+06 { 2113 } assi (((resi 80 and name HG2)) and bondedto ((resi 80 and name CG))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2114 ppm1 2.37 ppm2 3.72 volume 1.03e+07 { 2114 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 2115 ppm1 4.11 ppm2 0.96 volume 3.46e+07 { 2115 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 2116 ppm1 4.11 ppm2 8.07 volume 6.37e+06 { 2116 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 81 and name HB1)) 6.0 0.1 0.1 peak 2117 ppm1 4.11 ppm2 2.28 volume 3.57e+07 { 2117 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 81 and name HB2)) 6.0 0.1 0.1 peak 2118 ppm1 4.11 ppm2 1.92 volume 2.28e+07 { 2118 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2119 ppm1 4.11 ppm2 3.71 volume 8.01e+07 { 2119 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 81 and name HG2)) 6.0 0.1 0.1 peak 2120 ppm1 4.11 ppm2 2.09 volume 2.04e+07 { 2120 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 2121 ppm1 4.11 ppm2 5.26 volume 4.23e+06 { 2121 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 2122 ppm1 4.10 ppm2 1.33 volume 1.06e+07 { 2122 } assi (((resi 81 and name HA)) and bondedto ((resi 81 and name CA))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2123 ppm1 4.11 ppm2 8.41 volume 6.37e+07 { 2123 } assi (((resi 81 and name HB1)) and bondedto ((resi 81 and name CB))) ((resi 27 and name HA)) 6.0 0.1 0.1 peak 2124 ppm1 2.29 ppm2 4.20 volume 1.98e+08 { 2124 } assi (((resi 81 and name HB1)) and bondedto ((resi 81 and name CB))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 2125 ppm1 2.29 ppm2 0.95 volume 9.99e+07 { 2125 } assi (((resi 81 and name HB1)) and bondedto ((resi 81 and name CB))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2126 ppm1 2.30 ppm2 4.11 volume 2.73e+08 { 2126 } assi (((resi 81 and name HB2)) and bondedto ((resi 81 and name CB))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2127 ppm1 1.89 ppm2 4.10 volume 1.85e+08 { 2127 } assi (((resi 81 and name HB1)) and bondedto ((resi 81 and name CB))) ((resi 81 and name HB2)) 6.0 0.1 0.1 peak 2128 ppm1 2.30 ppm2 1.92 volume 8.19e+08 { 2128 } assi (((resi 81 and name HB1)) and bondedto ((resi 81 and name CB))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2129 ppm1 2.29 ppm2 3.70 volume 1.18e+08 { 2129 } assi (((resi 81 and name HB2)) and bondedto ((resi 81 and name CB))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2130 ppm1 1.90 ppm2 3.71 volume 2.20e+08 { 2130 } assi (((resi 81 and name HB1)) and bondedto ((resi 81 and name CB))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2131 ppm1 2.29 ppm2 8.41 volume 9.08e+07 { 2131 } assi (((resi 81 and name HB2)) and bondedto ((resi 81 and name CB))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2132 ppm1 1.91 ppm2 8.41 volume 3.10e+07 { 2132 } assi (((resi 81 and name HD#)) and bondedto ((resi 81 and name CD))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 2133 ppm1 3.71 ppm2 0.92 volume 3.31e+07 { 2133 } assi (((resi 81 and name HD#)) and bondedto ((resi 81 and name CD))) ((resi 80 and name HN)) 6.0 0.1 0.1 peak 2134 ppm1 3.71 ppm2 8.06 volume 4.84e+06 { 2134 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 2135 ppm1 2.23 ppm2 8.04 volume 4.48e+06 { 2135 } assi (((resi 81 and name HG2)) and bondedto ((resi 81 and name CG))) ((resi 28 and name HN)) 6.0 0.1 0.1 peak 2136 ppm1 2.05 ppm2 8.05 volume 2.98e+06 { 2136 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 80 and name HA)) 6.0 0.1 0.1 peak 2137 ppm1 2.23 ppm2 4.67 volume 1.25e+07 { 2137 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2138 ppm1 2.23 ppm2 4.12 volume 2.01e+07 { 2138 } assi (((resi 81 and name HG2)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2139 ppm1 2.05 ppm2 4.13 volume 2.17e+07 { 2139 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HB2)) 6.0 0.1 0.1 peak 2140 ppm1 2.23 ppm2 1.91 volume 7.34e+08 { 2140 } assi (((resi 81 and name HG2)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HB2)) 6.0 0.1 0.1 peak 2141 ppm1 2.05 ppm2 1.93 volume 8.21e+08 { 2141 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2142 ppm1 2.21 ppm2 3.70 volume 3.53e+07 { 2142 } assi (((resi 81 and name HG2)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HD#)) 6.0 0.1 0.1 peak 2143 ppm1 2.06 ppm2 3.71 volume 2.57e+07 { 2143 } assi (((resi 81 and name HG2)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HG1)) 6.0 0.1 0.1 peak 2144 ppm1 2.06 ppm2 2.23 volume 1.25e+09 { 2144 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 81 and name HG2)) 6.0 0.1 0.1 peak 2145 ppm1 2.23 ppm2 2.05 volume 1.37e+09 { 2145 } assi (((resi 81 and name HG1)) and bondedto ((resi 81 and name CG))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2146 ppm1 2.23 ppm2 8.42 volume 4.24e+06 { 2146 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 45 and name HB2)) 6.0 0.1 0.1 peak 2147 ppm1 5.24 ppm2 1.94 volume 3.63e+07 { 2147 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 45 and name HG#)) 6.0 0.1 0.1 peak 2148 ppm1 5.24 ppm2 2.25 volume 4.18e+07 { 2148 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 2149 ppm1 5.24 ppm2 3.46 volume 1.60e+07 { 2149 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 2150 ppm1 5.23 ppm2 8.65 volume 4.03e+06 { 2150 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2151 ppm1 5.25 ppm2 7.32 volume 6.59e+06 { 2151 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 2152 ppm1 5.24 ppm2 2.12 volume 2.55e+07 { 2152 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 2153 ppm1 5.24 ppm2 1.35 volume 3.23e+07 { 2153 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2154 ppm1 5.24 ppm2 8.39 volume 9.55e+06 { 2154 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 83 and name HB2)) 6.0 0.1 0.1 peak 2155 ppm1 5.24 ppm2 1.66 volume 7.44e+06 { 2155 } assi (((resi 82 and name HA)) and bondedto ((resi 82 and name CA))) ((resi 83 and name HN)) 6.0 0.1 0.1 peak 2156 ppm1 5.24 ppm2 8.26 volume 5.14e+07 { 2156 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 2157 ppm1 2.13 ppm2 0.92 volume 1.66e+08 { 2157 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 46 and name HA1)) 6.0 0.1 0.1 peak 2158 ppm1 2.12 ppm2 4.55 volume 6.75e+07 { 2158 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2159 ppm1 2.13 ppm2 7.33 volume 6.20e+06 { 2159 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2160 ppm1 2.12 ppm2 4.11 volume 4.84e+07 { 2160 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 2161 ppm1 2.13 ppm2 5.25 volume 1.75e+07 { 2161 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 82 and name HG2#)) 6.0 0.1 0.1 peak 2162 ppm1 2.13 ppm2 1.35 volume 3.73e+08 { 2162 } assi (((resi 82 and name HB)) and bondedto ((resi 82 and name CB))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2163 ppm1 2.12 ppm2 8.40 volume 1.69e+07 { 2163 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 24 and name HE3)) 6.0 0.1 0.1 peak 2164 ppm1 1.36 ppm2 6.65 volume 4.95e+06 { 2164 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 24 and name HZ3)) 6.0 0.1 0.1 peak 2165 ppm1 1.36 ppm2 6.93 volume 7.95e+06 { 2165 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 28 and name HG2#)) 6.0 0.1 0.1 peak 2166 ppm1 1.36 ppm2 0.91 volume 4.52e+08 { 2166 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 2167 ppm1 1.36 ppm2 0.69 volume 1.73e+08 { 2167 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 2168 ppm1 1.36 ppm2 0.56 volume 2.11e+08 { 2168 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 46 and name HA1)) 6.0 0.1 0.1 peak 2169 ppm1 1.36 ppm2 4.55 volume 2.20e+07 { 2169 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 46 and name HA2)) 6.0 0.1 0.1 peak 2170 ppm1 1.36 ppm2 3.45 volume 1.15e+07 { 2170 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 46 and name HN)) 6.0 0.1 0.1 peak 2171 ppm1 1.36 ppm2 8.63 volume 5.49e+06 { 2171 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2172 ppm1 1.36 ppm2 7.33 volume 2.08e+07 { 2172 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 48 and name HG1#)) 6.0 0.1 0.1 peak 2173 ppm1 1.36 ppm2 0.40 volume 7.11e+07 { 2173 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2174 ppm1 1.36 ppm2 4.10 volume 8.76e+06 { 2174 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 2175 ppm1 1.36 ppm2 5.25 volume 4.80e+07 { 2175 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 2176 ppm1 1.36 ppm2 2.12 volume 2.40e+08 { 2176 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2177 ppm1 1.36 ppm2 8.39 volume 1.46e+07 { 2177 } assi (((resi 82 and name HG1#)) and bondedto ((resi 82 and name CG1))) ((resi 83 and name HN)) 6.0 0.1 0.1 peak 2178 ppm1 1.36 ppm2 8.25 volume 3.94e+07 { 2178 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 24 and name HE3)) 6.0 0.1 0.1 peak 2179 ppm1 1.32 ppm2 6.65 volume 2.49e+07 { 2179 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 24 and name HH2)) 6.0 0.1 0.1 peak 2180 ppm1 1.32 ppm2 7.06 volume 1.22e+07 { 2180 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 24 and name HZ3)) 6.0 0.1 0.1 peak 2181 ppm1 1.32 ppm2 6.93 volume 9.24e+06 { 2181 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 26 and name HB2)) 6.0 0.1 0.1 peak 2182 ppm1 1.32 ppm2 0.20 volume 1.06e+07 { 2182 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 26 and name HN)) 6.0 0.1 0.1 peak 2183 ppm1 1.32 ppm2 8.17 volume 1.99e+07 { 2183 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 2184 ppm1 1.32 ppm2 0.69 volume 5.31e+07 { 2184 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 43 and name HG2#)) 6.0 0.1 0.1 peak 2185 ppm1 1.32 ppm2 0.56 volume 3.32e+07 { 2185 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 47 and name HN)) 6.0 0.1 0.1 peak 2186 ppm1 1.32 ppm2 7.33 volume 7.28e+06 { 2186 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 78 and name HG1#)) 6.0 0.1 0.1 peak 2187 ppm1 1.32 ppm2 0.94 volume 3.32e+08 { 2187 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 81 and name HA)) 6.0 0.1 0.1 peak 2188 ppm1 1.32 ppm2 4.11 volume 1.25e+07 { 2188 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 82 and name HA)) 6.0 0.1 0.1 peak 2189 ppm1 1.32 ppm2 5.26 volume 2.99e+07 { 2189 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 82 and name HB)) 6.0 0.1 0.1 peak 2190 ppm1 1.32 ppm2 2.12 volume 2.31e+08 { 2190 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 82 and name HN)) 6.0 0.1 0.1 peak 2191 ppm1 1.32 ppm2 8.40 volume 3.69e+07 { 2191 } assi (((resi 82 and name HG2#)) and bondedto ((resi 82 and name CG2))) ((resi 83 and name HB1)) 6.0 0.1 0.1 peak 2192 ppm1 1.32 ppm2 1.75 volume 1.42e+08 { 2192 } assi (((resi 83 and name HA)) and bondedto ((resi 83 and name CA))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 2193 ppm1 5.28 ppm2 0.76 volume 4.71e+06 { 2193 } assi (((resi 83 and name HA)) and bondedto ((resi 83 and name CA))) ((resi 82 and name HG1#)) 6.0 0.1 0.1 peak 2194 ppm1 5.28 ppm2 1.35 volume 7.60e+06 { 2194 } assi (((resi 83 and name HA)) and bondedto ((resi 83 and name CA))) ((resi 84 and name HN)) 6.0 0.1 0.1 peak 2195 ppm1 5.28 ppm2 9.80 volume 2.81e+06 { 2195 } assi (((resi 83 and name HB1)) and bondedto ((resi 83 and name CB))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 2196 ppm1 1.73 ppm2 0.77 volume 1.15e+08 { 2196 } assi (((resi 83 and name HB2)) and bondedto ((resi 83 and name CB))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 2197 ppm1 1.65 ppm2 0.77 volume 1.07e+08 { 2197 } assi (((resi 83 and name HB1)) and bondedto ((resi 83 and name CB))) ((resi 83 and name HA)) 6.0 0.1 0.1 peak 2198 ppm1 1.72 ppm2 5.27 volume 1.32e+07 { 2198 } assi (((resi 83 and name HB2)) and bondedto ((resi 83 and name CB))) ((resi 83 and name HA)) 6.0 0.1 0.1 peak 2199 ppm1 1.65 ppm2 5.27 volume 1.12e+07 { 2199 } assi (((resi 83 and name HB1)) and bondedto ((resi 83 and name CB))) ((resi 83 and name HD1)) 6.0 0.1 0.1 peak 2200 ppm1 1.72 ppm2 3.16 volume 8.17e+06 { 2200 } assi (((resi 83 and name HB2)) and bondedto ((resi 83 and name CB))) ((resi 83 and name HD1)) 6.0 0.1 0.1 peak 2201 ppm1 1.65 ppm2 3.15 volume 8.57e+06 { 2201 } assi (((resi 83 and name HB1)) and bondedto ((resi 83 and name CB))) ((resi 83 and name HN)) 6.0 0.1 0.1 peak 2202 ppm1 1.73 ppm2 8.26 volume 4.11e+06 { 2202 } assi (((resi 83 and name HB2)) and bondedto ((resi 83 and name CB))) ((resi 83 and name HN)) 6.0 0.1 0.1 peak 2203 ppm1 1.66 ppm2 8.26 volume 5.82e+06 { 2203 } assi (((resi 83 and name HD1)) and bondedto ((resi 83 and name CD))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 2204 ppm1 3.12 ppm2 0.78 volume 1.08e+07 { 2204 } assi (((resi 83 and name HD2)) and bondedto ((resi 83 and name CD))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 2205 ppm1 3.20 ppm2 0.77 volume 1.11e+07 { 2205 } assi (((resi 83 and name HD2)) and bondedto ((resi 83 and name CD))) ((resi 83 and name HA)) 6.0 0.1 0.1 peak 2206 ppm1 3.20 ppm2 5.28 volume 1.08e+07 { 2206 } assi (((resi 83 and name HG1)) and bondedto ((resi 83 and name CG))) ((resi 44 and name HD1#)) 6.0 0.1 0.1 peak 2207 ppm1 1.49 ppm2 0.77 volume 1.07e+08 { 2207 } assi (((resi 83 and name HG1)) and bondedto ((resi 83 and name CG))) ((resi 83 and name HA)) 6.0 0.1 0.1 peak 2208 ppm1 1.49 ppm2 5.27 volume 1.01e+07 { 2208 } assi (((resi 83 and name HG2)) and bondedto ((resi 83 and name CG))) ((resi 83 and name HA)) 6.0 0.1 0.1 peak 2209 ppm1 1.62 ppm2 5.28 volume 9.90e+06 { 2209 } assi (((resi 83 and name HG1)) and bondedto ((resi 83 and name CG))) ((resi 83 and name HD1)) 6.0 0.1 0.1 peak 2210 ppm1 1.49 ppm2 3.16 volume 1.33e+07 { 2210 } assi (((resi 83 and name HG2)) and bondedto ((resi 83 and name CG))) ((resi 83 and name HD1)) 6.0 0.1 0.1 peak 2211 ppm1 1.62 ppm2 3.17 volume 1.44e+07 { 2211 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 43 and name HA)) 6.0 0.1 0.1 peak 2212 ppm1 5.89 ppm2 4.05 volume 1.42e+07 { 2212 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 2213 ppm1 5.89 ppm2 0.72 volume 5.87e+06 { 2213 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 44 and name HD2#)) 6.0 0.1 0.1 peak 2214 ppm1 5.90 ppm2 1.19 volume 2.14e+07 { 2214 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 44 and name HN)) 6.0 0.1 0.1 peak 2215 ppm1 5.88 ppm2 8.62 volume 1.49e+07 { 2215 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 84 and name HB2)) 6.0 0.1 0.1 peak 2216 ppm1 5.88 ppm2 1.74 volume 2.42e+07 { 2216 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 84 and name HG1)) 6.0 0.1 0.1 peak 2217 ppm1 5.88 ppm2 2.11 volume 1.62e+07 { 2217 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 2218 ppm1 5.88 ppm2 1.36 volume 6.81e+06 { 2218 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 84 and name HN)) 6.0 0.1 0.1 peak 2219 ppm1 5.88 ppm2 9.80 volume 4.92e+05 { 2219 } assi (((resi 84 and name HA)) and bondedto ((resi 84 and name CA))) ((resi 85 and name HN)) 6.0 0.1 0.1 peak 2220 ppm1 5.88 ppm2 8.99 volume 2.33e+07 { 2220 } assi (((resi 84 and name HB1)) and bondedto ((resi 84 and name CB))) ((resi 24 and name HB2)) 6.0 0.1 0.1 peak 2221 ppm1 2.12 ppm2 3.16 volume 3.41e+06 { 2221 } assi (((resi 84 and name HB2)) and bondedto ((resi 84 and name CB))) ((resi 24 and name HB2)) 6.0 0.1 0.1 peak 2222 ppm1 1.76 ppm2 3.17 volume 6.06e+06 { 2222 } assi (((resi 84 and name HB1)) and bondedto ((resi 84 and name CB))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 2223 ppm1 2.12 ppm2 0.70 volume 5.57e+06 { 2223 } assi (((resi 84 and name HB2)) and bondedto ((resi 84 and name CB))) ((resi 43 and name HD1#)) 6.0 0.1 0.1 peak 2224 ppm1 1.75 ppm2 0.69 volume 7.00e+06 { 2224 } assi (((resi 84 and name HB1)) and bondedto ((resi 84 and name CB))) ((resi 84 and name HA)) 6.0 0.1 0.1 peak 2225 ppm1 2.12 ppm2 5.90 volume 5.49e+06 { 2225 } assi (((resi 84 and name HB2)) and bondedto ((resi 84 and name CB))) ((resi 84 and name HA)) 6.0 0.1 0.1 peak 2226 ppm1 1.75 ppm2 5.89 volume 8.01e+06 { 2226 } assi (((resi 84 and name HB2)) and bondedto ((resi 84 and name CB))) ((resi 84 and name HB1)) 6.0 0.1 0.1 peak 2227 ppm1 1.76 ppm2 2.11 volume 1.51e+08 { 2227 } assi (((resi 84 and name HB1)) and bondedto ((resi 84 and name CB))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 2228 ppm1 2.13 ppm2 1.37 volume 1.29e+08 { 2228 } assi (((resi 84 and name HB2)) and bondedto ((resi 84 and name CB))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 2229 ppm1 1.76 ppm2 1.37 volume 1.30e+08 { 2229 } assi (((resi 84 and name HB2)) and bondedto ((resi 84 and name CB))) ((resi 85 and name HN)) 6.0 0.1 0.1 peak 2230 ppm1 1.77 ppm2 9.00 volume 4.10e+06 { 2230 } assi (((resi 84 and name HG1)) and bondedto ((resi 84 and name CG))) ((resi 24 and name HB1)) 6.0 0.1 0.1 peak 2231 ppm1 2.10 ppm2 2.71 volume 2.54e+07 { 2231 } assi (((resi 84 and name HG1)) and bondedto ((resi 84 and name CG))) ((resi 24 and name HB2)) 6.0 0.1 0.1 peak 2232 ppm1 2.09 ppm2 3.13 volume 3.99e+07 { 2232 } assi (((resi 84 and name HG2)) and bondedto ((resi 84 and name CG))) ((resi 24 and name HB2)) 6.0 0.1 0.1 peak 2233 ppm1 1.38 ppm2 3.14 volume 2.18e+07 { 2233 } assi (((resi 84 and name HG2)) and bondedto ((resi 84 and name CG))) ((resi 42 and name HB2)) 6.0 0.1 0.1 peak 2234 ppm1 1.36 ppm2 2.69 volume 3.34e+07 { 2234 } assi (((resi 84 and name HG1)) and bondedto ((resi 84 and name CG))) ((resi 84 and name HB2)) 6.0 0.1 0.1 peak 2235 ppm1 2.10 ppm2 1.76 volume 6.49e+07 { 2235 } assi (((resi 84 and name HG1)) and bondedto ((resi 84 and name CG))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 2236 ppm1 2.10 ppm2 1.35 volume 9.29e+07 { 2236 } assi (((resi 84 and name HG1)) and bondedto ((resi 84 and name CG))) ((resi 84 and name HN)) 6.0 0.1 0.1 peak 2237 ppm1 2.11 ppm2 9.80 volume 7.28e+05 { 2237 } assi (((resi 84 and name HG1)) and bondedto ((resi 84 and name CG))) ((resi 85 and name HD2)) 6.0 0.1 0.1 peak 2238 ppm1 2.09 ppm2 7.07 volume 3.06e+07 { 2238 } assi (((resi 84 and name HG2)) and bondedto ((resi 84 and name CG))) ((resi 85 and name HD2)) 6.0 0.1 0.1 peak 2239 ppm1 1.38 ppm2 7.06 volume 1.30e+07 { 2239 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 23 and name HA)) 6.0 0.1 0.1 peak 2240 ppm1 6.06 ppm2 5.52 volume 1.68e+07 { 2240 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 23 and name HD1#)) 6.0 0.1 0.1 peak 2241 ppm1 6.08 ppm2 0.62 volume 5.79e+06 { 2241 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 23 and name HG2#)) 6.0 0.1 0.1 peak 2242 ppm1 6.07 ppm2 0.78 volume 9.46e+06 { 2242 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 85 and name HB1)) 6.0 0.1 0.1 peak 2243 ppm1 6.07 ppm2 3.73 volume 1.23e+07 { 2243 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 85 and name HB2)) 6.0 0.1 0.1 peak 2244 ppm1 6.07 ppm2 3.13 volume 8.52e+06 { 2244 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 85 and name HN)) 6.0 0.1 0.1 peak 2245 ppm1 6.05 ppm2 8.99 volume 7.89e+06 { 2245 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2246 ppm1 6.06 ppm2 6.83 volume 9.15e+06 { 2246 } assi (((resi 85 and name HA)) and bondedto ((resi 85 and name CA))) ((resi 86 and name HN)) 6.0 0.1 0.1 peak 2247 ppm1 6.06 ppm2 9.16 volume 2.88e+07 { 2247 } assi (((resi 85 and name HB1)) and bondedto ((resi 85 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 2248 ppm1 3.73 ppm2 -0.06 volume 4.49e+06 { 2248 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 18 and name HG*)) 6.0 0.1 0.1 peak 2249 ppm1 3.12 ppm2 -0.05 volume 7.11e+06 { 2249 } assi (((resi 85 and name HB1)) and bondedto ((resi 85 and name CB))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 2250 ppm1 3.72 ppm2 6.86 volume 6.58e+06 { 2250 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 42 and name HD#)) 6.0 0.1 0.1 peak 2251 ppm1 3.14 ppm2 6.83 volume 5.13e+06 { 2251 } assi (((resi 85 and name HB1)) and bondedto ((resi 85 and name CB))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 2252 ppm1 3.71 ppm2 6.72 volume 3.40e+06 { 2252 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 42 and name HE#)) 6.0 0.1 0.1 peak 2253 ppm1 3.14 ppm2 6.72 volume 4.14e+06 { 2253 } assi (((resi 85 and name HB1)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HA)) 6.0 0.1 0.1 peak 2254 ppm1 3.71 ppm2 6.07 volume 5.25e+06 { 2254 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HA)) 6.0 0.1 0.1 peak 2255 ppm1 3.14 ppm2 6.06 volume 3.69e+06 { 2255 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HB1)) 6.0 0.1 0.1 peak 2256 ppm1 3.15 ppm2 3.76 volume 2.30e+07 { 2256 } assi (((resi 85 and name HB1)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HB2)) 6.0 0.1 0.1 peak 2257 ppm1 3.73 ppm2 3.13 volume 1.37e+07 { 2257 } assi (((resi 85 and name HB1)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HD2)) 6.0 0.1 0.1 peak 2258 ppm1 3.72 ppm2 7.09 volume 3.93e+06 { 2258 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HD2)) 6.0 0.1 0.1 peak 2259 ppm1 3.12 ppm2 7.09 volume 2.96e+06 { 2259 } assi (((resi 85 and name HB2)) and bondedto ((resi 85 and name CB))) ((resi 85 and name HN)) 6.0 0.1 0.1 peak 2260 ppm1 3.14 ppm2 8.99 volume 5.21e+07 { 2260 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 21 and name HE3)) 6.0 0.1 0.1 peak 2261 ppm1 5.97 ppm2 7.11 volume 4.49e+06 { 2261 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 41 and name HA)) 6.0 0.1 0.1 peak 2262 ppm1 5.96 ppm2 6.31 volume 1.49e+07 { 2262 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 41 and name HB1)) 6.0 0.1 0.1 peak 2263 ppm1 5.96 ppm2 3.80 volume 3.85e+07 { 2263 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 42 and name HN)) 6.0 0.1 0.1 peak 2264 ppm1 5.98 ppm2 9.62 volume 6.49e+06 { 2264 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 84 and name HG2)) 6.0 0.1 0.1 peak 2265 ppm1 5.95 ppm2 1.38 volume 4.75e+06 { 2265 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 86 and name HB1)) 6.0 0.1 0.1 peak 2266 ppm1 5.96 ppm2 3.08 volume 1.40e+07 { 2266 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 86 and name HB2)) 6.0 0.1 0.1 peak 2267 ppm1 5.97 ppm2 2.68 volume 1.14e+07 { 2267 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2268 ppm1 5.95 ppm2 6.83 volume 6.23e+06 { 2268 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 87 and name HN)) 6.0 0.1 0.1 peak 2269 ppm1 5.96 ppm2 8.82 volume 2.08e+07 { 2269 } assi (((resi 86 and name HA)) and bondedto ((resi 86 and name CA))) ((resi 88 and name HG)) 6.0 0.1 0.1 peak 2270 ppm1 5.96 ppm2 1.85 volume 4.31e+06 { 2270 } assi (((resi 86 and name HB1)) and bondedto ((resi 86 and name CB))) ((resi 86 and name HA)) 6.0 0.1 0.1 peak 2271 ppm1 3.07 ppm2 5.97 volume 5.30e+06 { 2271 } assi (((resi 86 and name HB2)) and bondedto ((resi 86 and name CB))) ((resi 86 and name HA)) 6.0 0.1 0.1 peak 2272 ppm1 2.67 ppm2 5.96 volume 5.15e+06 { 2272 } assi (((resi 86 and name HB2)) and bondedto ((resi 86 and name CB))) ((resi 86 and name HB1)) 6.0 0.1 0.1 peak 2273 ppm1 2.67 ppm2 3.07 volume 1.14e+08 { 2273 } assi (((resi 86 and name HB1)) and bondedto ((resi 86 and name CB))) ((resi 86 and name HB2)) 6.0 0.1 0.1 peak 2274 ppm1 3.06 ppm2 2.66 volume 1.10e+08 { 2274 } assi (((resi 86 and name HB1)) and bondedto ((resi 86 and name CB))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2275 ppm1 3.06 ppm2 6.82 volume 8.01e+06 { 2275 } assi (((resi 86 and name HB2)) and bondedto ((resi 86 and name CB))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2276 ppm1 2.67 ppm2 6.83 volume 7.56e+06 { 2276 } assi (((resi 87 and name HA)) and bondedto ((resi 87 and name CA))) ((resi 87 and name HB1)) 6.0 0.1 0.1 peak 2277 ppm1 4.38 ppm2 -0.00 volume 1.74e+07 { 2277 } assi (((resi 87 and name HA)) and bondedto ((resi 87 and name CA))) ((resi 87 and name HB2)) 6.0 0.1 0.1 peak 2278 ppm1 4.38 ppm2 1.42 volume 1.72e+07 { 2278 } assi (((resi 87 and name HA)) and bondedto ((resi 87 and name CA))) ((resi 87 and name HN)) 6.0 0.1 0.1 peak 2279 ppm1 4.38 ppm2 8.82 volume 9.66e+06 { 2279 } assi (((resi 87 and name HA)) and bondedto ((resi 87 and name CA))) ((resi 88 and name HB1)) 6.0 0.1 0.1 peak 2280 ppm1 4.39 ppm2 1.77 volume 9.46e+06 { 2280 } assi (((resi 87 and name HA)) and bondedto ((resi 87 and name CA))) ((resi 88 and name HD1#)) 6.0 0.1 0.1 peak 2281 ppm1 4.38 ppm2 0.95 volume 4.25e+06 { 2281 } assi (((resi 87 and name HA)) and bondedto ((resi 87 and name CA))) ((resi 88 and name HN)) 6.0 0.1 0.1 peak 2282 ppm1 4.38 ppm2 7.95 volume 4.61e+07 { 2282 } assi (((resi 87 and name HB1)) and bondedto ((resi 87 and name CB))) ((resi 40 and name HB)) 6.0 0.1 0.1 peak 2283 ppm1 0.01 ppm2 3.85 volume 6.81e+06 { 2283 } assi (((resi 87 and name HB2)) and bondedto ((resi 87 and name CB))) ((resi 40 and name HB)) 6.0 0.1 0.1 peak 2284 ppm1 1.42 ppm2 3.86 volume 6.89e+06 { 2284 } assi (((resi 87 and name HB1)) and bondedto ((resi 87 and name CB))) ((resi 41 and name HA)) 6.0 0.1 0.1 peak 2285 ppm1 0.01 ppm2 6.29 volume 9.37e+06 { 2285 } assi (((resi 87 and name HB2)) and bondedto ((resi 87 and name CB))) ((resi 41 and name HA)) 6.0 0.1 0.1 peak 2286 ppm1 1.42 ppm2 6.30 volume 5.32e+06 { 2286 } assi (((resi 87 and name HB1)) and bondedto ((resi 87 and name CB))) ((resi 87 and name HA)) 6.0 0.1 0.1 peak 2287 ppm1 0.01 ppm2 4.38 volume 1.60e+07 { 2287 } assi (((resi 87 and name HB2)) and bondedto ((resi 87 and name CB))) ((resi 87 and name HA)) 6.0 0.1 0.1 peak 2288 ppm1 1.42 ppm2 4.39 volume 1.33e+07 { 2288 } assi (((resi 87 and name HB2)) and bondedto ((resi 87 and name CB))) ((resi 87 and name HB1)) 6.0 0.1 0.1 peak 2289 ppm1 1.42 ppm2 0.00 volume 5.22e+07 { 2289 } assi (((resi 87 and name HB1)) and bondedto ((resi 87 and name CB))) ((resi 87 and name HB2)) 6.0 0.1 0.1 peak 2290 ppm1 0.01 ppm2 1.41 volume 5.46e+07 { 2290 } assi (((resi 87 and name HB1)) and bondedto ((resi 87 and name CB))) ((resi 87 and name HN)) 6.0 0.1 0.1 peak 2291 ppm1 0.01 ppm2 8.82 volume 8.84e+06 { 2291 } assi (((resi 87 and name HB2)) and bondedto ((resi 87 and name CB))) ((resi 87 and name HN)) 6.0 0.1 0.1 peak 2292 ppm1 1.42 ppm2 8.82 volume 9.95e+06 { 2292 } assi (((resi 88 and name HA)) and bondedto ((resi 88 and name CA))) ((resi 88 and name HB2)) 6.0 0.1 0.1 peak 2293 ppm1 5.22 ppm2 1.58 volume 1.37e+08 { 2293 } assi (((resi 88 and name HA)) and bondedto ((resi 88 and name CA))) ((resi 88 and name HD1#)) 6.0 0.1 0.1 peak 2294 ppm1 5.22 ppm2 0.94 volume 3.28e+07 { 2294 } assi (((resi 88 and name HA)) and bondedto ((resi 88 and name CA))) ((resi 88 and name HD2#)) 6.0 0.1 0.1 peak 2295 ppm1 5.21 ppm2 1.06 volume 1.28e+07 { 2295 } assi (((resi 88 and name HA)) and bondedto ((resi 88 and name CA))) ((resi 89 and name HD#)) 6.0 0.1 0.1 peak 2296 ppm1 5.23 ppm2 7.13 volume 5.65e+06 { 2296 } assi (((resi 88 and name HA)) and bondedto ((resi 88 and name CA))) ((resi 89 and name HN)) 6.0 0.1 0.1 peak 2297 ppm1 5.22 ppm2 8.08 volume 3.27e+07 { 2297 } assi (((resi 88 and name HB1)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HA)) 6.0 0.1 0.1 peak 2298 ppm1 1.75 ppm2 5.22 volume 6.09e+06 { 2298 } assi (((resi 88 and name HB2)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HA)) 6.0 0.1 0.1 peak 2299 ppm1 1.57 ppm2 5.22 volume 6.81e+06 { 2299 } assi (((resi 88 and name HB2)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HB1)) 6.0 0.1 0.1 peak 2300 ppm1 1.58 ppm2 1.75 volume 3.27e+08 { 2300 } assi (((resi 88 and name HB1)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HB2)) 6.0 0.1 0.1 peak 2301 ppm1 1.74 ppm2 1.58 volume 2.08e+08 { 2301 } assi (((resi 88 and name HB1)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HD2#)) 6.0 0.1 0.1 peak 2302 ppm1 1.73 ppm2 1.05 volume 3.82e+08 { 2302 } assi (((resi 88 and name HB2)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HD2#)) 6.0 0.1 0.1 peak 2303 ppm1 1.58 ppm2 1.05 volume 1.54e+08 { 2303 } assi (((resi 88 and name HB1)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HN)) 6.0 0.1 0.1 peak 2304 ppm1 1.74 ppm2 7.95 volume 7.08e+06 { 2304 } assi (((resi 88 and name HB2)) and bondedto ((resi 88 and name CB))) ((resi 88 and name HN)) 6.0 0.1 0.1 peak 2305 ppm1 1.58 ppm2 7.95 volume 6.15e+06 { 2305 } assi (((resi 88 and name HD1#)) and bondedto ((resi 88 and name CD1))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2306 ppm1 0.94 ppm2 6.83 volume 2.85e+07 { 2306 } assi (((resi 88 and name HD1#)) and bondedto ((resi 88 and name CD1))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 2307 ppm1 0.94 ppm2 6.66 volume 1.58e+07 { 2307 } assi (((resi 88 and name HD1#)) and bondedto ((resi 88 and name CD1))) ((resi 88 and name HA)) 6.0 0.1 0.1 peak 2308 ppm1 0.94 ppm2 5.24 volume 4.91e+07 { 2308 } assi (((resi 88 and name HD2#)) and bondedto ((resi 88 and name CD2))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2309 ppm1 1.05 ppm2 6.83 volume 6.40e+07 { 2309 } assi (((resi 88 and name HD2#)) and bondedto ((resi 88 and name CD2))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 2310 ppm1 1.05 ppm2 6.65 volume 1.17e+08 { 2310 } assi (((resi 88 and name HD2#)) and bondedto ((resi 88 and name CD2))) ((resi 88 and name HA)) 6.0 0.1 0.1 peak 2311 ppm1 1.05 ppm2 5.23 volume 4.30e+07 { 2311 } assi (((resi 88 and name HD2#)) and bondedto ((resi 88 and name CD2))) ((resi 88 and name HB1)) 6.0 0.1 0.1 peak 2312 ppm1 1.05 ppm2 1.78 volume 3.62e+08 { 2312 } assi (((resi 88 and name HD2#)) and bondedto ((resi 88 and name CD2))) ((resi 88 and name HB2)) 6.0 0.1 0.1 peak 2313 ppm1 1.05 ppm2 1.58 volume 2.96e+08 { 2313 } assi (((resi 88 and name HD2#)) and bondedto ((resi 88 and name CD2))) ((resi 88 and name HN)) 6.0 0.1 0.1 peak 2314 ppm1 1.05 ppm2 7.96 volume 4.30e+07 { 2314 } assi (((resi 88 and name HG)) and bondedto ((resi 88 and name CG))) ((resi 86 and name HD#)) 6.0 0.1 0.1 peak 2315 ppm1 1.80 ppm2 6.83 volume 5.90e+07 { 2315 } assi (((resi 88 and name HG)) and bondedto ((resi 88 and name CG))) ((resi 86 and name HE#)) 6.0 0.1 0.1 peak 2316 ppm1 1.81 ppm2 6.65 volume 4.63e+07 { 2316 } assi (((resi 88 and name HG)) and bondedto ((resi 88 and name CG))) ((resi 88 and name HN)) 6.0 0.1 0.1 peak 2317 ppm1 1.82 ppm2 7.96 volume 8.61e+06 { 2317 } assi (((resi 89 and name HA)) and bondedto ((resi 89 and name CA))) ((resi 89 and name HB#)) 6.0 0.1 0.1 peak 2318 ppm1 4.95 ppm2 3.04 volume 5.74e+08 { 2318 } assi (((resi 89 and name HA)) and bondedto ((resi 89 and name CA))) ((resi 89 and name HD#)) 6.0 0.1 0.1 peak 2319 ppm1 4.95 ppm2 7.11 volume 1.06e+07 { 2319 } assi (((resi 89 and name HA)) and bondedto ((resi 89 and name CA))) ((resi 89 and name HN)) 6.0 0.1 0.1 peak 2320 ppm1 4.95 ppm2 8.07 volume 1.22e+08 { 2320 } assi (((resi 89 and name HB#)) and bondedto ((resi 89 and name CB))) ((resi 89 and name HA)) 6.0 0.1 0.1 peak 2321 ppm1 3.04 ppm2 4.96 volume 1.92e+07 { 2321 } assi (((resi 89 and name HB#)) and bondedto ((resi 89 and name CB))) ((resi 89 and name HD#)) 6.0 0.1 0.1 peak 2322 ppm1 3.04 ppm2 7.13 volume 2.27e+07 { 2322 } assi (((resi 89 and name HB#)) and bondedto ((resi 89 and name CB))) ((resi 89 and name HN)) 6.0 0.1 0.1 peak 2323 ppm1 3.06 ppm2 8.07 volume 5.16e+06 { 2323 }
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