NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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561237 |
3zg4   |
18900 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 22 and name HA) ( resid 22 and name HB3) 3.3 0.7 0.7 volume=1.462 peak=2106 ppm1=4.177 ppm2=2.895 assign ( resid 67 and name HG2) ( resid 67 and name H) 4.2 0.8 0.8 volume=0.331 peak=1823 ppm1=1.913 ppm2=8.198 assign ( resid 65 and name HD3) ( resid 64 and name H) 4.7 0.9 0.9 volume=0.170 peak=2248 ppm1=3.703 ppm2=8.118 assign ( resid 35 and name HE3) ( resid 35 and name HG2) 3.5 0.7 0.7 volume=0.989 peak=1767 ppm1=2.838 ppm2=1.151 assign ( resid 100 and name HG2) ( resid 100 and name HD3) 3.4 0.7 0.7 volume=1.205 peak=994 ppm1=1.667 ppm2=3.106 assign ( resid 113 and name HE*) ( resid 116 and name HG) 3.9 0.8 0.8 volume=0.564 peak=1615 ppm1=2.087 ppm2=1.158 assign ( resid 41 and name HB2) ( resid 41 and name HD2) 4.3 0.9 0.9 volume=0.296 peak=2435 ppm1=2.035 ppm2=3.619 assign ( resid 124 and name HG2*) ( resid 124 and name H) 3.8 0.8 0.8 volume=0.613 peak=2242 ppm1=1.569 ppm2=7.415 assign ( resid 73 and name HA) ( resid 73 and name H) 4.9 1.0 1.0 volume=0.133 peak=3132 ppm1=5.752 ppm2=9.010 assign ( resid 75 and name HD2) ( resid 75 and name HB3) 4.4 0.9 0.9 volume=0.239 peak=1699 ppm1=3.153 ppm2=1.670 assign ( resid 39 and name HB3) ( resid 40 and name H) 4.1 0.8 0.8 volume=0.402 peak=3054 ppm1=1.830 ppm2=8.707 assign ( resid 115 and name HB2) ( resid 115 and name HG2) 3.1 0.6 0.6 volume=1.926 peak=924 ppm1=2.016 ppm2=2.350 assign ( resid 128 and name HB) ( resid 128 and name HG2*) 3.3 0.7 0.7 volume=1.432 peak=2914 ppm1=2.464 ppm2=0.843 assign ( resid 51 and name HA) ( resid 51 and name HG2) 3.0 0.6 0.6 volume=2.510 peak=3050 ppm1=4.938 ppm2=2.222 assign ( resid 127 and name HB3) ( resid 127 and name HG) 3.0 0.6 0.6 volume=2.761 peak=2993 ppm1=1.858 ppm2=1.755 assign ( resid 119 and name HB2) ( resid 120 and name HG1*) 4.5 0.9 0.9 volume=0.228 peak=2627 ppm1=2.131 ppm2=0.161 assign ( resid 8 and name HG2*) ( resid 120 and name HG1*) 4.2 0.8 0.8 volume=0.345 peak=2694 ppm1=0.880 ppm2=0.154 assign ( resid 119 and name HB2) ( resid 119 and name HG3) 4.0 0.8 0.8 volume=0.471 peak=2363 ppm1=2.138 ppm2=2.695 assign ( resid 111 and name HA) ( resid 110 and name HB2) 4.7 0.9 0.9 volume=0.171 peak=21 ppm1=3.889 ppm2=2.128 assign ( resid 8 and name HB) ( resid 8 and name HG2*) 3.3 0.7 0.7 volume=1.306 peak=1379 ppm1=1.895 ppm2=0.880 assign ( resid 41 and name HD2) ( resid 40 and name HA) 3.8 0.8 0.8 volume=0.608 peak=2493 ppm1=3.618 ppm2=4.478 assign ( resid 116 and name HB3) ( resid 117 and name H) 4.4 0.9 0.9 volume=0.245 peak=3162 ppm1=1.789 ppm2=8.858 assign ( resid 80 and name HA3) ( resid 80 and name H) 3.7 0.7 0.7 volume=0.754 peak=2100 ppm1=3.840 ppm2=7.915 assign ( resid 21 and name HA) ( resid 21 and name HB3) 3.5 0.7 0.7 volume=1.023 peak=2462 ppm1=4.545 ppm2=1.105 assign ( resid 97 and name HB3) ( resid 97 and name H) 5.1 1.0 1.0 volume=0.106 peak=1784 ppm1=3.095 ppm2=9.595 assign ( resid 120 and name HG1*) ( resid 121 and name H) 3.8 0.8 0.8 volume=0.649 peak=2184 ppm1=0.167 ppm2=8.105 assign ( resid 47 and name HA) ( resid 48 and name HB2) 4.8 1.0 1.0 volume=0.158 peak=1711 ppm1=4.032 ppm2=2.795 assign ( resid 57 and name HD3) ( resid 57 and name HE3) 3.0 0.6 0.6 volume=2.692 peak=1914 ppm1=1.518 ppm2=2.783 assign ( resid 116 and name HD1*) ( resid 116 and name HG) 3.1 0.6 0.6 volume=2.280 peak=79 ppm1=0.384 ppm2=1.158 assign ( resid 32 and name HB) ( resid 33 and name HA) 4.6 0.9 0.9 volume=0.193 peak=2520 ppm1=1.892 ppm2=4.866 assign ( resid 44 and name HA) ( resid 44 and name HB) 3.7 0.7 0.7 volume=0.726 peak=73 ppm1=4.470 ppm2=1.779 assign ( resid 49 and name HB2) ( resid 49 and name HB3) 3.4 0.7 0.7 volume=1.114 peak=2628 ppm1=2.614 ppm2=1.667 assign ( resid 109 and name HG2) ( resid 108 and name HA) 4.2 0.8 0.8 volume=0.351 peak=2063 ppm1=-0.094 ppm2=4.417 assign ( resid 108 and name HB) ( resid 108 and name HA) 4.4 0.9 0.9 volume=0.269 peak=1102 ppm1=3.416 ppm2=4.417 assign ( resid 129 and name HB3) ( resid 129 and name HD*) 3.7 0.7 0.7 volume=0.752 peak=1692 ppm1=3.196 ppm2=7.181 assign ( resid 90 and name HG2) ( resid 91 and name H) 3.9 0.8 0.8 volume=0.551 peak=2642 ppm1=1.950 ppm2=7.019 assign ( resid 98 and name HB3) ( resid 98 and name HE2) 4.3 0.9 0.9 volume=0.275 peak=3331 ppm1=1.433 ppm2=2.762 assign ( resid 36 and name HG2) ( resid 35 and name HA) 4.8 1.0 1.0 volume=0.150 peak=1791 ppm1=1.838 ppm2=5.117 assign ( resid 83 and name HG13) ( resid 83 and name HA) 4.6 0.9 0.9 volume=0.182 peak=1031 ppm1=0.703 ppm2=4.647 assign ( resid 20 and name HB3) ( resid 20 and name HE*) 4.1 0.8 0.8 volume=0.362 peak=2495 ppm1=1.867 ppm2=6.385 assign ( resid 83 and name HA) ( resid 84 and name HB3) 4.9 1.0 1.0 volume=0.128 peak=382 ppm1=4.647 ppm2=3.920 assign ( resid 57 and name HG2) ( resid 57 and name HD2) 2.9 0.6 0.6 volume=3.032 peak=195 ppm1=1.133 ppm2=1.506 assign ( resid 85 and name HB2) ( resid 85 and name HA) 4.3 0.9 0.9 volume=0.293 peak=3454 ppm1=2.710 ppm2=5.151 assign ( resid 49 and name HB2) ( resid 49 and name HD22) 3.9 0.8 0.8 volume=0.487 peak=2195 ppm1=2.613 ppm2=7.695 assign ( resid 50 and name HD2) ( resid 50 and name HB3) 3.3 0.7 0.7 volume=1.409 peak=2516 ppm1=1.820 ppm2=1.320 assign ( resid 74 and name HG2) ( resid 74 and name HA) 4.5 0.9 0.9 volume=0.212 peak=1998 ppm1=2.485 ppm2=4.900 assign ( resid 45 and name HB2) ( resid 76 and name HD1*) 4.6 0.9 0.9 volume=0.197 peak=2436 ppm1=3.983 ppm2=0.155 assign ( resid 85 and name HA) ( resid 85 and name HB3) 3.8 0.8 0.8 volume=0.576 peak=2592 ppm1=5.151 ppm2=2.372 assign ( resid 97 and name HA) ( resid 96 and name H) 4.6 0.9 0.9 volume=0.197 peak=2982 ppm1=3.739 ppm2=7.932 assign ( resid 41 and name HD3) ( resid 40 and name HB) 3.3 0.7 0.7 volume=1.536 peak=1665 ppm1=3.788 ppm2=3.703 assign ( resid 108 and name HA) ( resid 108 and name HG2*) 3.5 0.7 0.7 volume=0.932 peak=388 ppm1=4.419 ppm2=0.783 assign ( resid 50 and name HG2) ( resid 51 and name H) 5.0 1.0 1.0 volume=0.118 peak=20 ppm1=0.702 ppm2=9.519 assign ( resid 11 and name HB2) ( resid 12 and name H) 4.9 1.0 1.0 volume=0.140 peak=2884 ppm1=2.851 ppm2=9.562 assign ( resid 10 and name HG2*) ( resid 10 and name HB) 3.1 0.6 0.6 volume=2.183 peak=3364 ppm1=0.705 ppm2=2.140 assign ( resid 17 and name HE*) ( resid 29 and name HG1) 4.7 0.9 0.9 volume=0.164 peak=1387 ppm1=1.483 ppm2=5.519 assign ( resid 18 and name HB2) ( resid 18 and name HE3) 4.9 1.0 1.0 volume=0.128 peak=1922 ppm1=2.672 ppm2=7.913 assign ( resid 36 and name HD3) ( resid 35 and name HB3) 4.0 0.8 0.8 volume=0.464 peak=2074 ppm1=3.712 ppm2=1.447 assign ( resid 30 and name HB3) ( resid 29 and name HA) 4.1 0.8 0.8 volume=0.379 peak=1445 ppm1=2.659 ppm2=4.344 assign ( resid 31 and name HG13) ( resid 32 and name H) 4.5 0.9 0.9 volume=0.226 peak=1407 ppm1=0.499 ppm2=8.268 assign ( resid 88 and name HB3) ( resid 88 and name HD1) 4.0 0.8 0.8 volume=0.436 peak=2870 ppm1=3.335 ppm2=7.040 assign ( resid 27 and name HA) ( resid 28 and name HB2) 3.7 0.7 0.7 volume=0.703 peak=3487 ppm1=4.487 ppm2=1.930 assign ( resid 68 and name HB3) ( resid 69 and name HD3) 3.1 0.6 0.6 volume=2.236 peak=2464 ppm1=3.384 ppm2=3.591 assign ( resid 40 and name HG2*) ( resid 40 and name HB) 3.0 0.6 0.6 volume=2.484 peak=3205 ppm1=1.193 ppm2=3.713 assign ( resid 33 and name HB2) ( resid 33 and name H) 4.8 1.0 1.0 volume=0.152 peak=3017 ppm1=3.057 ppm2=8.601 assign ( resid 86 and name HB2) ( resid 86 and name H) 4.8 1.0 1.0 volume=0.158 peak=1321 ppm1=2.430 ppm2=8.065 assign ( resid 104 and name HA3) ( resid 104 and name HA2) 3.4 0.7 0.7 volume=1.230 peak=2771 ppm1=4.628 ppm2=3.228 assign ( resid 79 and name HB) ( resid 79 and name HG2*) 3.0 0.6 0.6 volume=2.345 peak=2073 ppm1=4.458 ppm2=1.084 assign ( resid 40 and name HA) ( resid 40 and name H) 4.4 0.9 0.9 volume=0.254 peak=1340 ppm1=4.466 ppm2=8.707 assign ( resid 119 and name HE*) ( resid 27 and name HD1*) 2.8 0.6 0.6 volume=3.520 peak=2249 ppm1=2.078 ppm2=0.634 assign ( resid 111 and name HB3) ( resid 111 and name H) 4.4 0.9 0.9 volume=0.261 peak=1794 ppm1=4.113 ppm2=8.925 assign ( resid 125 and name HD2) ( resid 125 and name HG2) 4.1 0.8 0.8 volume=0.409 peak=3469 ppm1=4.465 ppm2=2.358 assign ( resid 21 and name HA) ( resid 22 and name HB2) 3.9 0.8 0.8 volume=0.490 peak=839 ppm1=4.545 ppm2=2.675 assign ( resid 44 and name HG2*) ( resid 44 and name HA) 2.8 0.6 0.6 volume=3.640 peak=3460 ppm1=0.895 ppm2=4.470 assign ( resid 83 and name HG13) ( resid 83 and name HG2*) 3.0 0.6 0.6 volume=2.685 peak=1607 ppm1=0.703 ppm2=0.743 assign ( resid 121 and name HB3) ( resid 122 and name H) 3.9 0.8 0.8 volume=0.541 peak=137 ppm1=2.070 ppm2=9.208 assign ( resid 67 and name HB3) ( resid 67 and name H) 3.6 0.7 0.7 volume=0.803 peak=3186 ppm1=1.665 ppm2=8.198 assign ( resid 23 and name HA3) ( resid 22 and name H) 4.4 0.9 0.9 volume=0.249 peak=500 ppm1=3.771 ppm2=8.648 assign ( resid 76 and name HG2*) ( resid 76 and name H) 3.8 0.8 0.8 volume=0.628 peak=3483 ppm1=0.611 ppm2=8.186 assign ( resid 98 and name HA) ( resid 98 and name HD2) 4.0 0.8 0.8 volume=0.472 peak=645 ppm1=3.084 ppm2=1.242 assign ( resid 8 and name HD1*) ( resid 120 and name HG1*) 2.8 0.6 0.6 volume=3.700 peak=1836 ppm1=0.630 ppm2=0.159 assign ( resid 96 and name HB3) ( resid 96 and name H) 4.2 0.8 0.8 volume=0.353 peak=1981 ppm1=1.131 ppm2=7.934 assign ( resid 57 and name HB3) ( resid 57 and name HD3) 2.9 0.6 0.6 volume=3.089 peak=3308 ppm1=1.663 ppm2=1.518 assign ( resid 21 and name HE3) ( resid 21 and name HG2) 2.8 0.6 0.6 volume=3.509 peak=3052 ppm1=3.015 ppm2=1.215 assign ( resid 109 and name HG2) ( resid 109 and name HG3) 3.5 0.7 0.7 volume=0.998 peak=2625 ppm1=-0.088 ppm2=1.386 assign ( resid 8 and name HG2*) ( resid 9 and name H) 3.4 0.7 0.7 volume=1.224 peak=3009 ppm1=0.880 ppm2=9.754 assign ( resid 27 and name HB3) ( resid 26 and name HB*) 3.9 0.8 0.8 volume=0.495 peak=2385 ppm1=1.785 ppm2=1.261 assign ( resid 71 and name HB2) ( resid 71 and name HA) 3.6 0.7 0.7 volume=0.858 peak=1327 ppm1=2.434 ppm2=4.315 assign ( resid 79 and name HB) ( resid 80 and name HA3) 4.7 0.9 0.9 volume=0.175 peak=1760 ppm1=4.457 ppm2=3.840 assign ( resid 36 and name HD2) ( resid 35 and name HA) 4.3 0.9 0.9 volume=0.293 peak=3493 ppm1=4.028 ppm2=5.117 assign ( resid 3 and name HE*) ( resid 3 and name HG2) 3.5 0.7 0.7 volume=1.073 peak=2112 ppm1=1.939 ppm2=2.341 assign ( resid 11 and name HB3) ( resid 11 and name HB2) 3.6 0.7 0.7 volume=0.815 peak=2788 ppm1=3.125 ppm2=2.850 assign ( resid 27 and name HA) ( resid 27 and name HG) 3.3 0.7 0.7 volume=1.435 peak=2717 ppm1=4.487 ppm2=1.531 assign ( resid 15 and name HG3) ( resid 15 and name HB2) 4.4 0.9 0.9 volume=0.267 peak=1262 ppm1=2.935 ppm2=2.243 assign ( resid 64 and name HA) ( resid 65 and name HG3) 3.7 0.7 0.7 volume=0.724 peak=1724 ppm1=4.570 ppm2=2.017 assign ( resid 88 and name HB3) ( resid 89 and name H) 4.6 0.9 0.9 volume=0.195 peak=2240 ppm1=3.338 ppm2=7.143 assign ( resid 125 and name HG2) ( resid 124 and name HA) 3.5 0.7 0.7 volume=0.943 peak=183 ppm1=2.358 ppm2=4.458 assign ( resid 56 and name HB2) ( resid 56 and name HB3) 3.5 0.7 0.7 volume=1.086 peak=1464 ppm1=1.397 ppm2=1.152 assign ( resid 69 and name HD3) ( resid 69 and name HB3) 3.2 0.6 0.6 volume=1.568 peak=2654 ppm1=3.591 ppm2=1.894 assign ( resid 28 and name HB2) ( resid 28 and name HA) 3.7 0.7 0.7 volume=0.681 peak=124 ppm1=1.930 ppm2=4.983 assign ( resid 76 and name HG2*) ( resid 75 and name HA) 4.1 0.8 0.8 volume=0.385 peak=1964 ppm1=0.614 ppm2=3.413 assign ( resid 29 and name HA) ( resid 29 and name HG2*) 3.4 0.7 0.7 volume=1.235 peak=2855 ppm1=4.347 ppm2=0.575 assign ( resid 15 and name HA) ( resid 15 and name HG3) 4.6 0.9 0.9 volume=0.196 peak=578 ppm1=3.384 ppm2=2.932 assign ( resid 118 and name HA2) ( resid 117 and name HA) 3.0 0.6 0.6 volume=2.311 peak=807 ppm1=3.811 ppm2=3.784 assign ( resid 42 and name HB*) ( resid 43 and name HA2) 4.3 0.9 0.9 volume=0.278 peak=34 ppm1=1.421 ppm2=3.627 assign ( resid 47 and name HB) ( resid 47 and name H) 4.2 0.8 0.8 volume=0.348 peak=3459 ppm1=1.957 ppm2=8.280 assign ( resid 94 and name HA2) ( resid 95 and name H) 3.5 0.7 0.7 volume=1.056 peak=49 ppm1=3.865 ppm2=8.550 assign ( resid 24 and name HD2) ( resid 24 and name HA) 4.0 0.8 0.8 volume=0.482 peak=1948 ppm1=1.708 ppm2=4.763 assign ( resid 79 and name HA) ( resid 79 and name HG2*) 3.2 0.6 0.6 volume=1.615 peak=1446 ppm1=4.683 ppm2=1.094 assign ( resid 81 and name HG1*) ( resid 81 and name H) 3.1 0.6 0.6 volume=1.955 peak=1502 ppm1=0.781 ppm2=8.693 assign ( resid 96 and name HA) ( resid 96 and name HG) 3.7 0.7 0.7 volume=0.767 peak=3220 ppm1=3.874 ppm2=1.726 assign ( resid 86 and name HA) ( resid 88 and name H) 4.2 0.8 0.8 volume=0.313 peak=2185 ppm1=3.622 ppm2=7.023 assign ( resid 57 and name HA) ( resid 58 and name H) 3.3 0.7 0.7 volume=1.518 peak=1386 ppm1=4.620 ppm2=6.611 assign ( resid 4 and name HA) ( resid 5 and name HB2) 3.6 0.7 0.7 volume=0.813 peak=400 ppm1=4.306 ppm2=2.693 assign ( resid 64 and name HA) ( resid 65 and name HG2) 3.7 0.7 0.7 volume=0.724 peak=1538 ppm1=4.570 ppm2=2.000 assign ( resid 115 and name HG2) ( resid 115 and name H) 3.5 0.7 0.7 volume=0.968 peak=638 ppm1=2.350 ppm2=6.759 assign ( resid 70 and name HB) ( resid 70 and name HG2*) 3.5 0.7 0.7 volume=0.962 peak=17 ppm1=2.685 ppm2=0.501 assign ( resid 126 and name HB) ( resid 126 and name HG2*) 3.3 0.7 0.7 volume=1.348 peak=2324 ppm1=1.797 ppm2=0.679 assign ( resid 12 and name HA) ( resid 11 and name HA) 5.0 1.0 1.0 volume=0.116 peak=1778 ppm1=3.700 ppm2=4.264 assign ( resid 20 and name HA) ( resid 21 and name H) 3.4 0.7 0.7 volume=1.203 peak=3007 ppm1=4.452 ppm2=8.459 assign ( resid 21 and name HD3) ( resid 21 and name H) 4.8 1.0 1.0 volume=0.142 peak=406 ppm1=1.757 ppm2=8.467 assign ( resid 101 and name HA2) ( resid 101 and name H) 4.5 0.9 0.9 volume=0.228 peak=2949 ppm1=4.331 ppm2=7.182 assign ( resid 67 and name HB3) ( resid 68 and name HA) 3.4 0.7 0.7 volume=1.252 peak=2935 ppm1=1.665 ppm2=4.917 assign ( resid 28 and name HB2) ( resid 28 and name H) 4.4 0.9 0.9 volume=0.264 peak=622 ppm1=1.930 ppm2=8.446 assign ( resid 13 and name HG3) ( resid 13 and name HB3) 2.2 0.4 0.4 volume=16.364 peak=94 ppm1=2.351 ppm2=2.211 assign ( resid 17 and name HG2) ( resid 17 and name HB2) 3.3 0.7 0.7 volume=1.417 peak=3431 ppm1=2.262 ppm2=1.654 assign ( resid 57 and name HD3) ( resid 57 and name HE2) 3.0 0.6 0.6 volume=2.692 peak=574 ppm1=1.518 ppm2=2.776 assign ( resid 114 and name HB3) ( resid 113 and name HA) 4.1 0.8 0.8 volume=0.411 peak=2364 ppm1=1.770 ppm2=4.093 assign ( resid 21 and name HE3) ( resid 21 and name HB3) 3.2 0.6 0.6 volume=1.733 peak=2337 ppm1=3.015 ppm2=1.105 assign ( resid 70 and name HB) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.679 peak=2014 ppm1=2.684 ppm2=10.377 assign ( resid 119 and name HB2) ( resid 119 and name H) 3.7 0.7 0.7 volume=0.676 peak=3503 ppm1=2.135 ppm2=7.349 assign ( resid 127 and name HA) ( resid 127 and name HB3) 3.4 0.7 0.7 volume=1.118 peak=3161 ppm1=5.066 ppm2=1.850 assign ( resid 67 and name HA) ( resid 67 and name HB3) 3.1 0.6 0.6 volume=1.940 peak=1829 ppm1=4.972 ppm2=1.665 assign ( resid 36 and name HG2) ( resid 36 and name HB3) 3.3 0.7 0.7 volume=1.513 peak=1565 ppm1=1.845 ppm2=2.016 assign ( resid 24 and name HG2) ( resid 25 and name H) 3.9 0.8 0.8 volume=0.556 peak=218 ppm1=1.408 ppm2=8.700 assign ( resid 125 and name HB2) ( resid 125 and name HA) 3.8 0.8 0.8 volume=0.612 peak=1898 ppm1=2.338 ppm2=4.491 assign ( resid 76 and name HA) ( resid 76 and name HG2*) 3.4 0.7 0.7 volume=1.284 peak=3141 ppm1=5.597 ppm2=0.611 assign ( resid 3 and name HB3) ( resid 2 and name HA) 4.6 0.9 0.9 volume=0.204 peak=3044 ppm1=1.911 ppm2=4.636 assign ( resid 108 and name HA) ( resid 109 and name HB3) 4.3 0.9 0.9 volume=0.311 peak=2557 ppm1=4.417 ppm2=1.330 assign ( resid 31 and name HG13) ( resid 31 and name HB) 4.0 0.8 0.8 volume=0.434 peak=202 ppm1=0.494 ppm2=1.864 assign ( resid 39 and name HD2) ( resid 39 and name HG3) 3.5 0.7 0.7 volume=1.089 peak=2380 ppm1=3.424 ppm2=1.990 assign ( resid 75 and name HD2) ( resid 73 and name HE1) 4.9 1.0 1.0 volume=0.140 peak=1318 ppm1=3.142 ppm2=10.115 assign ( resid 63 and name HA3) ( resid 62 and name H) 5.2 1.0 1.0 volume=0.091 peak=1983 ppm1=4.363 ppm2=7.731 assign ( resid 36 and name HD2) ( resid 36 and name HB3) 4.2 0.8 0.8 volume=0.316 peak=587 ppm1=4.030 ppm2=2.016 assign ( resid 41 and name HG2) ( resid 40 and name HA) 3.8 0.8 0.8 volume=0.610 peak=2349 ppm1=2.020 ppm2=4.485 assign ( resid 125 and name HB2) ( resid 125 and name HD2) 3.8 0.8 0.8 volume=0.601 peak=1374 ppm1=2.338 ppm2=4.465 assign ( resid 66 and name HB2) ( resid 66 and name HE*) 4.9 1.0 1.0 volume=0.140 peak=2343 ppm1=2.892 ppm2=5.994 assign ( resid 27 and name HB2) ( resid 27 and name HG) 3.4 0.7 0.7 volume=1.183 peak=939 ppm1=1.385 ppm2=1.531 assign ( resid 86 and name HB2) ( resid 86 and name HA) 4.4 0.9 0.9 volume=0.262 peak=1205 ppm1=2.431 ppm2=3.626 assign ( resid 116 and name HA) ( resid 116 and name HD2*) 3.4 0.7 0.7 volume=1.210 peak=748 ppm1=3.575 ppm2=0.629 assign ( resid 36 and name HA) ( resid 36 and name HB3) 3.2 0.6 0.6 volume=1.633 peak=2780 ppm1=4.379 ppm2=2.008 assign ( resid 117 and name HB2) ( resid 117 and name H) 4.1 0.8 0.8 volume=0.371 peak=463 ppm1=2.437 ppm2=8.861 assign ( resid 5 and name HA) ( resid 5 and name HB3) 2.9 0.6 0.6 volume=2.922 peak=3482 ppm1=4.677 ppm2=2.684 assign ( resid 16 and name HB3) ( resid 16 and name HA) 4.7 0.9 0.9 volume=0.165 peak=814 ppm1=2.484 ppm2=4.954 assign ( resid 57 and name HD2) ( resid 57 and name HA) 4.2 0.8 0.8 volume=0.342 peak=1157 ppm1=1.506 ppm2=4.621 assign ( resid 50 and name HD2) ( resid 50 and name HE2) 3.5 0.7 0.7 volume=0.980 peak=1338 ppm1=1.820 ppm2=3.005 assign ( resid 12 and name HB3) ( resid 12 and name HD1*) 3.5 0.7 0.7 volume=0.938 peak=2465 ppm1=0.955 ppm2=0.551 assign ( resid 76 and name HB) ( resid 76 and name HG2*) 3.5 0.7 0.7 volume=1.006 peak=894 ppm1=1.966 ppm2=0.611 assign ( resid 16 and name HB2) ( resid 16 and name H) 4.4 0.9 0.9 volume=0.271 peak=2564 ppm1=2.678 ppm2=8.058 assign ( resid 39 and name HA) ( resid 38 and name H) 5.4 1.1 1.1 volume=0.075 peak=2610 ppm1=4.183 ppm2=7.728 assign ( resid 63 and name HA2) ( resid 62 and name H) 4.9 1.0 1.0 volume=0.140 peak=2784 ppm1=3.616 ppm2=7.730 assign ( resid 116 and name HG) ( resid 116 and name H) 4.5 0.9 0.9 volume=0.218 peak=1982 ppm1=1.144 ppm2=8.667 assign ( resid 9 and name HG3) ( resid 127 and name HD2*) 3.8 0.8 0.8 volume=0.581 peak=1897 ppm1=2.676 ppm2=0.850 assign ( resid 21 and name HA) ( resid 22 and name H) 3.1 0.6 0.6 volume=2.137 peak=2287 ppm1=4.545 ppm2=8.648 assign ( resid 105 and name HB2) ( resid 82 and name H) 4.6 0.9 0.9 volume=0.184 peak=2678 ppm1=2.937 ppm2=7.714 assign ( resid 65 and name HD3) ( resid 65 and name HB2) 3.8 0.8 0.8 volume=0.609 peak=1624 ppm1=3.703 ppm2=1.863 assign ( resid 128 and name HA) ( resid 128 and name H) 4.3 0.9 0.9 volume=0.273 peak=2904 ppm1=5.050 ppm2=9.118 assign ( resid 114 and name HE2) ( resid 114 and name HB3) 2.7 0.5 0.5 volume=4.820 peak=3092 ppm1=2.987 ppm2=1.770 assign ( resid 31 and name HG2*) ( resid 30 and name HA) 4.8 1.0 1.0 volume=0.151 peak=1548 ppm1=0.610 ppm2=5.329 assign ( resid 58 and name HA3) ( resid 59 and name HB) 3.0 0.6 0.6 volume=2.597 peak=2844 ppm1=3.369 ppm2=3.867 assign ( resid 127 and name HA) ( resid 127 and name H) 4.1 0.8 0.8 volume=0.366 peak=2774 ppm1=5.067 ppm2=9.576 assign ( resid 69 and name HB2) ( resid 69 and name HG2) 2.6 0.5 0.5 volume=5.414 peak=2847 ppm1=2.199 ppm2=1.893 assign ( resid 39 and name HD3) ( resid 39 and name HG3) 3.5 0.7 0.7 volume=1.044 peak=254 ppm1=3.399 ppm2=1.990 assign ( resid 31 and name HA) ( resid 31 and name HD1*) 4.2 0.8 0.8 volume=0.354 peak=2124 ppm1=5.090 ppm2=0.448 assign ( resid 59 and name HG2*) ( resid 63 and name H) 3.2 0.6 0.6 volume=1.724 peak=3349 ppm1=1.138 ppm2=8.128 assign ( resid 122 and name HG2) ( resid 122 and name HE2) 4.0 0.8 0.8 volume=0.440 peak=2396 ppm1=1.062 ppm2=3.049 assign ( resid 110 and name HB2) ( resid 110 and name HB3) 3.3 0.7 0.7 volume=1.415 peak=3187 ppm1=2.125 ppm2=2.646 assign ( resid 50 and name HB2) ( resid 50 and name HD3) 3.0 0.6 0.6 volume=2.434 peak=3153 ppm1=1.612 ppm2=1.700 assign ( resid 114 and name HA) ( resid 114 and name H) 3.6 0.7 0.7 volume=0.820 peak=2089 ppm1=2.797 ppm2=7.510 assign ( resid 90 and name HG2) ( resid 90 and name HD2) 3.6 0.7 0.7 volume=0.831 peak=1062 ppm1=1.950 ppm2=4.110 assign ( resid 27 and name HB2) ( resid 28 and name HA) 5.0 1.0 1.0 volume=0.119 peak=1906 ppm1=1.386 ppm2=4.983 assign ( resid 114 and name HE3) ( resid 114 and name HB3) 2.6 0.5 0.5 volume=5.670 peak=1680 ppm1=3.015 ppm2=1.770 assign ( resid 8 and name HB) ( resid 8 and name H) 4.2 0.8 0.8 volume=0.348 peak=1236 ppm1=1.895 ppm2=9.226 assign ( resid 96 and name HD1*) ( resid 96 and name HG) 2.8 0.6 0.6 volume=4.198 peak=2649 ppm1=0.623 ppm2=1.729 assign ( resid 109 and name HG2) ( resid 109 and name HA) 4.2 0.8 0.8 volume=0.338 peak=3126 ppm1=-0.094 ppm2=4.442 assign ( resid 128 and name HA) ( resid 127 and name H) 4.6 0.9 0.9 volume=0.200 peak=3347 ppm1=5.050 ppm2=9.576 assign ( resid 3 and name HA) ( resid 3 and name HB3) 3.1 0.6 0.6 volume=2.209 peak=3266 ppm1=4.347 ppm2=1.903 assign ( resid 110 and name HD2) ( resid 110 and name HB3) 4.8 1.0 1.0 volume=0.143 peak=883 ppm1=3.926 ppm2=2.648 assign ( resid 12 and name HA) ( resid 12 and name HD1*) 3.6 0.7 0.7 volume=0.788 peak=3289 ppm1=3.700 ppm2=0.562 assign ( resid 39 and name HB3) ( resid 39 and name HD2) 3.9 0.8 0.8 volume=0.532 peak=754 ppm1=1.829 ppm2=3.432 assign ( resid 13 and name HG3) ( resid 13 and name HB2) 2.6 0.5 0.5 volume=6.169 peak=1079 ppm1=2.351 ppm2=2.076 assign ( resid 67 and name HG2) ( resid 67 and name HG3) 2.4 0.5 0.5 volume=10.608 peak=1382 ppm1=1.914 ppm2=1.990 assign ( resid 17 and name HG2) ( resid 17 and name HE*) 3.3 0.7 0.7 volume=1.556 peak=44 ppm1=2.262 ppm2=1.481 assign ( resid 57 and name HB2) ( resid 57 and name HG3) 3.2 0.6 0.6 volume=1.755 peak=2356 ppm1=1.455 ppm2=1.143 assign ( resid 115 and name HB3) ( resid 116 and name HA) 5.0 1.0 1.0 volume=0.115 peak=2662 ppm1=2.004 ppm2=3.575 assign ( resid 39 and name HA) ( resid 40 and name HB) 3.8 0.8 0.8 volume=0.605 peak=3280 ppm1=4.183 ppm2=3.703 assign ( resid 97 and name HB3) ( resid 98 and name HA) 4.2 0.8 0.8 volume=0.319 peak=2879 ppm1=3.095 ppm2=3.084 assign ( resid 21 and name HB2) ( resid 21 and name HD3) 3.8 0.8 0.8 volume=0.583 peak=596 ppm1=1.520 ppm2=1.758 assign ( resid 35 and name HB2) ( resid 35 and name HA) 4.2 0.8 0.8 volume=0.325 peak=1573 ppm1=2.161 ppm2=5.117 assign ( resid 102 and name HB3) ( resid 102 and name HB2) 5.0 1.0 1.0 volume=0.125 peak=1728 ppm1=3.771 ppm2=4.945 assign ( resid 83 and name HD1*) ( resid 83 and name HA) 3.9 0.8 0.8 volume=0.522 peak=3303 ppm1=0.654 ppm2=4.649 assign ( resid 78 and name HB3) ( resid 78 and name HD1) 4.3 0.9 0.9 volume=0.298 peak=2360 ppm1=3.503 ppm2=6.956 assign ( resid 122 and name HG3) ( resid 122 and name HB2) 3.3 0.7 0.7 volume=1.484 peak=3302 ppm1=1.379 ppm2=1.692 assign ( resid 36 and name HB3) ( resid 36 and name HG3) 2.5 0.5 0.5 volume=8.245 peak=193 ppm1=2.010 ppm2=2.015 assign ( resid 125 and name HD2) ( resid 124 and name H) 5.3 1.1 1.1 volume=0.083 peak=945 ppm1=4.465 ppm2=7.420 assign ( resid 83 and name HG2*) ( resid 82 and name HA3) 4.3 0.9 0.9 volume=0.278 peak=2752 ppm1=0.740 ppm2=3.988 assign ( resid 27 and name HG) ( resid 27 and name HA) 3.4 0.7 0.7 volume=1.121 peak=1174 ppm1=1.532 ppm2=4.471 assign ( resid 119 and name HG2) ( resid 119 and name HA) 3.7 0.7 0.7 volume=0.732 peak=3403 ppm1=2.562 ppm2=4.455 assign ( resid 129 and name HB2) ( resid 129 and name H) 4.6 0.9 0.9 volume=0.199 peak=3031 ppm1=2.988 ppm2=8.830 assign ( resid 69 and name HD2) ( resid 68 and name HB2) 3.8 0.8 0.8 volume=0.599 peak=2992 ppm1=3.742 ppm2=3.447 assign ( resid 105 and name HB3) ( resid 81 and name HG2*) 4.5 0.9 0.9 volume=0.211 peak=1775 ppm1=3.493 ppm2=0.652 assign ( resid 127 and name HD2*) ( resid 127 and name H) 4.3 0.9 0.9 volume=0.298 peak=2070 ppm1=0.849 ppm2=9.578 assign ( resid 71 and name HB3) ( resid 72 and name HE*) 4.3 0.9 0.9 volume=0.304 peak=690 ppm1=1.766 ppm2=6.495 assign ( resid 56 and name HA) ( resid 56 and name HD1*) 3.2 0.6 0.6 volume=1.599 peak=1604 ppm1=4.017 ppm2=-0.684 assign ( resid 90 and name HA) ( resid 91 and name H) 4.3 0.9 0.9 volume=0.286 peak=2940 ppm1=4.492 ppm2=7.005 assign ( resid 47 and name HG1*) ( resid 48 and name H) 4.1 0.8 0.8 volume=0.398 peak=1410 ppm1=0.722 ppm2=8.001 assign ( resid 119 and name HE*) ( resid 19 and name HE*) 3.7 0.7 0.7 volume=0.761 peak=1266 ppm1=2.078 ppm2=6.509 assign ( resid 116 and name HB2) ( resid 116 and name HB3) 3.8 0.8 0.8 volume=0.660 peak=2679 ppm1=1.231 ppm2=1.778 assign ( resid 95 and name HB2) ( resid 95 and name HA) 3.7 0.7 0.7 volume=0.729 peak=132 ppm1=2.599 ppm2=5.166 assign ( resid 76 and name HG2*) ( resid 76 and name HD1*) 3.0 0.6 0.6 volume=2.593 peak=2219 ppm1=0.615 ppm2=0.150 assign ( resid 109 and name HB3) ( resid 109 and name HD2) 4.5 0.9 0.9 volume=0.224 peak=998 ppm1=1.330 ppm2=2.950 assign ( resid 39 and name HB2) ( resid 39 and name HA) 3.9 0.8 0.8 volume=0.551 peak=1677 ppm1=2.027 ppm2=4.183 assign ( resid 41 and name HB3) ( resid 41 and name HG3) 2.8 0.6 0.6 volume=3.570 peak=1697 ppm1=2.257 ppm2=1.974 assign ( resid 3 and name HB3) ( resid 3 and name HE*) 2.4 0.5 0.5 volume=10.876 peak=3311 ppm1=1.909 ppm2=1.931 assign ( resid 89 and name HB3) ( resid 89 and name HE21) 5.1 1.0 1.0 volume=0.106 peak=3200 ppm1=1.640 ppm2=7.597 assign ( resid 21 and name HE2) ( resid 21 and name HG2) 2.8 0.6 0.6 volume=3.860 peak=1659 ppm1=3.009 ppm2=1.215 assign ( resid 74 and name HG2) ( resid 74 and name H) 5.1 1.0 1.0 volume=0.107 peak=2927 ppm1=2.485 ppm2=7.924 assign ( resid 71 and name HB3) ( resid 71 and name HB2) 3.0 0.6 0.6 volume=2.327 peak=3210 ppm1=1.764 ppm2=2.436 assign ( resid 96 and name HB2) ( resid 97 and name H) 5.2 1.0 1.0 volume=0.090 peak=1450 ppm1=2.102 ppm2=9.595 assign ( resid 83 and name HA) ( resid 84 and name HB2) 6.1 1.2 1.2 volume=0.037 peak=3055 ppm1=4.647 ppm2=3.718 assign ( resid 90 and name HD2) ( resid 89 and name HB3) 4.7 0.9 0.9 volume=0.169 peak=403 ppm1=4.110 ppm2=1.639 assign ( resid 59 and name HG2*) ( resid 63 and name HA3) 3.1 0.6 0.6 volume=2.071 peak=31 ppm1=1.137 ppm2=4.361 assign ( resid 76 and name HG13) ( resid 76 and name HG12) 3.8 0.8 0.8 volume=0.651 peak=1148 ppm1=0.928 ppm2=1.929 assign ( resid 40 and name HA) ( resid 41 and name HD2) 3.4 0.7 0.7 volume=1.102 peak=1414 ppm1=4.469 ppm2=3.619 assign ( resid 8 and name HA) ( resid 8 and name HG2*) 3.5 0.7 0.7 volume=1.047 peak=3430 ppm1=5.319 ppm2=0.901 assign ( resid 33 and name HB3) ( resid 34 and name H) 4.9 1.0 1.0 volume=0.136 peak=3172 ppm1=4.554 ppm2=8.168 assign ( resid 41 and name HA) ( resid 40 and name HB) 4.3 0.9 0.9 volume=0.296 peak=120 ppm1=4.305 ppm2=3.703 assign ( resid 21 and name HB3) ( resid 21 and name HB2) 3.1 0.6 0.6 volume=2.075 peak=2217 ppm1=1.109 ppm2=1.517 assign ( resid 119 and name HG3) ( resid 119 and name HB2) 3.4 0.7 0.7 volume=1.148 peak=775 ppm1=2.711 ppm2=2.135 assign ( resid 83 and name HB) ( resid 83 and name HG2*) 3.2 0.6 0.6 volume=1.798 peak=984 ppm1=1.461 ppm2=0.743 assign ( resid 14 and name HB3) ( resid 15 and name H) 4.7 0.9 0.9 volume=0.168 peak=1939 ppm1=2.273 ppm2=8.047 assign ( resid 67 and name HG3) ( resid 67 and name H) 4.3 0.9 0.9 volume=0.276 peak=1734 ppm1=1.989 ppm2=8.203 assign ( resid 90 and name HG3) ( resid 90 and name HD2) 3.6 0.7 0.7 volume=0.839 peak=3239 ppm1=2.077 ppm2=4.110 assign ( resid 41 and name HA) ( resid 41 and name HD2) 4.2 0.8 0.8 volume=0.317 peak=270 ppm1=4.305 ppm2=3.619 assign ( resid 90 and name HG2) ( resid 89 and name HA) 4.5 0.9 0.9 volume=0.217 peak=2824 ppm1=1.950 ppm2=5.206 assign ( resid 15 and name HA) ( resid 15 and name HG2) 4.3 0.9 0.9 volume=0.284 peak=1274 ppm1=3.385 ppm2=2.087 assign ( resid 3 and name HA) ( resid 3 and name HB2) 3.3 0.7 0.7 volume=1.376 peak=2250 ppm1=4.346 ppm2=1.718 assign ( resid 39 and name HG3) ( resid 38 and name HA) 4.0 0.8 0.8 volume=0.435 peak=1709 ppm1=1.990 ppm2=4.580 assign ( resid 127 and name HB3) ( resid 126 and name HA) 4.5 0.9 0.9 volume=0.227 peak=2344 ppm1=1.858 ppm2=4.938 assign ( resid 13 and name HG2) ( resid 13 and name HB3) 2.1 0.4 0.4 volume=21.888 peak=2463 ppm1=2.275 ppm2=2.211 assign ( resid 21 and name HG3) ( resid 21 and name HE3) 3.3 0.7 0.7 volume=1.477 peak=506 ppm1=1.203 ppm2=3.015 assign ( resid 24 and name HD3) ( resid 24 and name H) 4.4 0.9 0.9 volume=0.252 peak=541 ppm1=1.667 ppm2=7.606 assign ( resid 60 and name HA) ( resid 59 and name H) 4.2 0.8 0.8 volume=0.332 peak=2005 ppm1=4.920 ppm2=8.484 assign ( resid 58 and name HA2) ( resid 59 and name H) 3.4 0.7 0.7 volume=1.250 peak=1551 ppm1=3.909 ppm2=8.484 assign ( resid 21 and name HB3) ( resid 21 and name HG3) 3.0 0.6 0.6 volume=2.394 peak=3000 ppm1=1.105 ppm2=1.203 assign ( resid 3 and name HA) ( resid 3 and name H) 3.2 0.6 0.6 volume=1.652 peak=185 ppm1=4.345 ppm2=8.403 assign ( resid 53 and name HA) ( resid 52 and name H) 4.5 0.9 0.9 volume=0.208 peak=3071 ppm1=4.392 ppm2=8.645 assign ( resid 110 and name HG2) ( resid 110 and name HA) 3.8 0.8 0.8 volume=0.625 peak=2466 ppm1=2.366 ppm2=3.981 assign ( resid 64 and name HA) ( resid 64 and name H) 4.1 0.8 0.8 volume=0.363 peak=2132 ppm1=4.567 ppm2=8.107 assign ( resid 37 and name HA) ( resid 38 and name HA) 4.8 1.0 1.0 volume=0.145 peak=223 ppm1=4.266 ppm2=4.580 assign ( resid 29 and name HB) ( resid 29 and name H) 4.3 0.9 0.9 volume=0.301 peak=1752 ppm1=3.968 ppm2=8.024 assign ( resid 21 and name HG2) ( resid 21 and name HD2) 3.1 0.6 0.6 volume=2.218 peak=1803 ppm1=1.215 ppm2=1.606 assign ( resid 42 and name HA) ( resid 41 and name HA) 3.6 0.7 0.7 volume=0.785 peak=730 ppm1=4.398 ppm2=4.305 assign ( resid 21 and name HB3) ( resid 21 and name HE3) 4.6 0.9 0.9 volume=0.186 peak=261 ppm1=1.102 ppm2=3.005 assign ( resid 90 and name HA) ( resid 90 and name HB3) 2.9 0.6 0.6 volume=2.833 peak=492 ppm1=4.495 ppm2=2.302 assign ( resid 71 and name HA) ( resid 72 and name HB2) 3.7 0.7 0.7 volume=0.734 peak=3148 ppm1=4.311 ppm2=2.711 assign ( resid 84 and name HB2) ( resid 56 and name HD2*) 4.8 1.0 1.0 volume=0.147 peak=3113 ppm1=3.719 ppm2=-0.102 assign ( resid 3 and name HA) ( resid 3 and name HG3) 3.3 0.7 0.7 volume=1.385 peak=1992 ppm1=4.345 ppm2=2.411 assign ( resid 114 and name HA) ( resid 114 and name HD2) 3.3 0.7 0.7 volume=1.527 peak=1820 ppm1=2.797 ppm2=1.688 assign ( resid 27 and name HD1*) ( resid 27 and name HG) 3.3 0.7 0.7 volume=1.407 peak=1231 ppm1=0.640 ppm2=1.512 assign ( resid 119 and name HG3) ( resid 119 and name H) 3.7 0.7 0.7 volume=0.770 peak=409 ppm1=2.711 ppm2=7.349 assign ( resid 50 and name HB3) ( resid 50 and name HG2) 4.1 0.8 0.8 volume=0.392 peak=1112 ppm1=1.320 ppm2=0.706 assign ( resid 35 and name HB3) ( resid 35 and name HG2) 4.2 0.8 0.8 volume=0.355 peak=2769 ppm1=1.456 ppm2=1.132 assign ( resid 86 and name HB3) ( resid 86 and name HA) 4.4 0.9 0.9 volume=0.247 peak=56 ppm1=2.202 ppm2=3.626 assign ( resid 127 and name HB3) ( resid 128 and name H) 4.3 0.9 0.9 volume=0.310 peak=1610 ppm1=1.858 ppm2=9.118 assign ( resid 119 and name HA) ( resid 119 and name HB2) 3.2 0.6 0.6 volume=1.740 peak=3051 ppm1=4.458 ppm2=2.135 assign ( resid 113 and name HE*) ( resid 116 and name HB3) 3.6 0.7 0.7 volume=0.845 peak=3294 ppm1=2.086 ppm2=1.771 assign ( resid 111 and name HB3) ( resid 112 and name HA) 3.0 0.6 0.6 volume=2.666 peak=3359 ppm1=4.113 ppm2=3.834 assign ( resid 119 and name HG2) ( resid 118 and name HA3) 4.8 1.0 1.0 volume=0.159 peak=243 ppm1=2.561 ppm2=3.932 assign ( resid 90 and name HB2) ( resid 89 and name HA) 4.9 1.0 1.0 volume=0.130 peak=769 ppm1=2.003 ppm2=5.206 assign ( resid 61 and name HA) ( resid 61 and name HB2) 2.8 0.6 0.6 volume=3.499 peak=1352 ppm1=4.382 ppm2=2.708 assign ( resid 76 and name HB) ( resid 76 and name HA) 4.4 0.9 0.9 volume=0.269 peak=1244 ppm1=1.966 ppm2=5.598 assign ( resid 21 and name HE2) ( resid 21 and name HD2) 2.6 0.5 0.5 volume=6.540 peak=3024 ppm1=3.009 ppm2=1.606 assign ( resid 110 and name HA) ( resid 111 and name HB2) 3.6 0.7 0.7 volume=0.801 peak=1867 ppm1=3.981 ppm2=3.887 assign ( resid 113 and name HE*) ( resid 72 and name H) 4.1 0.8 0.8 volume=0.370 peak=2227 ppm1=2.087 ppm2=10.235 assign ( resid 71 and name HA) ( resid 71 and name HB3) 3.1 0.6 0.6 volume=2.075 peak=1934 ppm1=4.311 ppm2=1.761 assign ( resid 41 and name HD3) ( resid 41 and name HA) 4.5 0.9 0.9 volume=0.228 peak=1395 ppm1=3.788 ppm2=4.305 assign ( resid 27 and name HG) ( resid 27 and name HB3) 3.3 0.7 0.7 volume=1.322 peak=1254 ppm1=1.532 ppm2=1.800 assign ( resid 106 and name HG13) ( resid 107 and name H) 5.4 1.1 1.1 volume=0.073 peak=619 ppm1=0.897 ppm2=8.991 assign ( resid 20 and name HB2) ( resid 20 and name H) 4.5 0.9 0.9 volume=0.231 peak=2558 ppm1=2.015 ppm2=8.989 assign ( resid 122 and name HB2) ( resid 122 and name HG3) 3.5 0.7 0.7 volume=1.054 peak=2283 ppm1=1.692 ppm2=1.379 assign ( resid 60 and name HB2) ( resid 60 and name H) 3.8 0.8 0.8 volume=0.660 peak=629 ppm1=3.061 ppm2=9.421 assign ( resid 45 and name HB2) ( resid 45 and name HB3) 4.3 0.9 0.9 volume=0.281 peak=968 ppm1=3.981 ppm2=2.442 assign ( resid 116 and name HG) ( resid 116 and name HB3) 3.8 0.8 0.8 volume=0.568 peak=1070 ppm1=1.144 ppm2=1.769 assign ( resid 21 and name HA) ( resid 21 and name HD3) 4.2 0.8 0.8 volume=0.342 peak=446 ppm1=4.545 ppm2=1.758 assign ( resid 66 and name HB3) ( resid 66 and name HE*) 4.7 0.9 0.9 volume=0.172 peak=1084 ppm1=2.567 ppm2=5.994 assign ( resid 103 and name HB3) ( resid 34 and name HA3) 3.5 0.7 0.7 volume=0.927 peak=3437 ppm1=3.375 ppm2=3.726 assign ( resid 76 and name HB) ( resid 76 and name HD1*) 4.0 0.8 0.8 volume=0.464 peak=511 ppm1=1.966 ppm2=0.149 assign ( resid 50 and name HD3) ( resid 50 and name HE2) 3.0 0.6 0.6 volume=2.637 peak=366 ppm1=1.700 ppm2=3.005 assign ( resid 46 and name HA) ( resid 46 and name HB2) 3.9 0.8 0.8 volume=0.534 peak=3425 ppm1=5.176 ppm2=2.780 assign ( resid 21 and name HD3) ( resid 22 and name H) 4.3 0.9 0.9 volume=0.297 peak=2359 ppm1=1.760 ppm2=8.652 assign ( resid 50 and name HB2) ( resid 117 and name HZ) 4.9 1.0 1.0 volume=0.130 peak=1341 ppm1=1.604 ppm2=7.117 assign ( resid 90 and name HB3) ( resid 90 and name HD3) 4.0 0.8 0.8 volume=0.467 peak=2220 ppm1=2.305 ppm2=3.999 assign ( resid 39 and name HG3) ( resid 39 and name HB3) 2.9 0.6 0.6 volume=3.138 peak=1474 ppm1=1.990 ppm2=1.830 assign ( resid 18 and name HB2) ( resid 19 and name H) 4.5 0.9 0.9 volume=0.236 peak=2552 ppm1=2.672 ppm2=9.157 assign ( resid 13 and name HA) ( resid 12 and name HB3) 4.8 1.0 1.0 volume=0.159 peak=1782 ppm1=4.000 ppm2=0.958 assign ( resid 5 and name HB2) ( resid 6 and name HB) 3.3 0.7 0.7 volume=1.498 peak=2709 ppm1=2.694 ppm2=4.198 assign ( resid 11 and name HA) ( resid 11 and name H) 4.1 0.8 0.8 volume=0.360 peak=1036 ppm1=4.264 ppm2=8.608 assign ( resid 3 and name HB2) ( resid 3 and name HA) 3.7 0.7 0.7 volume=0.752 peak=701 ppm1=1.724 ppm2=4.334 assign ( resid 106 and name HG13) ( resid 106 and name H) 4.4 0.9 0.9 volume=0.249 peak=1977 ppm1=0.900 ppm2=8.713 assign ( resid 91 and name HB2) ( resid 91 and name HA) 3.5 0.7 0.7 volume=0.975 peak=2770 ppm1=1.649 ppm2=4.540 assign ( resid 17 and name HB2) ( resid 17 and name HG2) 4.4 0.9 0.9 volume=0.256 peak=1628 ppm1=1.654 ppm2=2.262 assign ( resid 115 and name HB3) ( resid 115 and name HG2) 3.2 0.6 0.6 volume=1.875 peak=1052 ppm1=2.007 ppm2=2.346 assign ( resid 110 and name HG3) ( resid 110 and name HD3) 3.8 0.8 0.8 volume=0.650 peak=1685 ppm1=1.814 ppm2=3.832 assign ( resid 74 and name HA) ( resid 75 and name HB3) 4.2 0.8 0.8 volume=0.349 peak=3335 ppm1=4.914 ppm2=1.669 assign ( resid 79 and name HB) ( resid 80 and name HA2) 3.2 0.6 0.6 volume=1.764 peak=1267 ppm1=4.458 ppm2=4.669 assign ( resid 106 and name HG13) ( resid 106 and name HG2*) 3.0 0.6 0.6 volume=2.614 peak=2050 ppm1=0.897 ppm2=0.660 assign ( resid 76 and name HD1*) ( resid 76 and name HB) 3.4 0.7 0.7 volume=1.193 peak=3405 ppm1=0.149 ppm2=1.966 assign ( resid 70 and name HA) ( resid 71 and name HB3) 4.1 0.8 0.8 volume=0.376 peak=457 ppm1=4.726 ppm2=1.761 assign ( resid 120 and name HB) ( resid 120 and name HG1*) 3.3 0.7 0.7 volume=1.325 peak=2428 ppm1=1.452 ppm2=0.181 assign ( resid 12 and name HA) ( resid 13 and name HB3) 4.6 0.9 0.9 volume=0.194 peak=1008 ppm1=3.700 ppm2=2.211 assign ( resid 100 and name HB2) ( resid 100 and name HD2) 3.9 0.8 0.8 volume=0.548 peak=2042 ppm1=2.296 ppm2=3.217 assign ( resid 119 and name HG3) ( resid 119 and name HA) 3.6 0.7 0.7 volume=0.847 peak=3521 ppm1=2.713 ppm2=4.456 assign ( resid 6 and name HA) ( resid 6 and name HG2*) 3.3 0.7 0.7 volume=1.367 peak=179 ppm1=5.225 ppm2=1.592 assign ( resid 81 and name HG2*) ( resid 81 and name HB) 2.9 0.6 0.6 volume=3.045 peak=2799 ppm1=0.659 ppm2=1.760 assign ( resid 128 and name HG1*) ( resid 129 and name H) 3.9 0.8 0.8 volume=0.522 peak=1612 ppm1=0.811 ppm2=8.830 assign ( resid 109 and name HB2) ( resid 109 and name HA) 3.9 0.8 0.8 volume=0.536 peak=2437 ppm1=2.015 ppm2=4.442 assign ( resid 112 and name HB) ( resid 112 and name H) 3.6 0.7 0.7 volume=0.797 peak=2393 ppm1=1.759 ppm2=6.712 assign ( resid 114 and name HD2) ( resid 114 and name H) 4.1 0.8 0.8 volume=0.391 peak=2362 ppm1=1.688 ppm2=7.511 assign ( resid 69 and name HG2) ( resid 68 and name HA) 3.5 0.7 0.7 volume=0.955 peak=2320 ppm1=1.893 ppm2=4.917 assign ( resid 12 and name HD2*) ( resid 12 and name HG) 3.2 0.6 0.6 volume=1.665 peak=1879 ppm1=0.410 ppm2=1.470 assign ( resid 65 and name HG3) ( resid 65 and name HB2) 2.7 0.5 0.5 volume=4.893 peak=1132 ppm1=2.019 ppm2=1.863 assign ( resid 44 and name HB) ( resid 44 and name HG2*) 3.1 0.6 0.6 volume=2.236 peak=300 ppm1=1.779 ppm2=0.895 assign ( resid 49 and name HB2) ( resid 49 and name HA) 3.7 0.7 0.7 volume=0.667 peak=461 ppm1=2.613 ppm2=4.640 assign ( resid 69 and name HG2) ( resid 69 and name HD3) 3.2 0.6 0.6 volume=1.793 peak=194 ppm1=1.893 ppm2=3.590 assign ( resid 57 and name HG3) ( resid 57 and name HE3) 3.4 0.7 0.7 volume=1.161 peak=1416 ppm1=1.153 ppm2=2.783 assign ( resid 99 and name HA) ( resid 100 and name H) 4.1 0.8 0.8 volume=0.398 peak=1376 ppm1=4.482 ppm2=8.891 assign ( resid 29 and name HA) ( resid 29 and name HB) 3.3 0.7 0.7 volume=1.372 peak=3357 ppm1=4.344 ppm2=3.968 assign ( resid 31 and name HB) ( resid 31 and name HG2*) 3.3 0.7 0.7 volume=1.461 peak=3242 ppm1=1.871 ppm2=0.609 assign ( resid 13 and name HA) ( resid 14 and name H) 4.1 0.8 0.8 volume=0.360 peak=324 ppm1=3.998 ppm2=7.716 assign ( resid 76 and name HA) ( resid 76 and name H) 4.7 0.9 0.9 volume=0.181 peak=2334 ppm1=5.598 ppm2=8.186 assign ( resid 56 and name HD1*) ( resid 73 and name HE1) 4.5 0.9 0.9 volume=0.228 peak=1189 ppm1=-0.689 ppm2=10.105 assign ( resid 94 and name HA2) ( resid 93 and name HA2) 4.5 0.9 0.9 volume=0.229 peak=1370 ppm1=3.864 ppm2=4.398 assign ( resid 75 and name HD3) ( resid 75 and name HG2) 4.4 0.9 0.9 volume=0.244 peak=1239 ppm1=1.007 ppm2=0.237 assign ( resid 18 and name HB3) ( resid 18 and name HE3) 4.9 1.0 1.0 volume=0.130 peak=1158 ppm1=3.300 ppm2=7.913 assign ( resid 41 and name HG2) ( resid 41 and name HD3) 3.5 0.7 0.7 volume=0.956 peak=3175 ppm1=2.024 ppm2=3.788 assign ( resid 36 and name HG2) ( resid 36 and name HD3) 4.0 0.8 0.8 volume=0.456 peak=1151 ppm1=1.838 ppm2=3.712 assign ( resid 106 and name HA) ( resid 106 and name HG2*) 3.2 0.6 0.6 volume=1.600 peak=683 ppm1=3.809 ppm2=0.660 assign ( resid 62 and name HA) ( resid 62 and name H) 3.8 0.8 0.8 volume=0.642 peak=235 ppm1=4.531 ppm2=7.730 assign ( resid 122 and name HA) ( resid 123 and name HA3) 4.6 0.9 0.9 volume=0.196 peak=1324 ppm1=3.687 ppm2=3.340 assign ( resid 91 and name HB2) ( resid 91 and name HB3) 2.8 0.6 0.6 volume=4.081 peak=63 ppm1=1.649 ppm2=1.963 assign ( resid 112 and name HB) ( resid 113 and name H) 3.7 0.7 0.7 volume=0.742 peak=1100 ppm1=1.759 ppm2=8.602 assign ( resid 95 and name HB2) ( resid 98 and name HB3) 4.6 0.9 0.9 volume=0.201 peak=1456 ppm1=2.600 ppm2=1.428 assign ( resid 59 and name HG2*) ( resid 59 and name HA) 2.8 0.6 0.6 volume=4.004 peak=921 ppm1=1.138 ppm2=4.803 assign ( resid 9 and name HB3) ( resid 9 and name H) 4.1 0.8 0.8 volume=0.378 peak=547 ppm1=2.573 ppm2=9.759 assign ( resid 98 and name HA) ( resid 98 and name HB2) 3.5 0.7 0.7 volume=1.013 peak=2589 ppm1=3.084 ppm2=1.408 assign ( resid 10 and name HA) ( resid 10 and name HB) 4.7 0.9 0.9 volume=0.175 peak=225 ppm1=4.532 ppm2=2.152 assign ( resid 8 and name HA) ( resid 8 and name HD1*) 3.8 0.8 0.8 volume=0.614 peak=1588 ppm1=5.316 ppm2=0.631 assign ( resid 88 and name HA) ( resid 88 and name HB2) 3.1 0.6 0.6 volume=1.936 peak=3230 ppm1=4.658 ppm2=3.461 assign ( resid 26 and name HB*) ( resid 21 and name H) 3.6 0.7 0.7 volume=0.918 peak=2384 ppm1=1.258 ppm2=8.465 assign ( resid 107 and name HB2) ( resid 106 and name HA) 5.0 1.0 1.0 volume=0.117 peak=2851 ppm1=3.438 ppm2=3.809 assign ( resid 128 and name HG1*) ( resid 128 and name HA) 3.1 0.6 0.6 volume=2.116 peak=1181 ppm1=0.811 ppm2=5.050 assign ( resid 7 and name HA) ( resid 7 and name HB2) 4.1 0.8 0.8 volume=0.383 peak=2920 ppm1=5.097 ppm2=3.523 assign ( resid 64 and name HB) ( resid 65 and name HD2) 3.5 0.7 0.7 volume=1.022 peak=187 ppm1=4.338 ppm2=3.903 assign ( resid 56 and name HA) ( resid 57 and name HB3) 4.6 0.9 0.9 volume=0.191 peak=2515 ppm1=4.017 ppm2=1.663 assign ( resid 83 and name HA) ( resid 83 and name HD1*) 3.2 0.6 0.6 volume=1.740 peak=2623 ppm1=4.647 ppm2=0.656 assign ( resid 41 and name HB2) ( resid 42 and name H) 4.2 0.8 0.8 volume=0.331 peak=90 ppm1=2.038 ppm2=7.586 assign ( resid 74 and name HB3) ( resid 74 and name HA) 4.0 0.8 0.8 volume=0.451 peak=287 ppm1=2.046 ppm2=4.914 assign ( resid 12 and name HD2*) ( resid 12 and name HB3) 3.2 0.6 0.6 volume=1.733 peak=2064 ppm1=0.409 ppm2=0.958 assign ( resid 115 and name HA) ( resid 115 and name HB2) 2.8 0.6 0.6 volume=3.556 peak=2961 ppm1=3.952 ppm2=2.015 assign ( resid 114 and name HG3) ( resid 114 and name HD2) 3.0 0.6 0.6 volume=2.477 peak=2085 ppm1=1.319 ppm2=1.688 assign ( resid 71 and name HA) ( resid 72 and name H) 4.3 0.9 0.9 volume=0.279 peak=1850 ppm1=4.315 ppm2=10.234 assign ( resid 70 and name HA) ( resid 71 and name HA) 4.1 0.8 0.8 volume=0.376 peak=204 ppm1=4.726 ppm2=4.311 assign ( resid 114 and name HG2) ( resid 114 and name HE2) 3.6 0.7 0.7 volume=0.822 peak=226 ppm1=1.135 ppm2=3.008 assign ( resid 100 and name HD2) ( resid 100 and name HD3) 2.7 0.5 0.5 volume=4.722 peak=2454 ppm1=3.226 ppm2=3.106 assign ( resid 24 and name HB2) ( resid 24 and name HG3) 2.9 0.6 0.6 volume=3.095 peak=3373 ppm1=1.686 ppm2=1.394 assign ( resid 60 and name HB2) ( resid 60 and name HD22) 3.8 0.8 0.8 volume=0.587 peak=2331 ppm1=3.061 ppm2=7.593 assign ( resid 75 and name HB2) ( resid 75 and name HA) 4.7 0.9 0.9 volume=0.171 peak=307 ppm1=1.570 ppm2=3.419 assign ( resid 124 and name HG2*) ( resid 121 and name H) 4.8 1.0 1.0 volume=0.146 peak=2874 ppm1=1.568 ppm2=8.105 assign ( resid 65 and name HD2) ( resid 64 and name HA) 3.3 0.7 0.7 volume=1.436 peak=2580 ppm1=3.894 ppm2=4.567 assign ( resid 53 and name HB2) ( resid 54 and name HA) 4.2 0.8 0.8 volume=0.322 peak=1072 ppm1=2.765 ppm2=4.499 assign ( resid 101 and name HA3) ( resid 101 and name H) 4.3 0.9 0.9 volume=0.291 peak=347 ppm1=4.237 ppm2=7.182 assign ( resid 98 and name HD3) ( resid 98 and name HB2) 3.1 0.6 0.6 volume=2.028 peak=817 ppm1=1.268 ppm2=1.408 assign ( resid 42 and name HB*) ( resid 42 and name HA) 2.8 0.6 0.6 volume=3.481 peak=3036 ppm1=1.421 ppm2=4.398 assign ( resid 31 and name HG13) ( resid 31 and name H) 4.1 0.8 0.8 volume=0.361 peak=3058 ppm1=0.493 ppm2=7.636 assign ( resid 109 and name HB3) ( resid 112 and name H) 4.3 0.9 0.9 volume=0.277 peak=1544 ppm1=1.354 ppm2=6.712 assign ( resid 122 and name HE2) ( resid 122 and name HD2) 3.1 0.6 0.6 volume=2.225 peak=1802 ppm1=3.048 ppm2=1.824 assign ( resid 112 and name HB) ( resid 112 and name HA) 3.7 0.7 0.7 volume=0.705 peak=257 ppm1=1.759 ppm2=3.834 assign ( resid 78 and name HB3) ( resid 78 and name HA) 3.9 0.8 0.8 volume=0.541 peak=1155 ppm1=3.505 ppm2=5.161 assign ( resid 36 and name HA) ( resid 36 and name HG2) 3.6 0.7 0.7 volume=0.859 peak=568 ppm1=4.377 ppm2=1.833 assign ( resid 15 and name HB2) ( resid 16 and name H) 4.5 0.9 0.9 volume=0.211 peak=413 ppm1=2.243 ppm2=8.061 assign ( resid 109 and name HA) ( resid 109 and name HB2) 4.0 0.8 0.8 volume=0.464 peak=3216 ppm1=4.442 ppm2=2.015 assign ( resid 116 and name HD1*) ( resid 116 and name HA) 3.1 0.6 0.6 volume=1.954 peak=2828 ppm1=0.381 ppm2=3.579 assign ( resid 67 and name HG3) ( resid 67 and name HA) 3.7 0.7 0.7 volume=0.700 peak=2887 ppm1=1.988 ppm2=4.955 assign ( resid 58 and name HA2) ( resid 59 and name HB) 2.8 0.6 0.6 volume=3.943 peak=1894 ppm1=3.909 ppm2=3.867 assign ( resid 51 and name HA) ( resid 51 and name HG3) 3.1 0.6 0.6 volume=2.280 peak=1900 ppm1=4.937 ppm2=2.236 assign ( resid 39 and name HA) ( resid 39 and name HD2) 4.3 0.9 0.9 volume=0.306 peak=1310 ppm1=4.184 ppm2=3.430 assign ( resid 63 and name HA2) ( resid 62 and name HB3) 4.7 0.9 0.9 volume=0.163 peak=496 ppm1=3.616 ppm2=2.626 assign ( resid 114 and name HE3) ( resid 114 and name HD2) 2.4 0.5 0.5 volume=9.690 peak=527 ppm1=3.014 ppm2=1.701 assign ( resid 21 and name HD3) ( resid 21 and name HG3) 3.1 0.6 0.6 volume=1.941 peak=1786 ppm1=1.758 ppm2=1.203 assign ( resid 41 and name HG3) ( resid 41 and name HA) 3.9 0.8 0.8 volume=0.541 peak=1561 ppm1=1.974 ppm2=4.308 assign ( resid 39 and name HB2) ( resid 39 and name HG3) 2.6 0.5 0.5 volume=5.745 peak=3116 ppm1=2.027 ppm2=1.990 assign ( resid 40 and name HA) ( resid 40 and name HB) 3.4 0.7 0.7 volume=1.169 peak=237 ppm1=4.466 ppm2=3.703 assign ( resid 114 and name HA) ( resid 113 and name HB2) 4.2 0.8 0.8 volume=0.358 peak=3526 ppm1=2.796 ppm2=2.175 assign ( resid 72 and name HA) ( resid 72 and name HE*) 4.6 0.9 0.9 volume=0.195 peak=2204 ppm1=4.485 ppm2=6.497 assign ( resid 17 and name HB3) ( resid 17 and name H) 4.6 0.9 0.9 volume=0.198 peak=41 ppm1=1.477 ppm2=8.253 assign ( resid 8 and name HG2*) ( resid 19 and name HD*) 4.6 0.9 0.9 volume=0.206 peak=3241 ppm1=0.882 ppm2=6.864 assign ( resid 5 and name HB3) ( resid 5 and name HA) 3.1 0.6 0.6 volume=2.096 peak=3275 ppm1=2.684 ppm2=4.677 assign ( resid 122 and name HB3) ( resid 122 and name HE2) 3.9 0.8 0.8 volume=0.508 peak=2 ppm1=1.698 ppm2=3.049 assign ( resid 103 and name HB3) ( resid 103 and name H) 4.7 0.9 0.9 volume=0.182 peak=2710 ppm1=3.375 ppm2=8.942 assign ( resid 57 and name HB2) ( resid 58 and name H) 4.1 0.8 0.8 volume=0.415 peak=1393 ppm1=1.457 ppm2=6.615 assign ( resid 55 and name HA) ( resid 55 and name HB) 3.9 0.8 0.8 volume=0.550 peak=3248 ppm1=4.349 ppm2=3.730 assign ( resid 121 and name HB2) ( resid 121 and name HG2) 3.4 0.7 0.7 volume=1.176 peak=504 ppm1=1.737 ppm2=2.400 assign ( resid 25 and name HB) ( resid 26 and name HA) 4.1 0.8 0.8 volume=0.393 peak=3312 ppm1=1.920 ppm2=4.427 assign ( resid 52 and name HA) ( resid 52 and name H) 3.5 0.7 0.7 volume=1.044 peak=2037 ppm1=4.933 ppm2=8.645 assign ( resid 65 and name HG3) ( resid 65 and name HD2) 3.1 0.6 0.6 volume=2.167 peak=454 ppm1=2.019 ppm2=3.894 assign ( resid 39 and name HD2) ( resid 38 and name HA) 3.5 0.7 0.7 volume=1.043 peak=12 ppm1=3.424 ppm2=4.580 assign ( resid 90 and name HA) ( resid 90 and name HD2) 4.1 0.8 0.8 volume=0.377 peak=2163 ppm1=4.493 ppm2=4.110 assign ( resid 92 and name HA) ( resid 91 and name HA) 3.2 0.6 0.6 volume=1.663 peak=1586 ppm1=4.437 ppm2=4.544 assign ( resid 6 and name HA) ( resid 5 and name H) 4.8 1.0 1.0 volume=0.159 peak=660 ppm1=5.223 ppm2=8.429 assign ( resid 65 and name HB2) ( resid 65 and name HD2) 3.9 0.8 0.8 volume=0.510 peak=1417 ppm1=1.861 ppm2=3.904 assign ( resid 124 and name HG2*) ( resid 124 and name HA) 3.1 0.6 0.6 volume=2.094 peak=1133 ppm1=1.565 ppm2=4.468 assign ( resid 98 and name HG3) ( resid 98 and name HD2) 4.2 0.8 0.8 volume=0.351 peak=2381 ppm1=-0.333 ppm2=1.258 assign ( resid 77 and name HA) ( resid 78 and name H) 4.2 0.8 0.8 volume=0.312 peak=779 ppm1=4.686 ppm2=8.552 assign ( resid 99 and name HB) ( resid 99 and name HA) 3.1 0.6 0.6 volume=2.077 peak=3391 ppm1=4.162 ppm2=4.467 assign ( resid 113 and name HB3) ( resid 113 and name HG2) 3.9 0.8 0.8 volume=0.493 peak=1293 ppm1=1.376 ppm2=2.142 assign ( resid 39 and name HD3) ( resid 39 and name HB3) 3.4 0.7 0.7 volume=1.146 peak=2266 ppm1=3.399 ppm2=1.830 assign ( resid 93 and name HA2) ( resid 92 and name HA) 3.5 0.7 0.7 volume=1.006 peak=2931 ppm1=4.398 ppm2=4.437 assign ( resid 71 and name HB2) ( resid 70 and name HA) 4.2 0.8 0.8 volume=0.314 peak=2830 ppm1=2.436 ppm2=4.726 assign ( resid 43 and name HA2) ( resid 42 and name HA) 3.3 0.7 0.7 volume=1.441 peak=2680 ppm1=3.627 ppm2=4.398 assign ( resid 98 and name HD3) ( resid 98 and name HG3) 3.6 0.7 0.7 volume=0.908 peak=1200 ppm1=1.268 ppm2=-0.331 assign ( resid 70 and name HB) ( resid 70 and name H) 4.9 1.0 1.0 volume=0.137 peak=2755 ppm1=2.688 ppm2=8.625 assign ( resid 24 and name HB3) ( resid 24 and name HE3) 4.8 1.0 1.0 volume=0.144 peak=674 ppm1=1.770 ppm2=2.992 assign ( resid 111 and name HA) ( resid 111 and name H) 3.9 0.8 0.8 volume=0.509 peak=386 ppm1=3.889 ppm2=8.925 assign ( resid 41 and name HA) ( resid 42 and name HA) 3.2 0.6 0.6 volume=1.877 peak=1134 ppm1=4.305 ppm2=4.398 assign ( resid 36 and name HA) ( resid 37 and name H) 4.3 0.9 0.9 volume=0.273 peak=1138 ppm1=4.376 ppm2=7.299 assign ( resid 57 and name HA) ( resid 57 and name HG2) 3.4 0.7 0.7 volume=1.272 peak=453 ppm1=4.621 ppm2=1.133 assign ( resid 119 and name HB2) ( resid 119 and name HA) 3.5 0.7 0.7 volume=0.968 peak=1285 ppm1=2.136 ppm2=4.456 assign ( resid 113 and name HB3) ( resid 113 and name H) 4.4 0.9 0.9 volume=0.251 peak=1077 ppm1=1.381 ppm2=8.596 assign ( resid 100 and name HD3) ( resid 100 and name HG3) 3.3 0.7 0.7 volume=1.410 peak=2167 ppm1=3.106 ppm2=1.640 assign ( resid 35 and name HB3) ( resid 36 and name HD3) 4.2 0.8 0.8 volume=0.354 peak=43 ppm1=1.453 ppm2=3.721 assign ( resid 39 and name HB3) ( resid 39 and name HG3) 2.9 0.6 0.6 volume=2.828 peak=2629 ppm1=1.830 ppm2=1.990 assign ( resid 35 and name HB2) ( resid 35 and name HE3) 4.9 1.0 1.0 volume=0.127 peak=3166 ppm1=2.161 ppm2=2.836 assign ( resid 45 and name HB3) ( resid 45 and name HD*) 4.1 0.8 0.8 volume=0.391 peak=3328 ppm1=2.431 ppm2=7.135 assign ( resid 114 and name HE2) ( resid 114 and name HD3) 2.5 0.5 0.5 volume=7.332 peak=1209 ppm1=2.987 ppm2=1.712 assign ( resid 61 and name HB3) ( resid 61 and name HA) 3.0 0.6 0.6 volume=2.631 peak=1835 ppm1=2.715 ppm2=4.379 assign ( resid 35 and name HG3) ( resid 35 and name HB2) 4.5 0.9 0.9 volume=0.231 peak=1912 ppm1=1.601 ppm2=2.158 assign ( resid 94 and name HA3) ( resid 93 and name HA3) 4.8 1.0 1.0 volume=0.150 peak=2268 ppm1=3.978 ppm2=4.497 assign ( resid 56 and name HD2*) ( resid 56 and name HB3) 3.4 0.7 0.7 volume=1.299 peak=166 ppm1=-0.093 ppm2=1.154 assign ( resid 125 and name HB3) ( resid 125 and name HD3) 3.8 0.8 0.8 volume=0.588 peak=1014 ppm1=1.935 ppm2=4.314 assign ( resid 57 and name HE2) ( resid 57 and name HD3) 2.6 0.5 0.5 volume=5.688 peak=458 ppm1=2.776 ppm2=1.518 assign ( resid 85 and name HB3) ( resid 86 and name H) 4.5 0.9 0.9 volume=0.207 peak=3213 ppm1=2.372 ppm2=8.083 assign ( resid 85 and name HB3) ( resid 85 and name H) 4.4 0.9 0.9 volume=0.261 peak=3268 ppm1=2.372 ppm2=10.381 assign ( resid 80 and name HA3) ( resid 79 and name H) 4.1 0.8 0.8 volume=0.395 peak=311 ppm1=3.840 ppm2=8.513 assign ( resid 103 and name HB2) ( resid 103 and name HA) 4.1 0.8 0.8 volume=0.368 peak=408 ppm1=3.684 ppm2=5.093 assign ( resid 40 and name HA) ( resid 39 and name HB2) 3.9 0.8 0.8 volume=0.553 peak=3330 ppm1=4.469 ppm2=2.019 assign ( resid 126 and name HG2*) ( resid 126 and name HA) 3.3 0.7 0.7 volume=1.509 peak=3360 ppm1=0.688 ppm2=4.945 assign ( resid 119 and name HG3) ( resid 119 and name HE*) 3.2 0.6 0.6 volume=1.606 peak=2987 ppm1=2.711 ppm2=2.076 assign ( resid 98 and name HB3) ( resid 98 and name HD2) 3.6 0.7 0.7 volume=0.803 peak=2006 ppm1=1.436 ppm2=1.242 assign ( resid 20 and name HA) ( resid 20 and name HB2) 3.2 0.6 0.6 volume=1.808 peak=2861 ppm1=4.450 ppm2=2.016 assign ( resid 120 and name HA) ( resid 119 and name HA) 4.4 0.9 0.9 volume=0.259 peak=2286 ppm1=3.658 ppm2=4.458 assign ( resid 17 and name HB3) ( resid 17 and name HE*) 3.6 0.7 0.7 volume=0.911 peak=692 ppm1=1.477 ppm2=1.481 assign ( resid 35 and name HE2) ( resid 35 and name HG3) 3.3 0.7 0.7 volume=1.478 peak=2878 ppm1=2.899 ppm2=1.613 assign ( resid 21 and name HB2) ( resid 21 and name H) 3.9 0.8 0.8 volume=0.489 peak=246 ppm1=1.525 ppm2=8.467 assign ( resid 101 and name HA3) ( resid 102 and name HB3) 3.6 0.7 0.7 volume=0.870 peak=3079 ppm1=4.237 ppm2=3.773 assign ( resid 114 and name HE3) ( resid 114 and name HA) 3.4 0.7 0.7 volume=1.134 peak=702 ppm1=3.015 ppm2=2.797 assign ( resid 129 and name HB2) ( resid 129 and name HB3) 3.2 0.6 0.6 volume=1.870 peak=3524 ppm1=2.986 ppm2=3.197 assign ( resid 119 and name HB3) ( resid 120 and name H) 3.6 0.7 0.7 volume=0.857 peak=1114 ppm1=1.987 ppm2=7.304 assign ( resid 110 and name HB2) ( resid 110 and name HG2) 3.6 0.7 0.7 volume=0.829 peak=832 ppm1=2.128 ppm2=2.378 assign ( resid 39 and name HG2) ( resid 39 and name HA) 4.2 0.8 0.8 volume=0.324 peak=1519 ppm1=1.831 ppm2=4.183 assign ( resid 67 and name HB3) ( resid 68 and name H) 3.8 0.8 0.8 volume=0.654 peak=1276 ppm1=1.665 ppm2=9.238 assign ( resid 100 and name HD3) ( resid 100 and name HB3) 3.8 0.8 0.8 volume=0.613 peak=852 ppm1=3.106 ppm2=1.487 assign ( resid 92 and name HB2) ( resid 92 and name HB3) 4.1 0.8 0.8 volume=0.392 peak=2212 ppm1=2.563 ppm2=2.325 assign ( resid 95 and name HB2) ( resid 95 and name H) 4.4 0.9 0.9 volume=0.244 peak=134 ppm1=2.602 ppm2=8.529 assign ( resid 106 and name HB) ( resid 106 and name HG2*) 3.2 0.6 0.6 volume=1.801 peak=1326 ppm1=1.723 ppm2=0.647 assign ( resid 65 and name HB2) ( resid 65 and name HD3) 3.9 0.8 0.8 volume=0.494 peak=161 ppm1=1.863 ppm2=3.716 assign ( resid 69 and name HD2) ( resid 69 and name HG2) 3.3 0.7 0.7 volume=1.436 peak=2299 ppm1=3.745 ppm2=1.872 assign ( resid 76 and name HG13) ( resid 76 and name HG2*) 3.6 0.7 0.7 volume=0.795 peak=1591 ppm1=0.925 ppm2=0.604 assign ( resid 10 and name HA) ( resid 11 and name H) 3.6 0.7 0.7 volume=0.853 peak=2806 ppm1=4.530 ppm2=8.608 assign ( resid 21 and name HB2) ( resid 21 and name HB3) 3.0 0.6 0.6 volume=2.463 peak=478 ppm1=1.518 ppm2=1.110 assign ( resid 57 and name HB3) ( resid 56 and name HA) 5.2 1.0 1.0 volume=0.092 peak=2676 ppm1=1.664 ppm2=4.023 assign ( resid 109 and name HD2) ( resid 109 and name HG3) 4.2 0.8 0.8 volume=0.338 peak=864 ppm1=2.950 ppm2=1.385 assign ( resid 119 and name HG3) ( resid 119 and name HG2) 2.8 0.6 0.6 volume=3.591 peak=3473 ppm1=2.712 ppm2=2.556 assign ( resid 123 and name HA2) ( resid 122 and name HA) 4.3 0.9 0.9 volume=0.306 peak=1929 ppm1=4.329 ppm2=3.688 assign ( resid 13 and name HG3) ( resid 13 and name H) 3.6 0.7 0.7 volume=0.779 peak=1541 ppm1=2.354 ppm2=9.097 assign ( resid 124 and name HG2*) ( resid 125 and name HG3) 4.5 0.9 0.9 volume=0.212 peak=3305 ppm1=1.570 ppm2=2.162 assign ( resid 96 and name HG) ( resid 95 and name H) 4.2 0.8 0.8 volume=0.313 peak=1787 ppm1=1.728 ppm2=8.533 assign ( resid 81 and name HG1*) ( resid 81 and name HB) 2.9 0.6 0.6 volume=2.953 peak=1631 ppm1=0.781 ppm2=1.760 assign ( resid 114 and name HE3) ( resid 114 and name HB2) 2.4 0.5 0.5 volume=8.960 peak=339 ppm1=3.015 ppm2=1.744 assign ( resid 31 and name HG2*) ( resid 32 and name H) 3.5 0.7 0.7 volume=0.969 peak=3160 ppm1=0.612 ppm2=8.248 assign ( resid 67 and name HA) ( resid 66 and name H) 4.2 0.8 0.8 volume=0.339 peak=1848 ppm1=4.972 ppm2=8.098 assign ( resid 83 and name HD1*) ( resid 83 and name HG13) 2.0 0.3 0.4 volume=26.698 peak=2325 ppm1=0.656 ppm2=0.703 assign ( resid 21 and name HD3) ( resid 21 and name HE3) 3.2 0.6 0.6 volume=1.827 peak=770 ppm1=1.758 ppm2=3.015 assign ( resid 98 and name HD2) ( resid 98 and name HG3) 3.6 0.7 0.7 volume=0.847 peak=1960 ppm1=1.242 ppm2=-0.331 assign ( resid 113 and name HA) ( resid 114 and name HA) 4.5 0.9 0.9 volume=0.211 peak=2144 ppm1=4.093 ppm2=2.797 assign ( resid 7 and name HA) ( resid 7 and name H) 4.5 0.9 0.9 volume=0.220 peak=3496 ppm1=5.097 ppm2=8.660 assign ( resid 12 and name HD1*) ( resid 12 and name HA) 3.6 0.7 0.7 volume=0.819 peak=3443 ppm1=0.565 ppm2=3.712 assign ( resid 89 and name HA) ( resid 88 and name H) 4.3 0.9 0.9 volume=0.295 peak=1512 ppm1=5.206 ppm2=7.019 assign ( resid 45 and name HA) ( resid 46 and name HB3) 3.9 0.8 0.8 volume=0.524 peak=2431 ppm1=5.057 ppm2=2.430 assign ( resid 75 and name HB3) ( resid 76 and name H) 4.1 0.8 0.8 volume=0.373 peak=1741 ppm1=1.669 ppm2=8.186 assign ( resid 76 and name HD1*) ( resid 76 and name HG12) 3.5 0.7 0.7 volume=1.030 peak=624 ppm1=0.149 ppm2=1.928 assign ( resid 105 and name HA) ( resid 105 and name HB3) 3.9 0.8 0.8 volume=0.492 peak=1042 ppm1=4.695 ppm2=3.495 assign ( resid 89 and name HB2) ( resid 90 and name HD3) 4.7 0.9 0.9 volume=0.179 peak=556 ppm1=1.170 ppm2=3.999 assign ( resid 87 and name HA) ( resid 87 and name HB2) 3.3 0.7 0.7 volume=1.432 peak=2030 ppm1=4.208 ppm2=2.947 assign ( resid 91 and name HA) ( resid 90 and name HB2) 3.4 0.7 0.7 volume=1.165 peak=3385 ppm1=4.544 ppm2=2.003 assign ( resid 99 and name HA) ( resid 100 and name HB3) 4.5 0.9 0.9 volume=0.208 peak=2899 ppm1=4.482 ppm2=1.487 assign ( resid 127 and name HD2*) ( resid 127 and name HB3) 2.8 0.6 0.6 volume=4.012 peak=704 ppm1=0.848 ppm2=1.837 assign ( resid 46 and name HB3) ( resid 46 and name H) 4.9 1.0 1.0 volume=0.129 peak=1645 ppm1=2.430 ppm2=7.920 assign ( resid 71 and name HB3) ( resid 72 and name H) 4.0 0.8 0.8 volume=0.463 peak=1693 ppm1=1.765 ppm2=10.233 assign ( resid 125 and name HG3) ( resid 125 and name HD2) 3.7 0.7 0.7 volume=0.668 peak=1744 ppm1=2.164 ppm2=4.478 assign ( resid 35 and name HD3) ( resid 35 and name HG2) 3.6 0.7 0.7 volume=0.887 peak=529 ppm1=1.345 ppm2=1.145 assign ( resid 109 and name HB3) ( resid 110 and name HD2) 4.3 0.9 0.9 volume=0.279 peak=1196 ppm1=1.330 ppm2=3.926 assign ( resid 90 and name HB2) ( resid 91 and name H) 4.3 0.9 0.9 volume=0.310 peak=2478 ppm1=2.003 ppm2=7.019 assign ( resid 121 and name HB3) ( resid 120 and name HG2*) 4.3 0.9 0.9 volume=0.286 peak=970 ppm1=2.079 ppm2=0.583 assign ( resid 8 and name HD1*) ( resid 116 and name HD1*) 3.1 0.6 0.6 volume=2.096 peak=3374 ppm1=0.632 ppm2=0.390 assign ( resid 31 and name HG2*) ( resid 108 and name HA) 3.6 0.7 0.7 volume=0.778 peak=2934 ppm1=0.610 ppm2=4.418 assign ( resid 15 and name HB2) ( resid 15 and name HA) 5.1 1.0 1.0 volume=0.103 peak=208 ppm1=2.243 ppm2=3.383 assign ( resid 11 and name HA) ( resid 12 and name H) 3.5 0.7 0.7 volume=1.065 peak=962 ppm1=4.262 ppm2=9.564 assign ( resid 36 and name HB2) ( resid 36 and name HD3) 4.5 0.9 0.9 volume=0.227 peak=1550 ppm1=2.517 ppm2=3.723 assign ( resid 108 and name HA) ( resid 108 and name H) 4.6 0.9 0.9 volume=0.186 peak=3137 ppm1=4.417 ppm2=8.195 assign ( resid 67 and name HG2) ( resid 68 and name H) 4.4 0.9 0.9 volume=0.238 peak=2504 ppm1=1.906 ppm2=9.247 assign ( resid 94 and name HA3) ( resid 93 and name H) 4.6 0.9 0.9 volume=0.186 peak=3315 ppm1=3.978 ppm2=7.990 assign ( resid 4 and name HA) ( resid 3 and name HB3) 3.3 0.7 0.7 volume=1.365 peak=3346 ppm1=4.306 ppm2=1.911 assign ( resid 118 and name HA3) ( resid 117 and name HA) 3.1 0.6 0.6 volume=1.941 peak=1757 ppm1=3.932 ppm2=3.784 assign ( resid 64 and name HG2*) ( resid 64 and name HA) 3.0 0.6 0.6 volume=2.538 peak=1229 ppm1=1.263 ppm2=4.581 assign ( resid 35 and name HB2) ( resid 35 and name H) 4.8 1.0 1.0 volume=0.151 peak=601 ppm1=2.161 ppm2=8.334 assign ( resid 103 and name HA) ( resid 34 and name HA3) 3.7 0.7 0.7 volume=0.678 peak=607 ppm1=5.108 ppm2=3.726 assign ( resid 114 and name HA) ( resid 115 and name HB3) 4.4 0.9 0.9 volume=0.247 peak=220 ppm1=2.797 ppm2=2.004 assign ( resid 118 and name HA2) ( resid 119 and name H) 4.2 0.8 0.8 volume=0.338 peak=3291 ppm1=3.811 ppm2=7.349 assign ( resid 31 and name HD1*) ( resid 31 and name HG13) 2.0 0.2 0.4 volume=32.707 peak=3127 ppm1=0.448 ppm2=0.494 assign ( resid 79 and name HA) ( resid 78 and name HA) 4.1 0.8 0.8 volume=0.378 peak=661 ppm1=4.680 ppm2=5.151 assign ( resid 13 and name HG3) ( resid 13 and name HA) 3.2 0.6 0.6 volume=1.780 peak=628 ppm1=2.351 ppm2=4.000 assign ( resid 122 and name HG2) ( resid 122 and name HD2) 3.3 0.7 0.7 volume=1.489 peak=159 ppm1=1.062 ppm2=1.832 assign ( resid 102 and name HA) ( resid 102 and name H) 3.8 0.8 0.8 volume=0.656 peak=3415 ppm1=4.633 ppm2=8.491 assign ( resid 115 and name HA) ( resid 116 and name HA) 4.9 1.0 1.0 volume=0.128 peak=1248 ppm1=3.953 ppm2=3.568 assign ( resid 94 and name HA3) ( resid 93 and name HA2) 5.0 1.0 1.0 volume=0.122 peak=3163 ppm1=3.978 ppm2=4.398 assign ( resid 50 and name HB3) ( resid 50 and name HB2) 3.5 0.7 0.7 volume=0.956 peak=2415 ppm1=1.320 ppm2=1.610 assign ( resid 96 and name HA) ( resid 97 and name HB3) 4.5 0.9 0.9 volume=0.236 peak=934 ppm1=3.872 ppm2=3.091 assign ( resid 91 and name HG3) ( resid 91 and name HB3) 2.9 0.6 0.6 volume=3.030 peak=130 ppm1=2.135 ppm2=1.962 assign ( resid 6 and name HG2*) ( resid 6 and name H) 3.9 0.8 0.8 volume=0.529 peak=2581 ppm1=1.590 ppm2=7.726 assign ( resid 121 and name HG3) ( resid 121 and name HB3) 2.5 0.5 0.5 volume=8.193 peak=2376 ppm1=2.251 ppm2=2.069 assign ( resid 41 and name HB3) ( resid 42 and name HA) 3.8 0.8 0.8 volume=0.568 peak=3333 ppm1=2.257 ppm2=4.398 assign ( resid 41 and name HB2) ( resid 41 and name HG3) 2.7 0.5 0.5 volume=5.049 peak=3375 ppm1=2.035 ppm2=1.974 assign ( resid 36 and name HG3) ( resid 36 and name HB2) 4.2 0.8 0.8 volume=0.350 peak=2872 ppm1=2.025 ppm2=2.503 assign ( resid 3 and name HB2) ( resid 4 and name HA) 3.8 0.8 0.8 volume=0.652 peak=473 ppm1=1.722 ppm2=4.306 assign ( resid 44 and name HA) ( resid 44 and name H) 4.0 0.8 0.8 volume=0.476 peak=3193 ppm1=4.470 ppm2=7.483 assign ( resid 67 and name HB2) ( resid 67 and name HA) 3.4 0.7 0.7 volume=1.242 peak=1911 ppm1=1.697 ppm2=4.972 assign ( resid 114 and name HG3) ( resid 114 and name HB2) 2.9 0.6 0.6 volume=2.858 peak=423 ppm1=1.319 ppm2=1.744 assign ( resid 79 and name HG2*) ( resid 80 and name H) 4.3 0.9 0.9 volume=0.286 peak=2118 ppm1=1.094 ppm2=7.912 assign ( resid 57 and name HG2) ( resid 57 and name HA) 3.7 0.7 0.7 volume=0.674 peak=2391 ppm1=1.133 ppm2=4.621 assign ( resid 126 and name HG1*) ( resid 126 and name HA) 3.4 0.7 0.7 volume=1.282 peak=1616 ppm1=0.865 ppm2=4.940 assign ( resid 94 and name HA2) ( resid 95 and name HB2) 4.8 1.0 1.0 volume=0.141 peak=136 ppm1=3.864 ppm2=2.602 assign ( resid 28 and name HA) ( resid 29 and name H) 3.7 0.7 0.7 volume=0.680 peak=2615 ppm1=4.983 ppm2=8.024 assign ( resid 112 and name HG1*) ( resid 112 and name HB) 2.6 0.5 0.5 volume=6.676 peak=2475 ppm1=0.880 ppm2=1.759 assign ( resid 74 and name HE*) ( resid 116 and name HD2*) 2.2 0.4 0.4 volume=15.595 peak=2926 ppm1=1.642 ppm2=0.612 assign ( resid 74 and name HE*) ( resid 74 and name HG3) 3.7 0.7 0.7 volume=0.712 peak=2944 ppm1=1.644 ppm2=2.288 assign ( resid 16 and name HB3) ( resid 16 and name HD2) 4.2 0.8 0.8 volume=0.344 peak=897 ppm1=2.477 ppm2=4.381 assign ( resid 115 and name HB2) ( resid 116 and name H) 3.5 0.7 0.7 volume=1.003 peak=946 ppm1=2.013 ppm2=8.673 assign ( resid 41 and name HD2) ( resid 41 and name HG2) 3.4 0.7 0.7 volume=1.122 peak=1153 ppm1=3.619 ppm2=2.024 assign ( resid 106 and name HG2*) ( resid 31 and name HA) 4.2 0.8 0.8 volume=0.335 peak=2007 ppm1=0.663 ppm2=5.086 assign ( resid 23 and name HA3) ( resid 24 and name HB3) 4.4 0.9 0.9 volume=0.238 peak=210 ppm1=3.771 ppm2=1.770 assign ( resid 35 and name HG2) ( resid 35 and name HA) 5.2 1.0 1.0 volume=0.090 peak=902 ppm1=1.145 ppm2=5.117 assign ( resid 5 and name HB2) ( resid 4 and name HA) 3.8 0.8 0.8 volume=0.659 peak=2894 ppm1=2.693 ppm2=4.306 assign ( resid 95 and name HA) ( resid 94 and name HA3) 3.7 0.7 0.7 volume=0.694 peak=953 ppm1=5.163 ppm2=3.978 assign ( resid 71 and name HB3) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.671 peak=3015 ppm1=1.766 ppm2=10.387 assign ( resid 110 and name HD2) ( resid 109 and name HB3) 4.3 0.9 0.9 volume=0.273 peak=3463 ppm1=3.926 ppm2=1.330 assign ( resid 113 and name HB3) ( resid 113 and name HA) 4.2 0.8 0.8 volume=0.340 peak=190 ppm1=1.382 ppm2=4.091 assign ( resid 77 and name HA) ( resid 76 and name H) 4.4 0.9 0.9 volume=0.271 peak=2105 ppm1=4.686 ppm2=8.186 assign ( resid 25 and name HG2*) ( resid 26 and name H) 3.7 0.7 0.7 volume=0.673 peak=2971 ppm1=0.684 ppm2=9.291 assign ( resid 11 and name HB2) ( resid 11 and name HA) 4.1 0.8 0.8 volume=0.389 peak=3427 ppm1=2.854 ppm2=4.264 assign ( resid 36 and name HD3) ( resid 36 and name HB3) 3.3 0.7 0.7 volume=1.497 peak=1985 ppm1=3.712 ppm2=2.008 assign ( resid 37 and name HG2*) ( resid 37 and name H) 3.2 0.6 0.6 volume=1.589 peak=2102 ppm1=1.283 ppm2=7.317 assign ( resid 104 and name HA2) ( resid 105 and name H) 5.2 1.0 1.0 volume=0.095 peak=3094 ppm1=3.223 ppm2=9.126 assign ( resid 58 and name HA2) ( resid 66 and name HE*) 4.1 0.8 0.8 volume=0.375 peak=1017 ppm1=3.911 ppm2=5.995 assign ( resid 113 and name HB2) ( resid 113 and name HA) 4.4 0.9 0.9 volume=0.262 peak=330 ppm1=2.173 ppm2=4.093 assign ( resid 40 and name HA) ( resid 41 and name HG2) 3.9 0.8 0.8 volume=0.553 peak=613 ppm1=4.469 ppm2=2.017 assign ( resid 5 and name HB2) ( resid 5 and name H) 3.4 0.7 0.7 volume=1.174 peak=1222 ppm1=2.693 ppm2=8.429 assign ( resid 2 and name HA) ( resid 3 and name H) 3.4 0.7 0.7 volume=1.184 peak=987 ppm1=4.636 ppm2=8.387 assign ( resid 56 and name HB2) ( resid 55 and name HA) 4.8 1.0 1.0 volume=0.153 peak=1332 ppm1=1.392 ppm2=4.349 assign ( resid 89 and name HA) ( resid 89 and name H) 4.1 0.8 0.8 volume=0.398 peak=1440 ppm1=5.207 ppm2=7.154 assign ( resid 22 and name HB2) ( resid 21 and name HG3) 3.9 0.8 0.8 volume=0.503 peak=1856 ppm1=2.680 ppm2=1.200 assign ( resid 48 and name HB3) ( resid 48 and name H) 4.5 0.9 0.9 volume=0.213 peak=2956 ppm1=3.512 ppm2=8.015 assign ( resid 21 and name HD2) ( resid 21 and name H) 4.8 1.0 1.0 volume=0.160 peak=1152 ppm1=1.606 ppm2=8.465 assign ( resid 39 and name HB2) ( resid 40 and name HA) 3.7 0.7 0.7 volume=0.724 peak=1198 ppm1=2.027 ppm2=4.466 assign ( resid 13 and name HB2) ( resid 14 and name H) 3.7 0.7 0.7 volume=0.681 peak=367 ppm1=2.074 ppm2=7.737 assign ( resid 19 and name HA) ( resid 19 and name H) 4.6 0.9 0.9 volume=0.182 peak=2260 ppm1=5.371 ppm2=9.157 assign ( resid 71 and name HB2) ( resid 72 and name HE*) 4.4 0.9 0.9 volume=0.267 peak=2086 ppm1=2.438 ppm2=6.500 assign ( resid 122 and name HE2) ( resid 122 and name HG2) 3.6 0.7 0.7 volume=0.818 peak=2417 ppm1=3.046 ppm2=1.062 assign ( resid 29 and name HA) ( resid 28 and name HA) 4.6 0.9 0.9 volume=0.202 peak=3468 ppm1=4.347 ppm2=4.980 assign ( resid 41 and name HD3) ( resid 41 and name HG2) 3.4 0.7 0.7 volume=1.145 peak=2794 ppm1=3.788 ppm2=2.024 assign ( resid 39 and name HG3) ( resid 40 and name H) 5.0 1.0 1.0 volume=0.120 peak=365 ppm1=1.990 ppm2=8.707 assign ( resid 53 and name HA) ( resid 53 and name H) 3.2 0.6 0.6 volume=1.683 peak=2243 ppm1=4.391 ppm2=8.328 assign ( resid 11 and name HA) ( resid 11 and name HB3) 3.9 0.8 0.8 volume=0.488 peak=565 ppm1=4.264 ppm2=3.129 assign ( resid 92 and name HB3) ( resid 93 and name HA2) 4.4 0.9 0.9 volume=0.270 peak=2681 ppm1=2.321 ppm2=4.398 assign ( resid 15 and name HA) ( resid 15 and name HB2) 4.2 0.8 0.8 volume=0.348 peak=611 ppm1=3.385 ppm2=2.232 assign ( resid 102 and name HB3) ( resid 102 and name HA) 4.0 0.8 0.8 volume=0.428 peak=22 ppm1=3.773 ppm2=4.633 assign ( resid 114 and name HB3) ( resid 114 and name HE3) 4.4 0.9 0.9 volume=0.255 peak=2579 ppm1=1.770 ppm2=3.015 assign ( resid 63 and name HA2) ( resid 63 and name HA3) 2.9 0.6 0.6 volume=3.075 peak=3028 ppm1=3.615 ppm2=4.356 assign ( resid 41 and name HD3) ( resid 41 and name HB2) 3.4 0.7 0.7 volume=1.145 peak=2822 ppm1=3.788 ppm2=2.035 assign ( resid 19 and name HA) ( resid 19 and name HD*) 4.0 0.8 0.8 volume=0.441 peak=485 ppm1=5.371 ppm2=6.864 assign ( resid 98 and name HG2) ( resid 98 and name HB2) 3.9 0.8 0.8 volume=0.551 peak=2094 ppm1=-0.173 ppm2=1.408 assign ( resid 23 and name HA2) ( resid 22 and name H) 4.5 0.9 0.9 volume=0.215 peak=2117 ppm1=4.211 ppm2=8.648 assign ( resid 119 and name HB3) ( resid 119 and name HG3) 3.9 0.8 0.8 volume=0.515 peak=2998 ppm1=1.984 ppm2=2.702 assign ( resid 24 and name HE3) ( resid 24 and name HG2) 3.1 0.6 0.6 volume=1.908 peak=38 ppm1=2.992 ppm2=1.408 assign ( resid 76 and name HG2*) ( resid 76 and name HG12) 3.2 0.6 0.6 volume=1.622 peak=2839 ppm1=0.611 ppm2=1.930 assign ( resid 116 and name HD1*) ( resid 19 and name HE*) 4.7 0.9 0.9 volume=0.160 peak=268 ppm1=0.382 ppm2=6.509 assign ( resid 86 and name HB3) ( resid 86 and name HB2) 4.1 0.8 0.8 volume=0.366 peak=3326 ppm1=2.202 ppm2=2.437 assign ( resid 99 and name HA) ( resid 98 and name HB2) 4.5 0.9 0.9 volume=0.211 peak=3422 ppm1=4.482 ppm2=1.408 assign ( resid 66 and name HB2) ( resid 66 and name HB3) 3.3 0.7 0.7 volume=1.305 peak=111 ppm1=2.887 ppm2=2.563 assign ( resid 90 and name HG3) ( resid 90 and name HD3) 3.5 0.7 0.7 volume=1.075 peak=1792 ppm1=2.077 ppm2=3.999 assign ( resid 110 and name HB3) ( resid 110 and name HG3) 3.9 0.8 0.8 volume=0.506 peak=290 ppm1=2.646 ppm2=1.805 assign ( resid 76 and name HG13) ( resid 76 and name HD1*) 4.8 1.0 1.0 volume=0.146 peak=2508 ppm1=0.927 ppm2=0.149 assign ( resid 54 and name HB*) ( resid 55 and name H) 3.0 0.6 0.6 volume=2.417 peak=2611 ppm1=0.909 ppm2=8.399 assign ( resid 70 and name HG2*) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.770 peak=1583 ppm1=0.514 ppm2=10.377 assign ( resid 21 and name HG3) ( resid 21 and name HA) 3.6 0.7 0.7 volume=0.899 peak=1220 ppm1=1.203 ppm2=4.545 assign ( resid 3 and name HG3) ( resid 3 and name HB3) 3.2 0.6 0.6 volume=1.746 peak=2766 ppm1=2.409 ppm2=1.914 assign ( resid 9 and name HB3) ( resid 9 and name HG2) 3.1 0.6 0.6 volume=2.268 peak=88 ppm1=2.575 ppm2=2.560 assign ( resid 125 and name HB3) ( resid 125 and name HD2) 3.8 0.8 0.8 volume=0.576 peak=1609 ppm1=1.935 ppm2=4.465 assign ( resid 36 and name HB3) ( resid 36 and name HD3) 4.1 0.8 0.8 volume=0.395 peak=1599 ppm1=2.008 ppm2=3.712 assign ( resid 57 and name HE2) ( resid 57 and name HB2) 2.8 0.6 0.6 volume=3.848 peak=222 ppm1=2.776 ppm2=1.456 assign ( resid 18 and name HB2) ( resid 18 and name HA) 4.1 0.8 0.8 volume=0.399 peak=3080 ppm1=2.672 ppm2=4.955 assign ( resid 81 and name HG1*) ( resid 81 and name HA) 3.1 0.6 0.6 volume=1.918 peak=1106 ppm1=0.781 ppm2=4.291 assign ( resid 100 and name HD2) ( resid 100 and name HA) 3.2 0.6 0.6 volume=1.822 peak=3033 ppm1=3.226 ppm2=4.787 assign ( resid 57 and name HE3) ( resid 57 and name HD2) 2.7 0.5 0.5 volume=5.119 peak=1391 ppm1=2.783 ppm2=1.506 assign ( resid 70 and name HG2*) ( resid 52 and name HA) 3.8 0.8 0.8 volume=0.585 peak=2361 ppm1=0.514 ppm2=4.922 assign ( resid 98 and name HB3) ( resid 99 and name HA) 5.0 1.0 1.0 volume=0.113 peak=212 ppm1=1.436 ppm2=4.482 assign ( resid 127 and name HD1*) ( resid 127 and name HB2) 2.9 0.6 0.6 volume=3.262 peak=329 ppm1=0.832 ppm2=1.871 assign ( resid 4 and name HB3) ( resid 4 and name HG3) 2.9 0.6 0.6 volume=3.250 peak=1227 ppm1=1.860 ppm2=2.220 assign ( resid 21 and name HB3) ( resid 21 and name HE2) 4.6 0.9 0.9 volume=0.186 peak=3207 ppm1=1.102 ppm2=2.999 assign ( resid 122 and name HG2) ( resid 122 and name HA) 4.1 0.8 0.8 volume=0.415 peak=89 ppm1=1.062 ppm2=3.688 assign ( resid 35 and name HA) ( resid 36 and name HG3) 4.5 0.9 0.9 volume=0.217 peak=1630 ppm1=5.117 ppm2=2.025 assign ( resid 117 and name HA) ( resid 118 and name H) 4.1 0.8 0.8 volume=0.396 peak=2981 ppm1=3.790 ppm2=7.185 assign ( resid 91 and name HB3) ( resid 90 and name HA) 3.5 0.7 0.7 volume=1.050 peak=2191 ppm1=1.962 ppm2=4.493 assign ( resid 37 and name HA) ( resid 37 and name HG2*) 2.8 0.6 0.6 volume=3.768 peak=801 ppm1=4.266 ppm2=1.283 assign ( resid 119 and name HE*) ( resid 119 and name HG2) 3.6 0.7 0.7 volume=0.833 peak=584 ppm1=2.078 ppm2=2.557 assign ( resid 74 and name HG3) ( resid 74 and name H) 4.9 1.0 1.0 volume=0.125 peak=3445 ppm1=2.295 ppm2=7.924 assign ( resid 96 and name HD2*) ( resid 96 and name HG) 2.8 0.6 0.6 volume=3.846 peak=514 ppm1=0.726 ppm2=1.716 assign ( resid 35 and name HG3) ( resid 35 and name HE2) 4.2 0.8 0.8 volume=0.352 peak=1006 ppm1=1.597 ppm2=2.890 assign ( resid 125 and name HD3) ( resid 124 and name H) 5.5 1.1 1.1 volume=0.068 peak=2057 ppm1=4.314 ppm2=7.420 assign ( resid 31 and name HD1*) ( resid 32 and name H) 3.6 0.7 0.7 volume=0.863 peak=1124 ppm1=0.449 ppm2=8.263 assign ( resid 115 and name HB3) ( resid 116 and name H) 3.5 0.7 0.7 volume=0.988 peak=206 ppm1=2.004 ppm2=8.667 assign ( resid 31 and name HD1*) ( resid 31 and name HG12) 3.0 0.6 0.6 volume=2.555 peak=2622 ppm1=0.448 ppm2=0.800 assign ( resid 39 and name HA) ( resid 39 and name HB2) 3.4 0.7 0.7 volume=1.108 peak=2638 ppm1=4.183 ppm2=2.024 assign ( resid 98 and name HG2) ( resid 98 and name HD3) 3.8 0.8 0.8 volume=0.572 peak=3035 ppm1=-0.170 ppm2=1.279 assign ( resid 50 and name HD3) ( resid 50 and name HB3) 3.2 0.6 0.6 volume=1.849 peak=827 ppm1=1.700 ppm2=1.320 assign ( resid 17 and name HA) ( resid 18 and name HB2) 4.5 0.9 0.9 volume=0.214 peak=2569 ppm1=5.630 ppm2=2.672 assign ( resid 95 and name HA) ( resid 95 and name HB3) 3.3 0.7 0.7 volume=1.327 peak=2141 ppm1=5.164 ppm2=2.710 assign ( resid 3 and name HA) ( resid 4 and name HB3) 3.1 0.6 0.6 volume=1.929 peak=252 ppm1=4.345 ppm2=1.861 assign ( resid 30 and name HA) ( resid 30 and name HB3) 3.9 0.8 0.8 volume=0.507 peak=758 ppm1=5.336 ppm2=2.659 assign ( resid 90 and name HA) ( resid 91 and name HB2) 4.3 0.9 0.9 volume=0.300 peak=1420 ppm1=4.493 ppm2=1.649 assign ( resid 60 and name HB3) ( resid 60 and name HD22) 3.8 0.8 0.8 volume=0.602 peak=51 ppm1=3.041 ppm2=7.593 assign ( resid 108 and name HB) ( resid 109 and name HA) 4.4 0.9 0.9 volume=0.248 peak=107 ppm1=3.416 ppm2=4.442 assign ( resid 4 and name HG2) ( resid 5 and name H) 3.5 0.7 0.7 volume=1.088 peak=1025 ppm1=2.231 ppm2=8.429 assign ( resid 3 and name HG2) ( resid 3 and name H) 4.5 0.9 0.9 volume=0.210 peak=309 ppm1=2.341 ppm2=8.403 assign ( resid 87 and name HB3) ( resid 86 and name HA) 4.7 0.9 0.9 volume=0.179 peak=635 ppm1=2.725 ppm2=3.619 assign ( resid 65 and name HA) ( resid 65 and name HG2) 3.7 0.7 0.7 volume=0.738 peak=2768 ppm1=4.979 ppm2=2.001 assign ( resid 23 and name HA2) ( resid 24 and name HB3) 4.3 0.9 0.9 volume=0.274 peak=1978 ppm1=4.211 ppm2=1.770 assign ( resid 61 and name HA) ( resid 62 and name H) 4.1 0.8 0.8 volume=0.409 peak=433 ppm1=4.379 ppm2=7.730 assign ( resid 18 and name HB3) ( resid 18 and name HB2) 3.5 0.7 0.7 volume=0.931 peak=3392 ppm1=3.294 ppm2=2.652 assign ( resid 35 and name HB3) ( resid 35 and name HG3) 3.7 0.7 0.7 volume=0.667 peak=1603 ppm1=1.453 ppm2=1.598 assign ( resid 100 and name HD2) ( resid 100 and name H) 5.4 1.1 1.1 volume=0.071 peak=3 ppm1=3.226 ppm2=8.891 assign ( resid 69 and name HD3) ( resid 69 and name HG3) 3.4 0.7 0.7 volume=1.281 peak=1572 ppm1=3.593 ppm2=2.165 assign ( resid 65 and name HB3) ( resid 65 and name HA) 3.4 0.7 0.7 volume=1.220 peak=3159 ppm1=2.240 ppm2=4.979 assign ( resid 12 and name HA) ( resid 12 and name H) 4.1 0.8 0.8 volume=0.398 peak=1611 ppm1=3.704 ppm2=9.566 assign ( resid 39 and name HD3) ( resid 38 and name HB) 4.1 0.8 0.8 volume=0.368 peak=2358 ppm1=3.399 ppm2=4.343 assign ( resid 47 and name HB) ( resid 46 and name HA) 5.1 1.0 1.0 volume=0.108 peak=435 ppm1=1.957 ppm2=5.175 assign ( resid 7 and name HB3) ( resid 7 and name HB2) 3.9 0.8 0.8 volume=0.526 peak=2995 ppm1=2.732 ppm2=3.529 assign ( resid 71 and name HA) ( resid 71 and name H) 3.8 0.8 0.8 volume=0.567 peak=1279 ppm1=4.313 ppm2=10.389 assign ( resid 113 and name HB2) ( resid 113 and name H) 4.3 0.9 0.9 volume=0.278 peak=599 ppm1=2.173 ppm2=8.602 assign ( resid 74 and name HA) ( resid 74 and name HB2) 4.1 0.8 0.8 volume=0.384 peak=1234 ppm1=4.914 ppm2=1.643 assign ( resid 91 and name HB3) ( resid 92 and name HA) 3.8 0.8 0.8 volume=0.572 peak=3011 ppm1=1.962 ppm2=4.437 assign ( resid 62 and name HB3) ( resid 63 and name HA3) 4.2 0.8 0.8 volume=0.342 peak=570 ppm1=2.626 ppm2=4.366 assign ( resid 21 and name HB2) ( resid 21 and name HE3) 4.5 0.9 0.9 volume=0.208 peak=410 ppm1=1.520 ppm2=3.007 assign ( resid 4 and name HG3) ( resid 4 and name HB3) 2.6 0.5 0.5 volume=5.410 peak=192 ppm1=2.240 ppm2=1.861 assign ( resid 120 and name HG2*) ( resid 121 and name H) 3.5 0.7 0.7 volume=0.921 peak=1378 ppm1=0.583 ppm2=8.122 assign ( resid 93 and name HA2) ( resid 92 and name H) 4.1 0.8 0.8 volume=0.394 peak=845 ppm1=4.398 ppm2=8.644 assign ( resid 57 and name HG3) ( resid 57 and name HD2) 2.9 0.6 0.6 volume=3.064 peak=1919 ppm1=1.153 ppm2=1.506 assign ( resid 13 and name HB2) ( resid 13 and name HG3) 3.0 0.6 0.6 volume=2.555 peak=2389 ppm1=2.076 ppm2=2.351 assign ( resid 72 and name HB3) ( resid 73 and name H) 4.9 1.0 1.0 volume=0.126 peak=2789 ppm1=2.424 ppm2=9.010 assign ( resid 116 and name HD2*) ( resid 116 and name H) 3.6 0.7 0.7 volume=0.873 peak=2815 ppm1=0.619 ppm2=8.650 assign ( resid 44 and name HB) ( resid 44 and name HG1*) 2.9 0.6 0.6 volume=2.962 peak=1473 ppm1=1.779 ppm2=0.797 assign ( resid 57 and name HG3) ( resid 57 and name HA) 3.8 0.8 0.8 volume=0.659 peak=2151 ppm1=1.153 ppm2=4.621 assign ( resid 48 and name HB2) ( resid 48 and name HB3) 3.8 0.8 0.8 volume=0.577 peak=1208 ppm1=2.789 ppm2=3.516 assign ( resid 129 and name HB2) ( resid 129 and name HD*) 3.7 0.7 0.7 volume=0.701 peak=338 ppm1=2.988 ppm2=7.182 assign ( resid 127 and name HG) ( resid 127 and name HA) 3.8 0.8 0.8 volume=0.616 peak=2179 ppm1=1.758 ppm2=5.059 assign ( resid 51 and name HB2) ( resid 51 and name HA) 3.6 0.7 0.7 volume=0.787 peak=418 ppm1=2.190 ppm2=4.936 assign ( resid 57 and name HA) ( resid 57 and name HB3) 3.2 0.6 0.6 volume=1.592 peak=2329 ppm1=4.621 ppm2=1.663 assign ( resid 129 and name HB3) ( resid 129 and name H) 4.5 0.9 0.9 volume=0.217 peak=923 ppm1=3.196 ppm2=8.830 assign ( resid 53 and name HA) ( resid 52 and name HB3) 3.9 0.8 0.8 volume=0.514 peak=1334 ppm1=4.393 ppm2=1.910 assign ( resid 57 and name HA) ( resid 56 and name HB2) 3.9 0.8 0.8 volume=0.498 peak=2252 ppm1=4.621 ppm2=1.392 assign ( resid 113 and name HE*) ( resid 120 and name HG1*) 4.4 0.9 0.9 volume=0.239 peak=1762 ppm1=2.085 ppm2=0.159 assign ( resid 95 and name HA) ( resid 96 and name HB2) 4.0 0.8 0.8 volume=0.447 peak=761 ppm1=5.163 ppm2=2.102 assign ( resid 57 and name HE2) ( resid 57 and name HB3) 3.3 0.7 0.7 volume=1.350 peak=502 ppm1=2.776 ppm2=1.655 assign ( resid 61 and name HA) ( resid 61 and name HB3) 2.8 0.6 0.6 volume=3.653 peak=2113 ppm1=4.379 ppm2=2.715 assign ( resid 52 and name HG3) ( resid 53 and name H) 4.5 0.9 0.9 volume=0.220 peak=1755 ppm1=2.032 ppm2=8.324 assign ( resid 76 and name HB) ( resid 76 and name HG13) 4.5 0.9 0.9 volume=0.223 peak=896 ppm1=1.969 ppm2=0.927 assign ( resid 96 and name HD2*) ( resid 96 and name HB2) 3.2 0.6 0.6 volume=1.601 peak=964 ppm1=0.726 ppm2=2.100 assign ( resid 50 and name HE2) ( resid 50 and name HD3) 2.4 0.5 0.5 volume=9.944 peak=2481 ppm1=3.005 ppm2=1.700 assign ( resid 25 and name HA) ( resid 24 and name HA) 4.7 0.9 0.9 volume=0.168 peak=643 ppm1=3.262 ppm2=4.763 assign ( resid 60 and name HA) ( resid 60 and name H) 5.1 1.0 1.0 volume=0.102 peak=1439 ppm1=4.920 ppm2=9.421 assign ( resid 10 and name HA) ( resid 11 and name HB3) 4.6 0.9 0.9 volume=0.190 peak=1357 ppm1=4.530 ppm2=3.129 assign ( resid 80 and name HA3) ( resid 79 and name HA) 3.1 0.6 0.6 volume=2.256 peak=2900 ppm1=3.837 ppm2=4.662 assign ( resid 38 and name HG2*) ( resid 38 and name HB) 2.9 0.6 0.6 volume=3.428 peak=3229 ppm1=1.161 ppm2=4.338 assign ( resid 35 and name HG2) ( resid 35 and name HB3) 4.1 0.8 0.8 volume=0.393 peak=3201 ppm1=1.145 ppm2=1.453 assign ( resid 119 and name HA) ( resid 119 and name HE*) 3.0 0.6 0.6 volume=2.325 peak=3353 ppm1=4.458 ppm2=2.076 assign ( resid 69 and name HG3) ( resid 69 and name HD3) 3.3 0.7 0.7 volume=1.551 peak=483 ppm1=2.183 ppm2=3.588 assign ( resid 83 and name HA) ( resid 82 and name HA3) 4.9 1.0 1.0 volume=0.128 peak=826 ppm1=4.647 ppm2=3.949 assign ( resid 98 and name HA) ( resid 98 and name H) 4.2 0.8 0.8 volume=0.355 peak=2213 ppm1=3.084 ppm2=6.522 assign ( resid 117 and name HA) ( resid 117 and name HB3) 3.6 0.7 0.7 volume=0.805 peak=3478 ppm1=3.784 ppm2=2.571 assign ( resid 108 and name HA) ( resid 109 and name HD3) 3.8 0.8 0.8 volume=0.638 peak=549 ppm1=4.420 ppm2=3.042 assign ( resid 29 and name HB) ( resid 29 and name HA) 3.6 0.7 0.7 volume=0.877 peak=1819 ppm1=3.965 ppm2=4.336 assign ( resid 122 and name HD3) ( resid 122 and name HG3) 3.4 0.7 0.7 volume=1.244 peak=1308 ppm1=1.808 ppm2=1.379 assign ( resid 50 and name HG2) ( resid 50 and name H) 4.8 1.0 1.0 volume=0.157 peak=710 ppm1=0.706 ppm2=7.518 assign ( resid 12 and name HD1*) ( resid 12 and name H) 3.9 0.8 0.8 volume=0.500 peak=2522 ppm1=0.565 ppm2=9.565 assign ( resid 31 and name HD1*) ( resid 32 and name HA) 3.3 0.7 0.7 volume=1.405 peak=2328 ppm1=0.448 ppm2=4.818 assign ( resid 77 and name HB3) ( resid 77 and name HA) 4.1 0.8 0.8 volume=0.379 peak=1720 ppm1=2.465 ppm2=4.686 assign ( resid 110 and name HG3) ( resid 110 and name HB3) 3.7 0.7 0.7 volume=0.760 peak=2947 ppm1=1.814 ppm2=2.648 assign ( resid 38 and name HA) ( resid 39 and name HB3) 4.3 0.9 0.9 volume=0.294 peak=3474 ppm1=4.580 ppm2=1.830 assign ( resid 74 and name HE*) ( resid 117 and name HA) 3.3 0.7 0.7 volume=1.358 peak=532 ppm1=1.642 ppm2=3.783 assign ( resid 15 and name HG2) ( resid 15 and name H) 4.4 0.9 0.9 volume=0.263 peak=2572 ppm1=2.090 ppm2=8.041 assign ( resid 5 and name HB2) ( resid 7 and name H) 4.3 0.9 0.9 volume=0.303 peak=1923 ppm1=2.692 ppm2=8.659 assign ( resid 73 and name HB3) ( resid 73 and name H) 4.5 0.9 0.9 volume=0.212 peak=2276 ppm1=2.815 ppm2=9.010 assign ( resid 27 and name HD2*) ( resid 27 and name HA) 3.6 0.7 0.7 volume=0.854 peak=515 ppm1=0.818 ppm2=4.470 assign ( resid 21 and name HB3) ( resid 21 and name H) 4.2 0.8 0.8 volume=0.326 peak=3389 ppm1=1.105 ppm2=8.469 assign ( resid 3 and name HG2) ( resid 3 and name HA) 3.8 0.8 0.8 volume=0.648 peak=143 ppm1=2.343 ppm2=4.328 assign ( resid 83 and name HD1*) ( resid 83 and name HB) 2.7 0.5 0.5 volume=4.369 peak=669 ppm1=0.656 ppm2=1.461 assign ( resid 29 and name HA) ( resid 30 and name HB2) 4.2 0.8 0.8 volume=0.353 peak=40 ppm1=4.344 ppm2=2.580 assign ( resid 64 and name HA) ( resid 65 and name HB2) 4.5 0.9 0.9 volume=0.208 peak=1127 ppm1=4.567 ppm2=1.863 assign ( resid 75 and name HG2) ( resid 75 and name HD2) 4.8 1.0 1.0 volume=0.143 peak=790 ppm1=0.228 ppm2=3.156 assign ( resid 26 and name HA) ( resid 25 and name H) 5.1 1.0 1.0 volume=0.104 peak=430 ppm1=4.448 ppm2=8.700 assign ( resid 67 and name HA) ( resid 67 and name HG3) 3.4 0.7 0.7 volume=1.116 peak=2400 ppm1=4.972 ppm2=1.990 assign ( resid 109 and name HG3) ( resid 109 and name HD3) 3.7 0.7 0.7 volume=0.770 peak=1526 ppm1=1.385 ppm2=3.057 assign ( resid 113 and name HE*) ( resid 83 and name H) 4.7 0.9 0.9 volume=0.161 peak=979 ppm1=2.087 ppm2=8.305 assign ( resid 4 and name HB2) ( resid 3 and name HA) 3.5 0.7 0.7 volume=1.008 peak=1280 ppm1=2.059 ppm2=4.345 assign ( resid 65 and name HA) ( resid 65 and name HD3) 4.9 1.0 1.0 volume=0.140 peak=3090 ppm1=4.979 ppm2=3.703 assign ( resid 74 and name HB2) ( resid 74 and name HG2) 4.6 0.9 0.9 volume=0.191 peak=1307 ppm1=1.643 ppm2=2.485 assign ( resid 110 and name HA) ( resid 111 and name HA) 3.6 0.7 0.7 volume=0.801 peak=1448 ppm1=3.981 ppm2=3.889 assign ( resid 18 and name HB3) ( resid 18 and name HA) 4.2 0.8 0.8 volume=0.335 peak=3025 ppm1=3.300 ppm2=4.955 assign ( resid 43 and name HA3) ( resid 43 and name HA2) 3.4 0.7 0.7 volume=1.263 peak=1381 ppm1=4.037 ppm2=3.628 assign ( resid 119 and name HB3) ( resid 119 and name HA) 3.7 0.7 0.7 volume=0.757 peak=1497 ppm1=1.986 ppm2=4.456 assign ( resid 31 and name HG13) ( resid 31 and name HG2*) 2.9 0.6 0.6 volume=2.915 peak=2604 ppm1=0.494 ppm2=0.609 assign ( resid 59 and name HB) ( resid 58 and name HA2) 2.4 0.5 0.5 volume=8.982 peak=2055 ppm1=3.867 ppm2=3.909 assign ( resid 92 and name HB2) ( resid 93 and name H) 4.6 0.9 0.9 volume=0.199 peak=2596 ppm1=2.563 ppm2=7.990 assign ( resid 52 and name HG3) ( resid 52 and name H) 4.0 0.8 0.8 volume=0.417 peak=833 ppm1=2.030 ppm2=8.645 assign ( resid 106 and name HG2*) ( resid 31 and name HD1*) 3.0 0.6 0.6 volume=2.684 peak=1342 ppm1=0.663 ppm2=0.460 assign ( resid 106 and name HG13) ( resid 106 and name HG12) 3.2 0.6 0.6 volume=1.671 peak=2663 ppm1=0.898 ppm2=1.338 assign ( resid 89 and name HB3) ( resid 89 and name HA) 4.6 0.9 0.9 volume=0.185 peak=1533 ppm1=1.638 ppm2=5.207 assign ( resid 35 and name HE2) ( resid 35 and name HB2) 4.4 0.9 0.9 volume=0.258 peak=862 ppm1=2.893 ppm2=2.159 assign ( resid 74 and name HA) ( resid 74 and name H) 4.7 0.9 0.9 volume=0.170 peak=354 ppm1=4.914 ppm2=7.924 assign ( resid 65 and name HA) ( resid 66 and name HA) 3.2 0.6 0.6 volume=1.672 peak=1547 ppm1=4.979 ppm2=4.900 assign ( resid 54 and name HA) ( resid 53 and name HA) 3.1 0.6 0.6 volume=2.154 peak=1846 ppm1=4.499 ppm2=4.392 assign ( resid 92 and name HA) ( resid 92 and name H) 4.0 0.8 0.8 volume=0.451 peak=2524 ppm1=4.440 ppm2=8.634 assign ( resid 24 and name HD2) ( resid 24 and name HE2) 3.2 0.6 0.6 volume=1.579 peak=3245 ppm1=1.708 ppm2=3.044 assign ( resid 113 and name HG3) ( resid 113 and name HE*) 4.0 0.8 0.8 volume=0.469 peak=1521 ppm1=3.546 ppm2=2.084 assign ( resid 63 and name HA3) ( resid 64 and name H) 3.3 0.7 0.7 volume=1.328 peak=351 ppm1=4.363 ppm2=8.118 assign ( resid 51 and name HG2) ( resid 51 and name HB3) 2.7 0.5 0.5 volume=5.196 peak=550 ppm1=2.215 ppm2=1.984 assign ( resid 98 and name HA) ( resid 98 and name HG2) 4.1 0.8 0.8 volume=0.375 peak=10 ppm1=3.085 ppm2=-0.178 assign ( resid 40 and name HG2*) ( resid 40 and name HA) 3.2 0.6 0.6 volume=1.751 peak=804 ppm1=1.193 ppm2=4.477 assign ( resid 2 and name HB3) ( resid 2 and name HA) 3.3 0.7 0.7 volume=1.374 peak=391 ppm1=3.056 ppm2=4.639 assign ( resid 106 and name HB) ( resid 106 and name H) 4.2 0.8 0.8 volume=0.331 peak=2803 ppm1=1.721 ppm2=8.711 assign ( resid 57 and name HG3) ( resid 57 and name H) 3.9 0.8 0.8 volume=0.492 peak=898 ppm1=1.153 ppm2=8.066 assign ( resid 25 and name HB) ( resid 26 and name H) 4.4 0.9 0.9 volume=0.265 peak=2104 ppm1=1.920 ppm2=9.289 assign ( resid 43 and name HA2) ( resid 43 and name HA3) 3.8 0.8 0.8 volume=0.609 peak=2223 ppm1=3.639 ppm2=4.039 assign ( resid 117 and name HA) ( resid 117 and name HD*) 4.2 0.8 0.8 volume=0.327 peak=1206 ppm1=3.782 ppm2=6.955 assign ( resid 105 and name HB3) ( resid 106 and name H) 4.3 0.9 0.9 volume=0.299 peak=2001 ppm1=3.491 ppm2=8.711 assign ( resid 75 and name HG3) ( resid 75 and name HG2) 4.4 0.9 0.9 volume=0.269 peak=1191 ppm1=0.769 ppm2=0.232 assign ( resid 49 and name HB2) ( resid 75 and name HG3) 4.2 0.8 0.8 volume=0.316 peak=3394 ppm1=2.612 ppm2=0.760 assign ( resid 90 and name HD3) ( resid 91 and name H) 4.2 0.8 0.8 volume=0.317 peak=417 ppm1=3.999 ppm2=7.019 assign ( resid 113 and name HA) ( resid 113 and name HB3) 4.0 0.8 0.8 volume=0.483 peak=2867 ppm1=4.090 ppm2=1.363 assign ( resid 17 and name HG2) ( resid 17 and name HA) 4.2 0.8 0.8 volume=0.357 peak=1875 ppm1=2.264 ppm2=5.617 assign ( resid 95 and name HB3) ( resid 94 and name HA2) 4.4 0.9 0.9 volume=0.246 peak=230 ppm1=2.725 ppm2=3.864 assign ( resid 127 and name HB2) ( resid 127 and name H) 3.8 0.8 0.8 volume=0.621 peak=37 ppm1=1.878 ppm2=9.576 assign ( resid 39 and name HA) ( resid 38 and name HB) 3.9 0.8 0.8 volume=0.528 peak=1178 ppm1=4.183 ppm2=4.343 assign ( resid 128 and name HA) ( resid 128 and name HG1*) 3.3 0.7 0.7 volume=1.381 peak=3249 ppm1=5.052 ppm2=0.817 assign ( resid 109 and name HB2) ( resid 109 and name HD3) 4.4 0.9 0.9 volume=0.246 peak=3372 ppm1=2.015 ppm2=3.057 assign ( resid 10 and name HG2*) ( resid 10 and name H) 3.4 0.7 0.7 volume=1.253 peak=2532 ppm1=0.709 ppm2=9.787 assign ( resid 21 and name HA) ( resid 21 and name HE2) 5.0 1.0 1.0 volume=0.116 peak=2235 ppm1=4.545 ppm2=2.989 assign ( resid 98 and name HB2) ( resid 98 and name HG3) 4.0 0.8 0.8 volume=0.433 peak=3215 ppm1=1.408 ppm2=-0.331 assign ( resid 22 and name HB2) ( resid 22 and name HA) 3.4 0.7 0.7 volume=1.133 peak=3184 ppm1=2.675 ppm2=4.176 assign ( resid 34 and name HA2) ( resid 35 and name H) 4.6 0.9 0.9 volume=0.205 peak=1418 ppm1=4.174 ppm2=8.340 assign ( resid 90 and name HA) ( resid 90 and name HG3) 3.0 0.6 0.6 volume=2.398 peak=1501 ppm1=4.493 ppm2=2.077 assign ( resid 42 and name HB*) ( resid 42 and name H) 2.9 0.6 0.6 volume=3.287 peak=2994 ppm1=1.423 ppm2=7.579 assign ( resid 12 and name HG) ( resid 12 and name HA) 4.5 0.9 0.9 volume=0.232 peak=2671 ppm1=1.456 ppm2=3.700 assign ( resid 106 and name HG12) ( resid 106 and name HG2*) 2.9 0.6 0.6 volume=2.791 peak=949 ppm1=1.339 ppm2=0.660 assign ( resid 20 and name HB2) ( resid 20 and name HD*) 4.1 0.8 0.8 volume=0.396 peak=2735 ppm1=2.016 ppm2=6.206 assign ( resid 79 and name HG2*) ( resid 79 and name H) 3.5 0.7 0.7 volume=1.009 peak=591 ppm1=1.094 ppm2=8.523 assign ( resid 12 and name HB3) ( resid 11 and name HA) 4.9 1.0 1.0 volume=0.127 peak=2418 ppm1=0.957 ppm2=4.257 assign ( resid 120 and name HG1*) ( resid 116 and name HD1*) 2.9 0.6 0.6 volume=2.854 peak=99 ppm1=0.164 ppm2=0.381 assign ( resid 41 and name HG3) ( resid 41 and name HB3) 3.3 0.7 0.7 volume=1.495 peak=2553 ppm1=1.974 ppm2=2.257 assign ( resid 24 and name HB2) ( resid 25 and name H) 3.7 0.7 0.7 volume=0.670 peak=2713 ppm1=1.690 ppm2=8.694 assign ( resid 35 and name HG2) ( resid 35 and name HD3) 3.3 0.7 0.7 volume=1.374 peak=138 ppm1=1.145 ppm2=1.345 assign ( resid 110 and name HB3) ( resid 111 and name H) 4.8 1.0 1.0 volume=0.147 peak=3018 ppm1=2.648 ppm2=8.925 assign ( resid 105 and name HB3) ( resid 84 and name HD2) 4.3 0.9 0.9 volume=0.279 peak=2917 ppm1=3.501 ppm2=6.906 assign ( resid 69 and name HB3) ( resid 69 and name HA) 3.5 0.7 0.7 volume=0.988 peak=1111 ppm1=1.894 ppm2=4.836 assign ( resid 56 and name HA) ( resid 57 and name HA) 4.2 0.8 0.8 volume=0.313 peak=2439 ppm1=4.018 ppm2=4.607 assign ( resid 120 and name HA) ( resid 120 and name HG2*) 3.4 0.7 0.7 volume=1.119 peak=2538 ppm1=3.658 ppm2=0.584 assign ( resid 98 and name HD2) ( resid 98 and name HA) 4.6 0.9 0.9 volume=0.191 peak=3267 ppm1=1.242 ppm2=3.084 assign ( resid 27 and name HB3) ( resid 19 and name H) 4.8 1.0 1.0 volume=0.147 peak=885 ppm1=1.790 ppm2=9.170 assign ( resid 65 and name HB3) ( resid 64 and name HA) 4.1 0.8 0.8 volume=0.367 peak=227 ppm1=2.238 ppm2=4.567 assign ( resid 99 and name HA) ( resid 99 and name HB) 3.0 0.6 0.6 volume=2.652 peak=460 ppm1=4.482 ppm2=4.159 assign ( resid 52 and name HB2) ( resid 52 and name HA) 4.3 0.9 0.9 volume=0.309 peak=1027 ppm1=1.793 ppm2=4.933 assign ( resid 69 and name HB3) ( resid 69 and name HG3) 2.6 0.5 0.5 volume=5.450 peak=1162 ppm1=1.893 ppm2=2.175 assign ( resid 55 and name HA) ( resid 56 and name HD1*) 4.5 0.9 0.9 volume=0.231 peak=127 ppm1=4.354 ppm2=-0.680 assign ( resid 106 and name HG2*) ( resid 106 and name H) 4.1 0.8 0.8 volume=0.390 peak=2582 ppm1=0.658 ppm2=8.709 assign ( resid 109 and name HG3) ( resid 108 and name HA) 3.9 0.8 0.8 volume=0.508 peak=1924 ppm1=1.383 ppm2=4.428 assign ( resid 124 and name HG2*) ( resid 7 and name HB3) 4.0 0.8 0.8 volume=0.482 peak=577 ppm1=1.568 ppm2=2.729 assign ( resid 74 and name HE*) ( resid 117 and name H) 4.3 0.9 0.9 volume=0.279 peak=486 ppm1=1.642 ppm2=8.862 assign ( resid 12 and name HG) ( resid 12 and name H) 4.1 0.8 0.8 volume=0.404 peak=96 ppm1=1.459 ppm2=9.565 assign ( resid 112 and name HG2*) ( resid 112 and name HB) 2.7 0.5 0.5 volume=4.741 peak=2027 ppm1=0.668 ppm2=1.751 assign ( resid 21 and name HA) ( resid 21 and name HB2) 3.3 0.7 0.7 volume=1.509 peak=2148 ppm1=4.545 ppm2=1.520 assign ( resid 35 and name HE3) ( resid 35 and name HD2) 3.4 0.7 0.7 volume=1.194 peak=2840 ppm1=2.839 ppm2=1.610 assign ( resid 63 and name HA2) ( resid 64 and name HB) 2.9 0.6 0.6 volume=3.075 peak=245 ppm1=3.616 ppm2=4.335 assign ( resid 4 and name HG2) ( resid 4 and name H) 3.5 0.7 0.7 volume=0.982 peak=1664 ppm1=2.231 ppm2=8.348 assign ( resid 78 and name HA) ( resid 79 and name H) 3.8 0.8 0.8 volume=0.600 peak=1122 ppm1=5.151 ppm2=8.513 assign ( resid 29 and name HA) ( resid 30 and name H) 3.3 0.7 0.7 volume=1.417 peak=569 ppm1=4.344 ppm2=8.398 assign ( resid 128 and name HG1*) ( resid 128 and name HB) 3.1 0.6 0.6 volume=2.025 peak=2660 ppm1=0.811 ppm2=2.468 assign ( resid 10 and name HA) ( resid 11 and name HA) 4.8 1.0 1.0 volume=0.148 peak=1716 ppm1=4.530 ppm2=4.264 assign ( resid 18 and name HA) ( resid 19 and name HB3) 3.5 0.7 0.7 volume=0.950 peak=3169 ppm1=4.955 ppm2=2.733 assign ( resid 19 and name HB3) ( resid 19 and name H) 4.6 0.9 0.9 volume=0.207 peak=1642 ppm1=2.733 ppm2=9.157 assign ( resid 35 and name HG3) ( resid 35 and name HB3) 4.0 0.8 0.8 volume=0.465 peak=2823 ppm1=1.598 ppm2=1.453 assign ( resid 92 and name HB3) ( resid 92 and name HA) 4.3 0.9 0.9 volume=0.287 peak=1137 ppm1=2.321 ppm2=4.437 assign ( resid 125 and name HB2) ( resid 126 and name H) 4.5 0.9 0.9 volume=0.236 peak=1075 ppm1=2.339 ppm2=8.535 assign ( resid 47 and name HA) ( resid 47 and name HB) 4.0 0.8 0.8 volume=0.423 peak=1576 ppm1=4.035 ppm2=1.953 assign ( resid 4 and name HB2) ( resid 4 and name HG2) 2.8 0.6 0.6 volume=3.917 peak=2936 ppm1=2.057 ppm2=2.211 assign ( resid 43 and name HA2) ( resid 43 and name H) 4.6 0.9 0.9 volume=0.205 peak=1506 ppm1=3.627 ppm2=9.201 assign ( resid 116 and name HD2*) ( resid 116 and name HA) 4.0 0.8 0.8 volume=0.423 peak=3255 ppm1=0.617 ppm2=3.575 assign ( resid 35 and name HE2) ( resid 35 and name HD2) 3.3 0.7 0.7 volume=1.478 peak=2123 ppm1=2.899 ppm2=1.614 assign ( resid 114 and name HG3) ( resid 114 and name HD3) 2.9 0.6 0.6 volume=2.858 peak=2187 ppm1=1.319 ppm2=1.712 assign ( resid 106 and name HA) ( resid 106 and name HG13) 4.0 0.8 0.8 volume=0.479 peak=346 ppm1=3.813 ppm2=0.876 assign ( resid 105 and name HB2) ( resid 102 and name HB3) 4.8 1.0 1.0 volume=0.147 peak=2269 ppm1=2.939 ppm2=3.790 assign ( resid 115 and name HA) ( resid 115 and name HB3) 2.8 0.6 0.6 volume=3.556 peak=3423 ppm1=3.952 ppm2=2.003 assign ( resid 15 and name HA) ( resid 16 and name H) 3.4 0.7 0.7 volume=1.112 peak=990 ppm1=3.387 ppm2=8.069 assign ( resid 47 and name HG1*) ( resid 123 and name H) 4.1 0.8 0.8 volume=0.395 peak=2041 ppm1=0.721 ppm2=9.546 assign ( resid 67 and name HB2) ( resid 66 and name HA) 3.7 0.7 0.7 volume=0.685 peak=2976 ppm1=1.697 ppm2=4.900 assign ( resid 115 and name HG2) ( resid 116 and name H) 4.3 0.9 0.9 volume=0.274 peak=374 ppm1=2.350 ppm2=8.672 assign ( resid 6 and name HB) ( resid 5 and name HB3) 4.6 0.9 0.9 volume=0.198 peak=1950 ppm1=4.195 ppm2=2.687 assign ( resid 109 and name HG2) ( resid 109 and name HB2) 4.3 0.9 0.9 volume=0.290 peak=1594 ppm1=-0.094 ppm2=2.015 assign ( resid 27 and name HA) ( resid 27 and name H) 3.8 0.8 0.8 volume=0.640 peak=1116 ppm1=4.487 ppm2=7.634 assign ( resid 71 and name HB3) ( resid 71 and name HA) 3.4 0.7 0.7 volume=1.114 peak=3041 ppm1=1.764 ppm2=4.315 assign ( resid 52 and name HG3) ( resid 52 and name HA) 4.4 0.9 0.9 volume=0.253 peak=2107 ppm1=2.031 ppm2=4.933 assign ( resid 57 and name HE2) ( resid 57 and name HG3) 2.7 0.5 0.5 volume=4.327 peak=1291 ppm1=2.776 ppm2=1.145 assign ( resid 24 and name HE3) ( resid 24 and name HB2) 2.4 0.5 0.5 volume=9.061 peak=2907 ppm1=2.992 ppm2=1.689 assign ( resid 65 and name HB2) ( resid 65 and name HG2) 2.7 0.5 0.5 volume=4.503 peak=938 ppm1=1.863 ppm2=2.003 assign ( resid 52 and name HG2) ( resid 52 and name HA) 4.4 0.9 0.9 volume=0.250 peak=1841 ppm1=2.353 ppm2=4.933 assign ( resid 93 and name HA3) ( resid 94 and name H) 4.1 0.8 0.8 volume=0.414 peak=1121 ppm1=4.496 ppm2=8.619 assign ( resid 47 and name HA) ( resid 46 and name HB2) 4.8 1.0 1.0 volume=0.158 peak=1705 ppm1=4.032 ppm2=2.781 assign ( resid 120 and name HB) ( resid 120 and name H) 3.4 0.7 0.7 volume=1.295 peak=1510 ppm1=1.452 ppm2=7.295 assign ( resid 5 and name HB3) ( resid 7 and name H) 4.3 0.9 0.9 volume=0.282 peak=3061 ppm1=2.683 ppm2=8.659 assign ( resid 35 and name HE2) ( resid 35 and name HG2) 3.5 0.7 0.7 volume=1.032 peak=2051 ppm1=2.899 ppm2=1.146 assign ( resid 48 and name HB3) ( resid 48 and name HB2) 3.9 0.8 0.8 volume=0.527 peak=955 ppm1=3.523 ppm2=2.782 assign ( resid 128 and name HG2*) ( resid 129 and name H) 3.6 0.7 0.7 volume=0.847 peak=3531 ppm1=0.836 ppm2=8.850 assign ( resid 90 and name HD2) ( resid 90 and name HB2) 3.5 0.7 0.7 volume=0.983 peak=2333 ppm1=4.110 ppm2=2.003 assign ( resid 84 and name HB2) ( resid 73 and name HE3) 4.6 0.9 0.9 volume=0.199 peak=2641 ppm1=3.708 ppm2=7.626 assign ( resid 46 and name HB2) ( resid 47 and name H) 4.7 0.9 0.9 volume=0.178 peak=2201 ppm1=2.775 ppm2=8.267 assign ( resid 101 and name HA2) ( resid 100 and name HA) 5.3 1.1 1.1 volume=0.088 peak=815 ppm1=4.331 ppm2=4.790 assign ( resid 60 and name HA) ( resid 60 and name HD21) 3.6 0.7 0.7 volume=0.841 peak=2432 ppm1=4.920 ppm2=6.955 assign ( resid 12 and name HG) ( resid 12 and name HB3) 4.1 0.8 0.8 volume=0.366 peak=2685 ppm1=1.456 ppm2=0.958 assign ( resid 88 and name HB2) ( resid 88 and name HE3) 4.7 0.9 0.9 volume=0.174 peak=114 ppm1=3.478 ppm2=8.002 assign ( resid 46 and name HB3) ( resid 46 and name HD*) 4.0 0.8 0.8 volume=0.449 peak=3110 ppm1=2.430 ppm2=6.931 assign ( resid 17 and name HE*) ( resid 17 and name HA) 4.3 0.9 0.9 volume=0.303 peak=1316 ppm1=1.481 ppm2=5.616 assign ( resid 125 and name HG2) ( resid 125 and name HD2) 3.5 0.7 0.7 volume=0.943 peak=3142 ppm1=2.358 ppm2=4.465 assign ( resid 70 and name HG2*) ( resid 84 and name HB3) 3.8 0.8 0.8 volume=0.608 peak=861 ppm1=0.515 ppm2=3.940 assign ( resid 26 and name HA) ( resid 27 and name HB3) 4.8 1.0 1.0 volume=0.143 peak=2675 ppm1=4.448 ppm2=1.787 assign ( resid 122 and name HB2) ( resid 122 and name HG2) 3.5 0.7 0.7 volume=1.015 peak=352 ppm1=1.692 ppm2=1.062 assign ( resid 120 and name HG1*) ( resid 119 and name HA) 4.2 0.8 0.8 volume=0.360 peak=1286 ppm1=0.164 ppm2=4.451 assign ( resid 51 and name HB2) ( resid 73 and name HE1) 4.9 1.0 1.0 volume=0.126 peak=2502 ppm1=2.191 ppm2=10.093 assign ( resid 119 and name HG2) ( resid 119 and name HE*) 3.2 0.6 0.6 volume=1.657 peak=1076 ppm1=2.561 ppm2=2.076 assign ( resid 44 and name HA) ( resid 45 and name HB2) 5.2 1.0 1.0 volume=0.097 peak=1861 ppm1=4.470 ppm2=3.982 assign ( resid 57 and name HB2) ( resid 57 and name HE2) 4.4 0.9 0.9 volume=0.249 peak=2966 ppm1=1.456 ppm2=2.776 assign ( resid 11 and name HB3) ( resid 11 and name HA) 4.1 0.8 0.8 volume=0.388 peak=402 ppm1=3.129 ppm2=4.264 assign ( resid 119 and name HE*) ( resid 19 and name HD*) 3.9 0.8 0.8 volume=0.549 peak=1675 ppm1=2.081 ppm2=6.853 assign ( resid 40 and name HB) ( resid 40 and name H) 3.9 0.8 0.8 volume=0.511 peak=495 ppm1=3.703 ppm2=8.707 assign ( resid 28 and name HB2) ( resid 28 and name HG2) 3.1 0.6 0.6 volume=2.108 peak=1210 ppm1=1.930 ppm2=2.027 assign ( resid 127 and name HB2) ( resid 127 and name HA) 3.6 0.7 0.7 volume=0.874 peak=2025 ppm1=1.878 ppm2=5.067 assign ( resid 62 and name HA) ( resid 61 and name HA) 3.7 0.7 0.7 volume=0.756 peak=1164 ppm1=4.529 ppm2=4.393 assign ( resid 124 and name HG2*) ( resid 8 and name H) 3.6 0.7 0.7 volume=0.796 peak=3034 ppm1=1.568 ppm2=9.230 assign ( resid 98 and name HA) ( resid 99 and name H) 4.9 1.0 1.0 volume=0.138 peak=2835 ppm1=3.084 ppm2=7.393 assign ( resid 108 and name HG2*) ( resid 108 and name HB) 3.3 0.7 0.7 volume=1.371 peak=1644 ppm1=0.781 ppm2=3.416 assign ( resid 115 and name HA) ( resid 116 and name HB3) 3.8 0.8 0.8 volume=0.572 peak=378 ppm1=3.953 ppm2=1.769 assign ( resid 19 and name HB3) ( resid 19 and name HD*) 4.4 0.9 0.9 volume=0.257 peak=133 ppm1=2.733 ppm2=6.864 assign ( resid 58 and name HA3) ( resid 57 and name HB3) 4.8 1.0 1.0 volume=0.153 peak=733 ppm1=3.369 ppm2=1.663 assign ( resid 99 and name HA) ( resid 98 and name HA) 5.0 1.0 1.0 volume=0.111 peak=1952 ppm1=4.482 ppm2=3.084 assign ( resid 114 and name HB2) ( resid 113 and name HA) 4.3 0.9 0.9 volume=0.300 peak=1684 ppm1=1.744 ppm2=4.093 assign ( resid 20 and name HB2) ( resid 20 and name HE*) 4.1 0.8 0.8 volume=0.406 peak=1514 ppm1=2.016 ppm2=6.385 assign ( resid 124 and name HB) ( resid 125 and name HB3) 4.0 0.8 0.8 volume=0.419 peak=1770 ppm1=3.798 ppm2=1.934 assign ( resid 35 and name HE2) ( resid 35 and name HB3) 3.9 0.8 0.8 volume=0.534 peak=1171 ppm1=2.896 ppm2=1.453 assign ( resid 90 and name HB2) ( resid 90 and name HG3) 2.6 0.5 0.5 volume=5.931 peak=361 ppm1=2.003 ppm2=2.077 assign ( resid 103 and name HB2) ( resid 34 and name HA3) 3.5 0.7 0.7 volume=1.012 peak=1187 ppm1=3.688 ppm2=3.726 assign ( resid 120 and name HG1*) ( resid 120 and name HA) 3.2 0.6 0.6 volume=1.873 peak=2459 ppm1=0.167 ppm2=3.658 assign ( resid 105 and name HB2) ( resid 81 and name HG2*) 4.6 0.9 0.9 volume=0.191 peak=171 ppm1=2.940 ppm2=0.647 assign ( resid 35 and name HG2) ( resid 35 and name HE3) 4.1 0.8 0.8 volume=0.377 peak=1261 ppm1=1.145 ppm2=2.836 assign ( resid 87 and name HB3) ( resid 88 and name H) 4.3 0.9 0.9 volume=0.298 peak=1128 ppm1=2.729 ppm2=6.992 assign ( resid 41 and name HD2) ( resid 41 and name HB2) 3.4 0.7 0.7 volume=1.122 peak=1531 ppm1=3.619 ppm2=2.035 assign ( resid 40 and name HG2*) ( resid 106 and name HD1*) 2.8 0.6 0.6 volume=3.935 peak=1537 ppm1=1.192 ppm2=0.630 assign ( resid 111 and name HA) ( resid 111 and name HB3) 2.9 0.6 0.6 volume=3.421 peak=1080 ppm1=3.889 ppm2=4.109 assign ( resid 25 and name HG2*) ( resid 20 and name HA) 3.6 0.7 0.7 volume=0.801 peak=667 ppm1=0.682 ppm2=4.451 assign ( resid 125 and name HB2) ( resid 125 and name HG2) 2.9 0.6 0.6 volume=2.834 peak=717 ppm1=2.338 ppm2=2.358 assign ( resid 97 and name HA) ( resid 98 and name HA) 3.9 0.8 0.8 volume=0.556 peak=424 ppm1=3.739 ppm2=3.084 assign ( resid 36 and name HB3) ( resid 37 and name H) 4.3 0.9 0.9 volume=0.275 peak=2812 ppm1=2.008 ppm2=7.306 assign ( resid 27 and name HA) ( resid 28 and name HA) 3.9 0.8 0.8 volume=0.564 peak=1886 ppm1=4.488 ppm2=4.980 assign ( resid 17 and name HB3) ( resid 17 and name HG3) 4.1 0.8 0.8 volume=0.360 peak=3014 ppm1=1.477 ppm2=1.791 assign ( resid 17 and name HE*) ( resid 18 and name H) 4.7 0.9 0.9 volume=0.162 peak=786 ppm1=1.484 ppm2=9.630 assign ( resid 57 and name HG3) ( resid 57 and name HE2) 3.4 0.7 0.7 volume=1.161 peak=2948 ppm1=1.153 ppm2=2.776 assign ( resid 89 and name HA) ( resid 90 and name HD2) 3.4 0.7 0.7 volume=1.188 peak=1312 ppm1=5.208 ppm2=4.087 assign ( resid 15 and name HB3) ( resid 15 and name HG3) 4.8 1.0 1.0 volume=0.150 peak=3269 ppm1=2.533 ppm2=2.935 assign ( resid 121 and name HA) ( resid 121 and name HB2) 3.3 0.7 0.7 volume=1.436 peak=1739 ppm1=4.413 ppm2=1.734 assign ( resid 110 and name HG2) ( resid 110 and name HD3) 3.7 0.7 0.7 volume=0.702 peak=3464 ppm1=2.368 ppm2=3.853 assign ( resid 56 and name HG) ( resid 56 and name HA) 4.3 0.9 0.9 volume=0.291 peak=2985 ppm1=0.982 ppm2=4.017 assign ( resid 110 and name HD2) ( resid 110 and name HA) 3.5 0.7 0.7 volume=1.052 peak=1811 ppm1=3.926 ppm2=3.981 assign ( resid 91 and name HG2) ( resid 91 and name HB3) 2.6 0.5 0.5 volume=6.097 peak=3136 ppm1=2.223 ppm2=1.962 assign ( resid 3 and name HB3) ( resid 3 and name HG2) 2.9 0.6 0.6 volume=3.158 peak=1545 ppm1=1.912 ppm2=2.349 assign ( resid 29 and name HB) ( resid 29 and name HG1) 4.0 0.8 0.8 volume=0.422 peak=1785 ppm1=3.968 ppm2=5.507 assign ( resid 81 and name HA) ( resid 80 and name HA2) 4.5 0.9 0.9 volume=0.229 peak=1800 ppm1=4.291 ppm2=4.675 assign ( resid 59 and name HG2*) ( resid 59 and name H) 3.7 0.7 0.7 volume=0.676 peak=3016 ppm1=1.138 ppm2=8.484 assign ( resid 56 and name HD1*) ( resid 56 and name HB2) 3.5 0.7 0.7 volume=1.027 peak=736 ppm1=-0.684 ppm2=1.392 assign ( resid 31 and name HG13) ( resid 31 and name HD1*) 2.9 0.6 0.6 volume=3.074 peak=860 ppm1=0.494 ppm2=0.448 assign ( resid 123 and name HA2) ( resid 123 and name H) 4.2 0.8 0.8 volume=0.332 peak=2398 ppm1=4.329 ppm2=9.557 assign ( resid 92 and name HB3) ( resid 92 and name H) 4.5 0.9 0.9 volume=0.231 peak=1816 ppm1=2.321 ppm2=8.622 assign ( resid 32 and name HG2*) ( resid 32 and name H) 4.4 0.9 0.9 volume=0.260 peak=988 ppm1=1.111 ppm2=8.267 assign ( resid 119 and name HE*) ( resid 119 and name H) 3.7 0.7 0.7 volume=0.750 peak=1251 ppm1=2.078 ppm2=7.336 assign ( resid 24 and name HG3) ( resid 24 and name HE3) 3.8 0.8 0.8 volume=0.623 peak=1639 ppm1=1.380 ppm2=2.992 assign ( resid 58 and name HA3) ( resid 66 and name HE*) 4.2 0.8 0.8 volume=0.345 peak=172 ppm1=3.370 ppm2=5.998 assign ( resid 122 and name HB2) ( resid 122 and name HA) 3.5 0.7 0.7 volume=0.970 peak=2726 ppm1=1.692 ppm2=3.688 assign ( resid 124 and name HG2*) ( resid 7 and name HA) 3.3 0.7 0.7 volume=1.389 peak=390 ppm1=1.568 ppm2=5.082 assign ( resid 98 and name HB2) ( resid 98 and name HD3) 3.4 0.7 0.7 volume=1.218 peak=291 ppm1=1.412 ppm2=1.287 assign ( resid 5 and name HB3) ( resid 4 and name HA) 3.8 0.8 0.8 volume=0.619 peak=656 ppm1=2.684 ppm2=4.306 assign ( resid 75 and name HG2) ( resid 75 and name HD3) 4.8 1.0 1.0 volume=0.150 peak=1633 ppm1=0.235 ppm2=1.009 assign ( resid 24 and name HG2) ( resid 24 and name HA) 3.3 0.7 0.7 volume=1.464 peak=2953 ppm1=1.408 ppm2=4.763 assign ( resid 96 and name HB3) ( resid 97 and name H) 5.2 1.0 1.0 volume=0.097 peak=233 ppm1=1.130 ppm2=9.595 assign ( resid 36 and name HD3) ( resid 36 and name HB2) 4.9 1.0 1.0 volume=0.133 peak=273 ppm1=3.712 ppm2=2.519 assign ( resid 119 and name HE*) ( resid 116 and name HD1*) 3.5 0.7 0.7 volume=1.007 peak=1460 ppm1=2.078 ppm2=0.380 assign ( resid 8 and name HB) ( resid 8 and name HA) 4.4 0.9 0.9 volume=0.265 peak=117 ppm1=1.894 ppm2=5.331 assign ( resid 42 and name HB*) ( resid 129 and name HB2) 4.1 0.8 0.8 volume=0.383 peak=1511 ppm1=1.423 ppm2=2.986 assign ( resid 7 and name HB2) ( resid 7 and name HD*) 4.3 0.9 0.9 volume=0.298 peak=476 ppm1=3.523 ppm2=6.643 assign ( resid 121 and name HG3) ( resid 121 and name HB2) 2.9 0.6 0.6 volume=2.846 peak=1949 ppm1=2.251 ppm2=1.734 assign ( resid 27 and name HB3) ( resid 28 and name HA) 5.2 1.0 1.0 volume=0.091 peak=1449 ppm1=1.787 ppm2=4.983 assign ( resid 111 and name HB3) ( resid 112 and name HB) 3.6 0.7 0.7 volume=0.809 peak=3382 ppm1=4.115 ppm2=1.745 assign ( resid 113 and name HG2) ( resid 113 and name HB2) 3.2 0.6 0.6 volume=1.801 peak=1489 ppm1=2.151 ppm2=2.159 assign ( resid 56 and name HA) ( resid 56 and name HB2) 3.6 0.7 0.7 volume=0.885 peak=1130 ppm1=4.018 ppm2=1.408 assign ( resid 83 and name HD1*) ( resid 83 and name HG12) 2.8 0.6 0.6 volume=3.942 peak=2450 ppm1=0.656 ppm2=1.446 assign ( resid 106 and name HB) ( resid 106 and name HA) 5.0 1.0 1.0 volume=0.120 peak=1940 ppm1=1.721 ppm2=3.809 assign ( resid 19 and name HA) ( resid 19 and name HB2) 4.0 0.8 0.8 volume=0.458 peak=2906 ppm1=5.374 ppm2=2.580 assign ( resid 68 and name HB3) ( resid 68 and name H) 3.8 0.8 0.8 volume=0.565 peak=1798 ppm1=3.383 ppm2=9.243 assign ( resid 65 and name HG2) ( resid 66 and name H) 4.0 0.8 0.8 volume=0.421 peak=3154 ppm1=2.004 ppm2=8.097 assign ( resid 127 and name HD1*) ( resid 127 and name H) 4.0 0.8 0.8 volume=0.452 peak=834 ppm1=0.831 ppm2=9.577 assign ( resid 10 and name HA) ( resid 10 and name HG1*) 3.3 0.7 0.7 volume=1.457 peak=872 ppm1=4.530 ppm2=0.621 assign ( resid 63 and name HA3) ( resid 64 and name HA) 4.8 1.0 1.0 volume=0.158 peak=1256 ppm1=4.366 ppm2=4.567 assign ( resid 27 and name HB3) ( resid 28 and name H) 3.9 0.8 0.8 volume=0.507 peak=552 ppm1=1.790 ppm2=8.458 assign ( resid 27 and name HD1*) ( resid 115 and name H) 4.4 0.9 0.9 volume=0.243 peak=2077 ppm1=0.639 ppm2=6.762 assign ( resid 10 and name HB) ( resid 10 and name HG1*) 3.3 0.7 0.7 volume=1.548 peak=3130 ppm1=2.140 ppm2=0.621 assign ( resid 87 and name HA) ( resid 89 and name H) 4.4 0.9 0.9 volume=0.259 peak=2989 ppm1=4.206 ppm2=7.131 assign ( resid 65 and name HG3) ( resid 64 and name HA) 3.6 0.7 0.7 volume=0.903 peak=2313 ppm1=2.019 ppm2=4.567 assign ( resid 66 and name HB3) ( resid 67 and name H) 3.8 0.8 0.8 volume=0.644 peak=3022 ppm1=2.567 ppm2=8.198 assign ( resid 48 and name HB3) ( resid 48 and name HA) 4.1 0.8 0.8 volume=0.410 peak=999 ppm1=3.515 ppm2=4.905 assign ( resid 58 and name HA2) ( resid 57 and name HB3) 4.7 0.9 0.9 volume=0.167 peak=2377 ppm1=3.909 ppm2=1.663 assign ( resid 65 and name HG2) ( resid 65 and name HB2) 2.6 0.5 0.5 volume=5.426 peak=1601 ppm1=2.003 ppm2=1.863 assign ( resid 21 and name HA) ( resid 22 and name HA) 3.9 0.8 0.8 volume=0.513 peak=2639 ppm1=4.548 ppm2=4.196 assign ( resid 83 and name HG2*) ( resid 83 and name H) 4.0 0.8 0.8 volume=0.472 peak=2653 ppm1=0.739 ppm2=8.280 assign ( resid 10 and name HB) ( resid 11 and name H) 4.6 0.9 0.9 volume=0.186 peak=1096 ppm1=2.140 ppm2=8.608 assign ( resid 106 and name HD1*) ( resid 106 and name H) 3.7 0.7 0.7 volume=0.745 peak=2632 ppm1=0.625 ppm2=8.705 assign ( resid 70 and name HG2*) ( resid 56 and name HD1*) 3.5 0.7 0.7 volume=1.020 peak=1655 ppm1=0.513 ppm2=-0.695 assign ( resid 32 and name HB) ( resid 32 and name HG1*) 3.6 0.7 0.7 volume=0.800 peak=1847 ppm1=1.892 ppm2=1.006 assign ( resid 125 and name HA) ( resid 125 and name HG3) 4.0 0.8 0.8 volume=0.482 peak=1462 ppm1=4.491 ppm2=2.164 assign ( resid 31 and name HD1*) ( resid 31 and name HA) 3.9 0.8 0.8 volume=0.494 peak=2434 ppm1=0.447 ppm2=5.093 assign ( resid 125 and name HG3) ( resid 125 and name HA) 3.7 0.7 0.7 volume=0.738 peak=296 ppm1=2.164 ppm2=4.491 assign ( resid 113 and name HB3) ( resid 114 and name H) 4.7 0.9 0.9 volume=0.177 peak=3104 ppm1=1.379 ppm2=7.511 assign ( resid 41 and name HD3) ( resid 40 and name HA) 3.6 0.7 0.7 volume=0.847 peak=904 ppm1=3.788 ppm2=4.466 assign ( resid 90 and name HA) ( resid 89 and name HA) 5.1 1.0 1.0 volume=0.102 peak=572 ppm1=4.493 ppm2=5.206 assign ( resid 98 and name HG3) ( resid 98 and name HG2) 4.1 0.8 0.8 volume=0.365 peak=1921 ppm1=-0.328 ppm2=-0.176 assign ( resid 69 and name HD3) ( resid 69 and name HA) 3.3 0.7 0.7 volume=1.551 peak=2181 ppm1=3.593 ppm2=4.835 assign ( resid 84 and name HA) ( resid 84 and name H) 4.5 0.9 0.9 volume=0.220 peak=2763 ppm1=5.653 ppm2=8.058 assign ( resid 108 and name HB) ( resid 84 and name H) 4.1 0.8 0.8 volume=0.361 peak=1666 ppm1=3.415 ppm2=8.068 assign ( resid 61 and name HB2) ( resid 62 and name H) 4.1 0.8 0.8 volume=0.386 peak=2868 ppm1=2.689 ppm2=7.730 assign ( resid 28 and name HG3) ( resid 28 and name HA) 3.8 0.8 0.8 volume=0.566 peak=3369 ppm1=1.933 ppm2=4.983 assign ( resid 117 and name HA) ( resid 117 and name H) 3.7 0.7 0.7 volume=0.672 peak=1146 ppm1=3.782 ppm2=8.864 assign ( resid 96 and name HG) ( resid 96 and name HD2*) 3.1 0.6 0.6 volume=1.960 peak=1593 ppm1=1.730 ppm2=0.719 assign ( resid 114 and name HG3) ( resid 114 and name HB3) 3.1 0.6 0.6 volume=2.132 peak=3243 ppm1=1.319 ppm2=1.770 assign ( resid 60 and name HB3) ( resid 60 and name H) 3.7 0.7 0.7 volume=0.673 peak=1516 ppm1=3.041 ppm2=9.421 assign ( resid 122 and name HA) ( resid 122 and name HD3) 4.1 0.8 0.8 volume=0.383 peak=818 ppm1=3.688 ppm2=1.808 assign ( resid 113 and name HG2) ( resid 113 and name H) 4.7 0.9 0.9 volume=0.172 peak=1743 ppm1=2.153 ppm2=8.602 assign ( resid 116 and name HD1*) ( resid 116 and name HB2) 3.2 0.6 0.6 volume=1.659 peak=2476 ppm1=0.379 ppm2=1.228 assign ( resid 51 and name HG3) ( resid 51 and name HA) 3.4 0.7 0.7 volume=1.151 peak=2218 ppm1=2.235 ppm2=4.944 assign ( resid 48 and name HA) ( resid 47 and name H) 3.8 0.8 0.8 volume=0.659 peak=762 ppm1=4.905 ppm2=8.280 assign ( resid 119 and name HG2) ( resid 119 and name H) 3.6 0.7 0.7 volume=0.782 peak=2886 ppm1=2.561 ppm2=7.349 assign ( resid 18 and name HB2) ( resid 18 and name HD1) 5.0 1.0 1.0 volume=0.119 peak=2485 ppm1=2.672 ppm2=6.962 assign ( resid 38 and name HA) ( resid 38 and name HG2*) 3.1 0.6 0.6 volume=1.910 peak=3001 ppm1=4.584 ppm2=1.169 assign ( resid 110 and name HD3) ( resid 110 and name HB3) 4.6 0.9 0.9 volume=0.200 peak=688 ppm1=3.832 ppm2=2.648 assign ( resid 54 and name HA) ( resid 53 and name HB2) 4.8 1.0 1.0 volume=0.158 peak=441 ppm1=4.499 ppm2=2.765 assign ( resid 90 and name HB2) ( resid 90 and name HD2) 3.8 0.8 0.8 volume=0.567 peak=197 ppm1=2.003 ppm2=4.110 assign ( resid 70 and name HB) ( resid 70 and name HA) 3.6 0.7 0.7 volume=0.885 peak=2013 ppm1=2.682 ppm2=4.733 assign ( resid 122 and name HA) ( resid 123 and name HA2) 4.4 0.9 0.9 volume=0.238 peak=3388 ppm1=3.688 ppm2=4.329 assign ( resid 111 and name HB3) ( resid 112 and name HG1*) 4.2 0.8 0.8 volume=0.329 peak=2997 ppm1=4.114 ppm2=0.863 assign ( resid 21 and name HD2) ( resid 21 and name HG2) 3.0 0.6 0.6 volume=2.518 peak=3399 ppm1=1.606 ppm2=1.215 assign ( resid 21 and name HG2) ( resid 21 and name HD3) 3.5 0.7 0.7 volume=1.087 peak=2682 ppm1=1.214 ppm2=1.758 assign ( resid 81 and name HG2*) ( resid 82 and name H) 3.6 0.7 0.7 volume=0.877 peak=2125 ppm1=0.659 ppm2=7.708 assign ( resid 105 and name HB2) ( resid 105 and name H) 4.8 1.0 1.0 volume=0.148 peak=3510 ppm1=2.933 ppm2=9.114 assign ( resid 73 and name HB3) ( resid 73 and name HB2) 4.0 0.8 0.8 volume=0.476 peak=3192 ppm1=2.816 ppm2=3.034 assign ( resid 63 and name HA3) ( resid 62 and name HB3) 4.6 0.9 0.9 volume=0.186 peak=2984 ppm1=4.366 ppm2=2.626 assign ( resid 55 and name HA) ( resid 55 and name H) 4.2 0.8 0.8 volume=0.339 peak=564 ppm1=4.350 ppm2=8.417 assign ( resid 57 and name HE3) ( resid 57 and name HD3) 2.7 0.5 0.5 volume=4.854 peak=3021 ppm1=2.783 ppm2=1.518 assign ( resid 121 and name HA) ( resid 121 and name H) 4.1 0.8 0.8 volume=0.401 peak=42 ppm1=4.411 ppm2=8.116 assign ( resid 21 and name HB3) ( resid 21 and name HD3) 4.2 0.8 0.8 volume=0.320 peak=2865 ppm1=1.105 ppm2=1.758 assign ( resid 77 and name HB2) ( resid 77 and name HA) 4.2 0.8 0.8 volume=0.344 peak=2088 ppm1=3.201 ppm2=4.686 assign ( resid 106 and name HD1*) ( resid 106 and name HA) 3.8 0.8 0.8 volume=0.601 peak=459 ppm1=0.623 ppm2=3.809 assign ( resid 49 and name HA) ( resid 49 and name HD21) 4.4 0.9 0.9 volume=0.264 peak=1403 ppm1=4.640 ppm2=7.229 assign ( resid 21 and name HE3) ( resid 21 and name HB2) 3.2 0.6 0.6 volume=1.877 peak=2096 ppm1=3.015 ppm2=1.520 assign ( resid 17 and name HE*) ( resid 29 and name H) 4.1 0.8 0.8 volume=0.417 peak=414 ppm1=1.482 ppm2=8.037 assign ( resid 122 and name HB3) ( resid 123 and name H) 4.0 0.8 0.8 volume=0.428 peak=3408 ppm1=1.698 ppm2=9.557 assign ( resid 27 and name HB2) ( resid 27 and name H) 4.0 0.8 0.8 volume=0.420 peak=2980 ppm1=1.386 ppm2=7.634 assign ( resid 74 and name HA) ( resid 73 and name HA) 4.6 0.9 0.9 volume=0.200 peak=641 ppm1=4.914 ppm2=5.752 assign ( resid 60 and name HA) ( resid 60 and name HD22) 3.7 0.7 0.7 volume=0.730 peak=551 ppm1=4.920 ppm2=7.593 assign ( resid 45 and name HB2) ( resid 45 and name H) 4.9 1.0 1.0 volume=0.136 peak=1325 ppm1=3.982 ppm2=9.265 assign ( resid 84 and name HA) ( resid 85 and name HB3) 4.7 0.9 0.9 volume=0.175 peak=785 ppm1=5.653 ppm2=2.372 assign ( resid 128 and name HG2*) ( resid 128 and name HB) 3.3 0.7 0.7 volume=1.412 peak=1224 ppm1=0.836 ppm2=2.468 assign ( resid 124 and name HG2*) ( resid 125 and name HG2) 3.9 0.8 0.8 volume=0.524 peak=3174 ppm1=1.568 ppm2=2.354 assign ( resid 17 and name HG2) ( resid 18 and name H) 4.1 0.8 0.8 volume=0.404 peak=54 ppm1=2.260 ppm2=9.624 assign ( resid 27 and name HB3) ( resid 27 and name HB2) 2.9 0.6 0.6 volume=2.943 peak=2559 ppm1=1.788 ppm2=1.385 assign ( resid 65 and name HA) ( resid 65 and name HB3) 3.3 0.7 0.7 volume=1.329 peak=1283 ppm1=4.979 ppm2=2.238 assign ( resid 70 and name HG2*) ( resid 70 and name HG1*) 2.8 0.6 0.6 volume=3.631 peak=2613 ppm1=0.514 ppm2=0.758 assign ( resid 65 and name HG3) ( resid 66 and name H) 4.1 0.8 0.8 volume=0.415 peak=2162 ppm1=2.019 ppm2=8.098 assign ( resid 28 and name HA) ( resid 28 and name HG3) 3.2 0.6 0.6 volume=1.881 peak=1089 ppm1=4.983 ppm2=1.933 assign ( resid 119 and name HA) ( resid 119 and name HG3) 3.3 0.7 0.7 volume=1.388 peak=2674 ppm1=4.458 ppm2=2.711 assign ( resid 81 and name HA) ( resid 81 and name HG1*) 3.6 0.7 0.7 volume=0.881 peak=1704 ppm1=4.291 ppm2=0.781 assign ( resid 127 and name HD1*) ( resid 127 and name HB3) 2.9 0.6 0.6 volume=3.262 peak=2695 ppm1=0.832 ppm2=1.851 assign ( resid 91 and name HG2) ( resid 91 and name H) 3.8 0.8 0.8 volume=0.602 peak=2810 ppm1=2.223 ppm2=7.019 assign ( resid 81 and name HB) ( resid 81 and name HG2*) 2.9 0.6 0.6 volume=3.029 peak=870 ppm1=1.757 ppm2=0.648 assign ( resid 21 and name HB3) ( resid 21 and name HG2) 3.0 0.6 0.6 volume=2.394 peak=1431 ppm1=1.105 ppm2=1.215 assign ( resid 64 and name HB) ( resid 63 and name HA3) 2.8 0.6 0.6 volume=4.126 peak=1492 ppm1=4.335 ppm2=4.366 assign ( resid 36 and name HB3) ( resid 36 and name HA) 3.4 0.7 0.7 volume=1.115 peak=3383 ppm1=2.008 ppm2=4.401 assign ( resid 83 and name HA) ( resid 83 and name HG2*) 3.3 0.7 0.7 volume=1.398 peak=1123 ppm1=4.646 ppm2=0.726 assign ( resid 12 and name HA) ( resid 12 and name HG) 4.1 0.8 0.8 volume=0.377 peak=2045 ppm1=3.700 ppm2=1.456 assign ( resid 31 and name HB) ( resid 31 and name HG12) 3.9 0.8 0.8 volume=0.503 peak=1691 ppm1=1.871 ppm2=0.800 assign ( resid 122 and name HD3) ( resid 122 and name H) 4.6 0.9 0.9 volume=0.189 peak=2952 ppm1=1.807 ppm2=9.209 assign ( resid 57 and name HA) ( resid 57 and name HD2) 3.6 0.7 0.7 volume=0.869 peak=3093 ppm1=4.624 ppm2=1.495 assign ( resid 2 and name HB3) ( resid 2 and name HD2) 4.4 0.9 0.9 volume=0.271 peak=1354 ppm1=3.059 ppm2=7.085 assign ( resid 122 and name HG3) ( resid 122 and name H) 3.9 0.8 0.8 volume=0.499 peak=3073 ppm1=1.379 ppm2=9.207 assign ( resid 96 and name HG) ( resid 96 and name HD1*) 3.2 0.6 0.6 volume=1.604 peak=3278 ppm1=1.729 ppm2=0.623 assign ( resid 53 and name HA) ( resid 54 and name H) 3.3 0.7 0.7 volume=1.318 peak=48 ppm1=4.390 ppm2=7.106 assign ( resid 83 and name HB) ( resid 83 and name HD1*) 3.1 0.6 0.6 volume=1.922 peak=592 ppm1=1.465 ppm2=0.669 assign ( resid 3 and name HA) ( resid 3 and name HE*) 3.1 0.6 0.6 volume=2.209 peak=1212 ppm1=4.347 ppm2=1.931 assign ( resid 121 and name HB3) ( resid 122 and name HA) 4.2 0.8 0.8 volume=0.332 peak=943 ppm1=2.073 ppm2=3.682 assign ( resid 95 and name HB3) ( resid 98 and name HB3) 4.5 0.9 0.9 volume=0.231 peak=812 ppm1=2.725 ppm2=1.432 assign ( resid 44 and name HG1*) ( resid 44 and name HA) 3.0 0.6 0.6 volume=2.495 peak=1466 ppm1=0.798 ppm2=4.476 assign ( resid 99 and name HB) ( resid 100 and name HA) 3.3 0.7 0.7 volume=1.554 peak=3218 ppm1=4.159 ppm2=4.801 assign ( resid 30 and name HB2) ( resid 29 and name HA) 4.3 0.9 0.9 volume=0.310 peak=2471 ppm1=2.580 ppm2=4.344 assign ( resid 17 and name HE*) ( resid 17 and name HB2) 3.2 0.6 0.6 volume=1.812 peak=2576 ppm1=1.481 ppm2=1.654 assign ( resid 32 and name HG2*) ( resid 32 and name HB) 3.4 0.7 0.7 volume=1.132 peak=2795 ppm1=1.111 ppm2=1.892 assign ( resid 86 and name HA) ( resid 87 and name HB3) 4.6 0.9 0.9 volume=0.207 peak=3334 ppm1=3.626 ppm2=2.728 assign ( resid 119 and name HG3) ( resid 119 and name HB3) 3.5 0.7 0.7 volume=0.952 peak=937 ppm1=2.711 ppm2=1.987 assign ( resid 37 and name HA) ( resid 37 and name H) 3.7 0.7 0.7 volume=0.668 peak=102 ppm1=4.267 ppm2=7.316 assign ( resid 83 and name HG2*) ( resid 106 and name H) 4.7 0.9 0.9 volume=0.178 peak=2310 ppm1=0.742 ppm2=8.705 assign ( resid 75 and name HD3) ( resid 75 and name HB2) 4.1 0.8 0.8 volume=0.362 peak=184 ppm1=1.003 ppm2=1.570 assign ( resid 36 and name HB2) ( resid 35 and name HA) 4.9 1.0 1.0 volume=0.134 peak=144 ppm1=2.516 ppm2=5.116 assign ( resid 99 and name HG2*) ( resid 99 and name HA) 2.8 0.6 0.6 volume=3.792 peak=2177 ppm1=1.081 ppm2=4.465 assign ( resid 114 and name HA) ( resid 114 and name HE3) 4.8 1.0 1.0 volume=0.159 peak=3358 ppm1=2.797 ppm2=3.015 assign ( resid 10 and name HA) ( resid 11 and name HB2) 5.6 1.1 1.1 volume=0.062 peak=650 ppm1=4.530 ppm2=2.854 assign ( resid 109 and name HG3) ( resid 29 and name HG1) 4.7 0.9 0.9 volume=0.164 peak=2441 ppm1=1.381 ppm2=5.505 assign ( resid 21 and name HA) ( resid 21 and name HG2) 3.4 0.7 0.7 volume=1.248 peak=465 ppm1=4.545 ppm2=1.215 assign ( resid 35 and name HG2) ( resid 35 and name HB2) 4.3 0.9 0.9 volume=0.279 peak=2600 ppm1=1.145 ppm2=2.161 assign ( resid 69 and name HD2) ( resid 69 and name HB3) 3.3 0.7 0.7 volume=1.436 peak=370 ppm1=3.745 ppm2=1.872 assign ( resid 41 and name HA) ( resid 41 and name HB2) 3.2 0.6 0.6 volume=1.581 peak=2285 ppm1=4.305 ppm2=2.044 assign ( resid 105 and name HB3) ( resid 105 and name HA) 3.9 0.8 0.8 volume=0.524 peak=1250 ppm1=3.491 ppm2=4.680 assign ( resid 72 and name HA) ( resid 73 and name HB3) 4.1 0.8 0.8 volume=0.369 peak=505 ppm1=4.485 ppm2=2.815 assign ( resid 119 and name HE*) ( resid 116 and name H) 4.2 0.8 0.8 volume=0.339 peak=2494 ppm1=2.079 ppm2=8.669 assign ( resid 40 and name HA) ( resid 41 and name HG3) 3.9 0.8 0.8 volume=0.523 peak=1330 ppm1=4.466 ppm2=1.974 assign ( resid 98 and name HA) ( resid 98 and name HB3) 3.5 0.7 0.7 volume=1.006 peak=3122 ppm1=3.084 ppm2=1.436 assign ( resid 96 and name HB2) ( resid 96 and name HB3) 3.6 0.7 0.7 volume=0.848 peak=2693 ppm1=2.105 ppm2=1.121 assign ( resid 98 and name HB2) ( resid 99 and name H) 4.0 0.8 0.8 volume=0.417 peak=2031 ppm1=1.408 ppm2=7.393 assign ( resid 110 and name HD3) ( resid 109 and name HB2) 3.6 0.7 0.7 volume=0.834 peak=3390 ppm1=3.832 ppm2=2.015 assign ( resid 62 and name HB3) ( resid 61 and name HA) 4.2 0.8 0.8 volume=0.342 peak=2149 ppm1=2.626 ppm2=4.379 assign ( resid 122 and name HG2) ( resid 123 and name H) 4.4 0.9 0.9 volume=0.252 peak=3206 ppm1=1.062 ppm2=9.557 assign ( resid 124 and name HG2*) ( resid 7 and name HB2) 4.0 0.8 0.8 volume=0.468 peak=313 ppm1=1.569 ppm2=3.522 assign ( resid 17 and name HA) ( resid 16 and name HB3) 4.8 1.0 1.0 volume=0.157 peak=2205 ppm1=5.630 ppm2=2.482 assign ( resid 40 and name HA) ( resid 41 and name HB2) 3.9 0.8 0.8 volume=0.553 peak=2869 ppm1=4.469 ppm2=2.027 assign ( resid 3 and name HG2) ( resid 4 and name H) 4.6 0.9 0.9 volume=0.199 peak=3118 ppm1=2.341 ppm2=8.348 assign ( resid 113 and name HE*) ( resid 117 and name HE*) 4.5 0.9 0.9 volume=0.225 peak=2672 ppm1=2.088 ppm2=7.423 assign ( resid 114 and name HE2) ( resid 114 and name HG3) 3.1 0.6 0.6 volume=2.266 peak=1125 ppm1=2.987 ppm2=1.319 assign ( resid 81 and name HA) ( resid 81 and name HG2*) 3.5 0.7 0.7 volume=0.932 peak=122 ppm1=4.291 ppm2=0.659 assign ( resid 56 and name HB2) ( resid 56 and name H) 4.0 0.8 0.8 volume=0.469 peak=2698 ppm1=1.393 ppm2=8.147 assign ( resid 55 and name HB) ( resid 55 and name H) 3.3 0.7 0.7 volume=1.306 peak=2871 ppm1=3.730 ppm2=8.399 assign ( resid 100 and name HB2) ( resid 100 and name HG2) 3.0 0.6 0.6 volume=2.329 peak=3377 ppm1=2.298 ppm2=1.667 assign ( resid 81 and name HB) ( resid 81 and name H) 3.7 0.7 0.7 volume=0.704 peak=2176 ppm1=1.760 ppm2=8.693 assign ( resid 90 and name HD2) ( resid 90 and name HB3) 4.4 0.9 0.9 volume=0.265 peak=1525 ppm1=4.110 ppm2=2.305 assign ( resid 122 and name HG2) ( resid 122 and name HE3) 4.0 0.8 0.8 volume=0.438 peak=1842 ppm1=1.063 ppm2=3.111 assign ( resid 115 and name HA) ( resid 115 and name H) 3.4 0.7 0.7 volume=1.296 peak=3152 ppm1=3.952 ppm2=6.771 assign ( resid 95 and name HA) ( resid 94 and name HA2) 3.9 0.8 0.8 volume=0.541 peak=1457 ppm1=5.163 ppm2=3.864 assign ( resid 7 and name HB2) ( resid 7 and name HA) 4.1 0.8 0.8 volume=0.392 peak=681 ppm1=3.520 ppm2=5.104 assign ( resid 13 and name HA) ( resid 13 and name H) 3.4 0.7 0.7 volume=1.175 peak=9 ppm1=3.999 ppm2=9.097 assign ( resid 70 and name HG1*) ( resid 70 and name H) 3.6 0.7 0.7 volume=0.811 peak=530 ppm1=0.754 ppm2=8.632 assign ( resid 106 and name HG12) ( resid 106 and name H) 4.3 0.9 0.9 volume=0.279 peak=2647 ppm1=1.341 ppm2=8.712 assign ( resid 3 and name HB3) ( resid 3 and name H) 3.9 0.8 0.8 volume=0.509 peak=2805 ppm1=1.911 ppm2=8.403 assign ( resid 25 and name HG2*) ( resid 18 and name HD1) 3.6 0.7 0.7 volume=0.912 peak=2829 ppm1=0.682 ppm2=6.969 assign ( resid 127 and name HG) ( resid 127 and name HD1*) 2.8 0.6 0.6 volume=3.467 peak=912 ppm1=1.755 ppm2=0.830 assign ( resid 41 and name HG3) ( resid 42 and name H) 4.7 0.9 0.9 volume=0.177 peak=508 ppm1=1.967 ppm2=7.574 assign ( resid 114 and name HE2) ( resid 114 and name HD2) 2.5 0.5 0.5 volume=7.248 peak=2951 ppm1=2.987 ppm2=1.688 assign ( resid 91 and name HB3) ( resid 91 and name H) 3.8 0.8 0.8 volume=0.614 peak=1091 ppm1=1.970 ppm2=7.031 assign ( resid 112 and name HG1*) ( resid 113 and name H) 3.5 0.7 0.7 volume=0.983 peak=1331 ppm1=0.880 ppm2=8.602 assign ( resid 122 and name HA) ( resid 122 and name HG3) 4.0 0.8 0.8 volume=0.432 peak=1476 ppm1=3.690 ppm2=1.372 assign ( resid 108 and name HA) ( resid 109 and name HA) 3.5 0.7 0.7 volume=1.068 peak=2555 ppm1=4.421 ppm2=4.426 assign ( resid 115 and name HB2) ( resid 115 and name HA) 3.0 0.6 0.6 volume=2.499 peak=297 ppm1=2.012 ppm2=3.931 assign ( resid 32 and name HB) ( resid 33 and name H) 5.2 1.0 1.0 volume=0.096 peak=3109 ppm1=1.893 ppm2=8.600 assign ( resid 13 and name HA) ( resid 14 and name HB3) 2.9 0.6 0.6 volume=2.927 peak=863 ppm1=3.999 ppm2=2.259 assign ( resid 83 and name HA) ( resid 83 and name H) 4.0 0.8 0.8 volume=0.473 peak=3156 ppm1=4.647 ppm2=8.297 assign ( resid 45 and name HA) ( resid 45 and name HE*) 3.9 0.8 0.8 volume=0.531 peak=2708 ppm1=5.057 ppm2=7.154 assign ( resid 51 and name HG3) ( resid 52 and name H) 3.5 0.7 0.7 volume=0.970 peak=2891 ppm1=2.236 ppm2=8.645 assign ( resid 114 and name HA) ( resid 114 and name HB3) 3.1 0.6 0.6 volume=2.135 peak=2749 ppm1=2.797 ppm2=1.770 assign ( resid 60 and name HB3) ( resid 59 and name HA) 3.2 0.6 0.6 volume=1.582 peak=1758 ppm1=3.041 ppm2=4.803 assign ( resid 120 and name HG1*) ( resid 119 and name HG2) 3.8 0.8 0.8 volume=0.565 peak=3081 ppm1=0.164 ppm2=2.556 assign ( resid 96 and name HA) ( resid 96 and name HB3) 3.6 0.7 0.7 volume=0.911 peak=472 ppm1=3.875 ppm2=1.130 assign ( resid 35 and name HA) ( resid 35 and name HB3) 3.8 0.8 0.8 volume=0.648 peak=1857 ppm1=5.117 ppm2=1.453 assign ( resid 98 and name HA) ( resid 98 and name HG3) 4.1 0.8 0.8 volume=0.388 peak=1024 ppm1=3.084 ppm2=-0.331 assign ( resid 119 and name HB2) ( resid 119 and name HB3) 2.9 0.6 0.6 volume=3.153 peak=2496 ppm1=2.139 ppm2=1.984 assign ( resid 56 and name HD1*) ( resid 56 and name HD2*) 2.7 0.5 0.5 volume=5.135 peak=2836 ppm1=-0.689 ppm2=-0.094 assign ( resid 108 and name HA) ( resid 107 and name HB2) 4.5 0.9 0.9 volume=0.231 peak=1999 ppm1=4.419 ppm2=3.416 assign ( resid 35 and name HB3) ( resid 35 and name HA) 4.2 0.8 0.8 volume=0.325 peak=253 ppm1=1.453 ppm2=5.117 assign ( resid 51 and name HB3) ( resid 73 and name HE1) 4.8 1.0 1.0 volume=0.149 peak=169 ppm1=1.989 ppm2=10.108 assign ( resid 110 and name HB3) ( resid 109 and name HA) 5.0 1.0 1.0 volume=0.120 peak=2791 ppm1=2.648 ppm2=4.442 assign ( resid 43 and name HA2) ( resid 44 and name HB) 5.1 1.0 1.0 volume=0.103 peak=1703 ppm1=3.628 ppm2=1.764 assign ( resid 56 and name HG) ( resid 57 and name H) 4.1 0.8 0.8 volume=0.413 peak=2777 ppm1=0.982 ppm2=8.066 assign ( resid 86 and name HA) ( resid 86 and name HB2) 4.0 0.8 0.8 volume=0.473 peak=3183 ppm1=3.629 ppm2=2.418 assign ( resid 124 and name HG2*) ( resid 124 and name HB) 3.4 0.7 0.7 volume=1.275 peak=3299 ppm1=1.565 ppm2=3.808 assign ( resid 127 and name HD1*) ( resid 127 and name HA) 3.4 0.7 0.7 volume=1.282 peak=2039 ppm1=0.832 ppm2=5.058 assign ( resid 52 and name HB2) ( resid 52 and name HG2) 3.5 0.7 0.7 volume=1.019 peak=948 ppm1=1.794 ppm2=2.350 assign ( resid 35 and name HB3) ( resid 35 and name H) 4.8 1.0 1.0 volume=0.151 peak=2843 ppm1=1.453 ppm2=8.334 assign ( resid 21 and name HG2) ( resid 21 and name HE3) 3.3 0.7 0.7 volume=1.521 peak=2397 ppm1=1.213 ppm2=3.015 assign ( resid 114 and name HG2) ( resid 114 and name HD3) 3.0 0.6 0.6 volume=2.746 peak=1932 ppm1=1.135 ppm2=1.701 assign ( resid 105 and name HA) ( resid 104 and name H) 5.2 1.0 1.0 volume=0.090 peak=71 ppm1=4.680 ppm2=8.806 assign ( resid 94 and name HA2) ( resid 94 and name H) 3.7 0.7 0.7 volume=0.672 peak=113 ppm1=3.864 ppm2=8.641 assign ( resid 27 and name HG) ( resid 27 and name HD1*) 3.6 0.7 0.7 volume=0.901 peak=749 ppm1=1.535 ppm2=0.640 assign ( resid 83 and name HG2*) ( resid 83 and name HG12) 2.9 0.6 0.6 volume=3.394 peak=2757 ppm1=0.739 ppm2=1.452 assign ( resid 90 and name HG2) ( resid 90 and name HB3) 3.3 0.7 0.7 volume=1.490 peak=1902 ppm1=1.950 ppm2=2.305 assign ( resid 78 and name HA) ( resid 78 and name HB3) 3.6 0.7 0.7 volume=0.844 peak=494 ppm1=5.151 ppm2=3.503 assign ( resid 11 and name HA) ( resid 12 and name HB3) 4.6 0.9 0.9 volume=0.186 peak=735 ppm1=4.264 ppm2=0.958 assign ( resid 76 and name HA) ( resid 76 and name HB) 3.8 0.8 0.8 volume=0.580 peak=1793 ppm1=5.598 ppm2=1.966 assign ( resid 32 and name HG2*) ( resid 32 and name HA) 2.9 0.6 0.6 volume=3.118 peak=3233 ppm1=1.111 ppm2=4.809 assign ( resid 114 and name HD2) ( resid 114 and name HA) 4.1 0.8 0.8 volume=0.383 peak=1877 ppm1=1.688 ppm2=2.797 assign ( resid 67 and name HG3) ( resid 67 and name HB3) 2.9 0.6 0.6 volume=3.008 peak=2666 ppm1=1.989 ppm2=1.668 assign ( resid 76 and name HG2*) ( resid 77 and name H) 4.4 0.9 0.9 volume=0.249 peak=2965 ppm1=0.611 ppm2=7.539 assign ( resid 107 and name HA) ( resid 107 and name H) 4.5 0.9 0.9 volume=0.211 peak=2061 ppm1=4.017 ppm2=8.988 assign ( resid 49 and name HB3) ( resid 49 and name H) 3.9 0.8 0.8 volume=0.486 peak=152 ppm1=1.672 ppm2=7.249 assign ( resid 128 and name HG1*) ( resid 128 and name H) 3.4 0.7 0.7 volume=1.131 peak=2487 ppm1=0.811 ppm2=9.118 assign ( resid 31 and name HG2*) ( resid 31 and name HB) 3.2 0.6 0.6 volume=1.840 peak=2513 ppm1=0.609 ppm2=1.871 assign ( resid 51 and name HA) ( resid 51 and name HB2) 3.0 0.6 0.6 volume=2.510 peak=1400 ppm1=4.938 ppm2=2.198 assign ( resid 33 and name HB2) ( resid 33 and name HG) 4.4 0.9 0.9 volume=0.260 peak=2097 ppm1=3.060 ppm2=5.906 assign ( resid 66 and name HB3) ( resid 66 and name HD*) 4.1 0.8 0.8 volume=0.416 peak=2975 ppm1=2.566 ppm2=6.305 assign ( resid 56 and name HD1*) ( resid 56 and name HG) 2.9 0.6 0.6 volume=3.040 peak=168 ppm1=-0.684 ppm2=0.982 assign ( resid 125 and name HB2) ( resid 124 and name HA) 3.8 0.8 0.8 volume=0.601 peak=2087 ppm1=2.338 ppm2=4.458 assign ( resid 116 and name HB3) ( resid 116 and name HD2*) 3.5 0.7 0.7 volume=0.980 peak=2501 ppm1=1.778 ppm2=0.624 assign ( resid 110 and name HG3) ( resid 110 and name HA) 3.7 0.7 0.7 volume=0.678 peak=1468 ppm1=1.813 ppm2=3.960 assign ( resid 81 and name HA) ( resid 82 and name H) 3.6 0.7 0.7 volume=0.792 peak=3026 ppm1=4.291 ppm2=7.708 assign ( resid 125 and name HB3) ( resid 126 and name H) 4.2 0.8 0.8 volume=0.323 peak=3451 ppm1=1.935 ppm2=8.510 assign ( resid 114 and name HG2) ( resid 115 and name H) 4.7 0.9 0.9 volume=0.163 peak=1663 ppm1=1.136 ppm2=6.774 assign ( resid 24 and name HE3) ( resid 24 and name HD2) 2.4 0.5 0.5 volume=9.118 peak=1878 ppm1=2.992 ppm2=1.708 assign ( resid 84 and name HA) ( resid 84 and name HB2) 3.9 0.8 0.8 volume=0.520 peak=1625 ppm1=5.653 ppm2=3.718 assign ( resid 45 and name HB3) ( resid 46 and name H) 4.6 0.9 0.9 volume=0.185 peak=1995 ppm1=2.431 ppm2=7.920 assign ( resid 25 and name HG1*) ( resid 25 and name HA) 3.2 0.6 0.6 volume=1.769 peak=1647 ppm1=0.797 ppm2=3.262 assign ( resid 73 and name HA) ( resid 73 and name HE3) 4.2 0.8 0.8 volume=0.334 peak=2499 ppm1=5.755 ppm2=7.619 assign ( resid 22 and name HB3) ( resid 23 and name HA2) 3.4 0.7 0.7 volume=1.112 peak=2670 ppm1=2.896 ppm2=4.211 assign ( resid 46 and name HA) ( resid 46 and name HB3) 3.9 0.8 0.8 volume=0.499 peak=1585 ppm1=5.175 ppm2=2.430 assign ( resid 25 and name HG2*) ( resid 21 and name H) 4.7 0.9 0.9 volume=0.175 peak=3019 ppm1=0.685 ppm2=8.466 assign ( resid 125 and name HA) ( resid 124 and name HB) 4.8 1.0 1.0 volume=0.150 peak=1774 ppm1=4.491 ppm2=3.794 assign ( resid 92 and name HB2) ( resid 92 and name H) 4.2 0.8 0.8 volume=0.345 peak=427 ppm1=2.566 ppm2=8.632 assign ( resid 53 and name HB2) ( resid 53 and name HA) 3.2 0.6 0.6 volume=1.585 peak=2058 ppm1=2.769 ppm2=4.375 assign ( resid 78 and name HB2) ( resid 78 and name HD1) 4.8 1.0 1.0 volume=0.146 peak=3240 ppm1=3.107 ppm2=6.956 assign ( resid 55 and name HB) ( resid 55 and name HG2*) 2.8 0.6 0.6 volume=3.646 peak=59 ppm1=3.729 ppm2=0.802 assign ( resid 22 and name HA) ( resid 22 and name H) 3.3 0.7 0.7 volume=1.514 peak=1320 ppm1=4.178 ppm2=8.652 assign ( resid 128 and name HB) ( resid 128 and name H) 4.1 0.8 0.8 volume=0.397 peak=1668 ppm1=2.468 ppm2=9.118 assign ( resid 3 and name HG2) ( resid 3 and name HB3) 3.0 0.6 0.6 volume=2.763 peak=1729 ppm1=2.339 ppm2=1.927 assign ( resid 120 and name HG2*) ( resid 120 and name HB) 3.0 0.6 0.6 volume=2.324 peak=3355 ppm1=0.584 ppm2=1.455 assign ( resid 48 and name HB3) ( resid 49 and name HA) 4.5 0.9 0.9 volume=0.236 peak=3306 ppm1=3.515 ppm2=4.640 assign ( resid 74 and name HA) ( resid 74 and name HG2) 3.9 0.8 0.8 volume=0.523 peak=1032 ppm1=4.914 ppm2=2.485 assign ( resid 100 and name HB2) ( resid 100 and name HE) 4.1 0.8 0.8 volume=0.416 peak=2599 ppm1=2.298 ppm2=7.195 assign ( resid 50 and name HD2) ( resid 50 and name HE3) 3.5 0.7 0.7 volume=0.980 peak=1179 ppm1=1.820 ppm2=3.024 assign ( resid 84 and name HB3) ( resid 84 and name HB2) 4.3 0.9 0.9 volume=0.302 peak=1928 ppm1=3.919 ppm2=3.716 assign ( resid 115 and name HB2) ( resid 115 and name H) 3.2 0.6 0.6 volume=1.796 peak=742 ppm1=2.016 ppm2=6.761 assign ( resid 50 and name HB2) ( resid 51 and name H) 4.6 0.9 0.9 volume=0.192 peak=1364 ppm1=1.602 ppm2=9.526 assign ( resid 117 and name HB2) ( resid 117 and name HA) 4.2 0.8 0.8 volume=0.354 peak=109 ppm1=2.436 ppm2=3.784 assign ( resid 60 and name HB3) ( resid 60 and name HD21) 3.9 0.8 0.8 volume=0.485 peak=3292 ppm1=3.041 ppm2=6.956 assign ( resid 100 and name HB3) ( resid 101 and name H) 4.3 0.9 0.9 volume=0.311 peak=2618 ppm1=1.487 ppm2=7.182 assign ( resid 92 and name HB2) ( resid 93 and name HA2) 4.3 0.9 0.9 volume=0.289 peak=2158 ppm1=2.563 ppm2=4.398 assign ( resid 90 and name HD2) ( resid 91 and name H) 4.3 0.9 0.9 volume=0.302 peak=1584 ppm1=4.112 ppm2=7.004 assign ( resid 69 and name HD3) ( resid 68 and name HB3) 4.1 0.8 0.8 volume=0.415 peak=1273 ppm1=3.591 ppm2=3.384 assign ( resid 23 and name HA3) ( resid 22 and name HB2) 3.7 0.7 0.7 volume=0.724 peak=2412 ppm1=3.775 ppm2=2.684 assign ( resid 116 and name HD1*) ( resid 116 and name HB3) 3.3 0.7 0.7 volume=1.313 peak=1539 ppm1=0.383 ppm2=1.775 assign ( resid 27 and name HD2*) ( resid 27 and name HB3) 2.9 0.6 0.6 volume=2.914 peak=540 ppm1=0.820 ppm2=1.795 assign ( resid 90 and name HB2) ( resid 90 and name HG2) 2.5 0.5 0.5 volume=7.117 peak=1814 ppm1=2.003 ppm2=1.950 assign ( resid 27 and name HA) ( resid 28 and name HB3) 3.3 0.7 0.7 volume=1.435 peak=2209 ppm1=4.487 ppm2=1.525 assign ( resid 125 and name HG2) ( resid 125 and name HD3) 3.7 0.7 0.7 volume=0.722 peak=323 ppm1=2.361 ppm2=4.312 assign ( resid 124 and name HA) ( resid 124 and name H) 4.9 1.0 1.0 volume=0.137 peak=306 ppm1=4.458 ppm2=7.420 assign ( resid 41 and name HD2) ( resid 40 and name HB) 3.1 0.6 0.6 volume=2.132 peak=3515 ppm1=3.619 ppm2=3.703 assign ( resid 69 and name HB3) ( resid 68 and name HA) 3.3 0.7 0.7 volume=1.336 peak=755 ppm1=1.892 ppm2=4.901 assign ( resid 35 and name HG3) ( resid 35 and name HA) 5.2 1.0 1.0 volume=0.096 peak=3507 ppm1=1.598 ppm2=5.114 assign ( resid 43 and name HA3) ( resid 44 and name HB) 4.7 0.9 0.9 volume=0.169 peak=3410 ppm1=4.038 ppm2=1.779 assign ( resid 120 and name HG1*) ( resid 19 and name HE*) 3.9 0.8 0.8 volume=0.526 peak=3212 ppm1=0.164 ppm2=6.511 assign ( resid 32 and name HB) ( resid 32 and name H) 4.5 0.9 0.9 volume=0.211 peak=2401 ppm1=1.892 ppm2=8.267 assign ( resid 39 and name HG3) ( resid 39 and name HD3) 3.5 0.7 0.7 volume=1.042 peak=394 ppm1=1.990 ppm2=3.399 assign ( resid 98 and name HG2) ( resid 98 and name HA) 4.5 0.9 0.9 volume=0.217 peak=2370 ppm1=-0.170 ppm2=3.106 assign ( resid 6 and name HA) ( resid 7 and name HA) 4.5 0.9 0.9 volume=0.218 peak=2586 ppm1=5.223 ppm2=5.097 assign ( resid 37 and name HA) ( resid 36 and name HB3) 3.8 0.8 0.8 volume=0.600 peak=2247 ppm1=4.266 ppm2=2.008 assign ( resid 118 and name HA3) ( resid 119 and name H) 4.2 0.8 0.8 volume=0.332 peak=1670 ppm1=3.932 ppm2=7.349 assign ( resid 27 and name HB2) ( resid 27 and name HB3) 2.9 0.6 0.6 volume=2.881 peak=2888 ppm1=1.385 ppm2=1.784 assign ( resid 109 and name HB3) ( resid 109 and name HD3) 4.7 0.9 0.9 volume=0.179 peak=2690 ppm1=1.330 ppm2=3.057 assign ( resid 74 and name HA) ( resid 73 and name H) 4.8 1.0 1.0 volume=0.141 peak=2929 ppm1=4.914 ppm2=9.010 assign ( resid 7 and name HB3) ( resid 7 and name HD*) 4.4 0.9 0.9 volume=0.250 peak=145 ppm1=2.733 ppm2=6.643 assign ( resid 111 and name HA) ( resid 112 and name H) 4.2 0.8 0.8 volume=0.357 peak=2239 ppm1=3.887 ppm2=6.726 assign ( resid 113 and name HG2) ( resid 113 and name HB3) 4.4 0.9 0.9 volume=0.243 peak=1193 ppm1=2.153 ppm2=1.379 assign ( resid 32 and name HB) ( resid 32 and name HG2*) 3.5 0.7 0.7 volume=0.961 peak=772 ppm1=1.892 ppm2=1.111 assign ( resid 12 and name HB3) ( resid 12 and name HA) 4.1 0.8 0.8 volume=0.411 peak=1851 ppm1=0.958 ppm2=3.700 assign ( resid 125 and name HD2) ( resid 126 and name H) 5.0 1.0 1.0 volume=0.119 peak=1738 ppm1=4.465 ppm2=8.527 assign ( resid 108 and name HA) ( resid 109 and name HD2) 3.6 0.7 0.7 volume=0.779 peak=2043 ppm1=4.417 ppm2=2.950 assign ( resid 105 and name HB2) ( resid 106 and name H) 4.3 0.9 0.9 volume=0.297 peak=2257 ppm1=2.934 ppm2=8.711 assign ( resid 34 and name HA3) ( resid 34 and name H) 4.6 0.9 0.9 volume=0.188 peak=952 ppm1=3.726 ppm2=8.169 assign ( resid 121 and name HA) ( resid 121 and name HG3) 3.6 0.7 0.7 volume=0.860 peak=2168 ppm1=4.413 ppm2=2.251 assign ( resid 6 and name HB) ( resid 6 and name HA) 4.2 0.8 0.8 volume=0.347 peak=1957 ppm1=4.196 ppm2=5.223 assign ( resid 4 and name HA) ( resid 4 and name HG3) 3.2 0.6 0.6 volume=1.737 peak=1490 ppm1=4.308 ppm2=2.221 assign ( resid 38 and name HA) ( resid 39 and name HD2) 3.1 0.6 0.6 volume=2.108 peak=294 ppm1=4.580 ppm2=3.424 assign ( resid 112 and name HA) ( resid 113 and name H) 4.2 0.8 0.8 volume=0.344 peak=1167 ppm1=3.832 ppm2=8.622 assign ( resid 99 and name HG2*) ( resid 99 and name H) 3.6 0.7 0.7 volume=0.807 peak=451 ppm1=1.080 ppm2=7.415 assign ( resid 77 and name HB2) ( resid 78 and name H) 4.3 0.9 0.9 volume=0.284 peak=1864 ppm1=3.200 ppm2=8.545 assign ( resid 71 and name HB2) ( resid 71 and name HB3) 3.0 0.6 0.6 volume=2.321 peak=1058 ppm1=2.435 ppm2=1.764 assign ( resid 17 and name HB2) ( resid 17 and name HA) 4.8 1.0 1.0 volume=0.151 peak=695 ppm1=1.654 ppm2=5.612 assign ( resid 27 and name HB2) ( resid 27 and name HD1*) 3.7 0.7 0.7 volume=0.764 peak=3020 ppm1=1.386 ppm2=0.650 assign ( resid 83 and name HG12) ( resid 83 and name H) 4.8 1.0 1.0 volume=0.146 peak=1598 ppm1=1.466 ppm2=8.308 assign ( resid 122 and name HA) ( resid 122 and name H) 4.3 0.9 0.9 volume=0.303 peak=121 ppm1=3.689 ppm2=9.209 assign ( resid 57 and name HB2) ( resid 56 and name HA) 4.7 0.9 0.9 volume=0.171 peak=2049 ppm1=1.462 ppm2=4.017 assign ( resid 51 and name HB3) ( resid 51 and name HA) 3.6 0.7 0.7 volume=0.823 peak=199 ppm1=1.984 ppm2=4.940 assign ( resid 112 and name HB) ( resid 112 and name HG1*) 3.0 0.6 0.6 volume=2.724 peak=2264 ppm1=1.759 ppm2=0.880 assign ( resid 104 and name HA2) ( resid 104 and name H) 4.4 0.9 0.9 volume=0.266 peak=796 ppm1=3.233 ppm2=8.805 assign ( resid 38 and name HA) ( resid 38 and name H) 3.8 0.8 0.8 volume=0.600 peak=2330 ppm1=4.580 ppm2=7.728 assign ( resid 21 and name HB2) ( resid 22 and name HA) 5.0 1.0 1.0 volume=0.113 peak=2667 ppm1=1.523 ppm2=4.192 assign ( resid 54 and name HA) ( resid 55 and name HB) 4.3 0.9 0.9 volume=0.294 peak=2833 ppm1=4.496 ppm2=3.724 assign ( resid 30 and name HA) ( resid 31 and name H) 3.9 0.8 0.8 volume=0.506 peak=1523 ppm1=5.336 ppm2=7.644 assign ( resid 54 and name HB*) ( resid 53 and name HA) 2.9 0.6 0.6 volume=2.989 peak=855 ppm1=0.909 ppm2=4.392 assign ( resid 89 and name HB2) ( resid 89 and name HB3) 3.8 0.8 0.8 volume=0.599 peak=1595 ppm1=1.171 ppm2=1.638 assign ( resid 90 and name HB3) ( resid 90 and name HG2) 2.7 0.5 0.5 volume=4.624 peak=846 ppm1=2.305 ppm2=1.950 assign ( resid 35 and name HG3) ( resid 35 and name HG2) 3.8 0.8 0.8 volume=0.610 peak=3432 ppm1=1.599 ppm2=1.147 assign ( resid 113 and name HG2) ( resid 113 and name HE*) 3.5 0.7 0.7 volume=1.071 peak=871 ppm1=2.153 ppm2=2.084 assign ( resid 23 and name HA2) ( resid 24 and name H) 3.9 0.8 0.8 volume=0.544 peak=2547 ppm1=4.211 ppm2=7.606 assign ( resid 125 and name HD3) ( resid 125 and name HG3) 4.1 0.8 0.8 volume=0.407 peak=1078 ppm1=4.312 ppm2=2.172 assign ( resid 19 and name HA) ( resid 18 and name HA) 5.6 1.1 1.1 volume=0.063 peak=2192 ppm1=5.371 ppm2=4.955 assign ( resid 117 and name HA) ( resid 116 and name HB3) 3.9 0.8 0.8 volume=0.519 peak=2387 ppm1=3.784 ppm2=1.769 assign ( resid 84 and name HB3) ( resid 85 and name H) 5.0 1.0 1.0 volume=0.118 peak=1126 ppm1=3.920 ppm2=10.381 assign ( resid 57 and name HE2) ( resid 57 and name HD2) 2.7 0.5 0.5 volume=5.272 peak=1807 ppm1=2.776 ppm2=1.524 assign ( resid 65 and name HD2) ( resid 65 and name HB3) 4.0 0.8 0.8 volume=0.447 peak=1228 ppm1=3.894 ppm2=2.238 assign ( resid 26 and name HA) ( resid 25 and name HA) 4.0 0.8 0.8 volume=0.452 peak=75 ppm1=4.449 ppm2=3.259 assign ( resid 100 and name HG2) ( resid 101 and name H) 4.1 0.8 0.8 volume=0.361 peak=1108 ppm1=1.667 ppm2=7.182 assign ( resid 74 and name HG2) ( resid 74 and name HG3) 3.6 0.7 0.7 volume=0.835 peak=482 ppm1=2.485 ppm2=2.293 assign ( resid 98 and name HG3) ( resid 98 and name HA) 4.8 1.0 1.0 volume=0.143 peak=2093 ppm1=-0.331 ppm2=3.084 assign ( resid 15 and name HB3) ( resid 15 and name HB2) 4.2 0.8 0.8 volume=0.316 peak=2011 ppm1=2.541 ppm2=2.243 assign ( resid 42 and name HA) ( resid 42 and name HB*) 3.2 0.6 0.6 volume=1.575 peak=2075 ppm1=4.396 ppm2=1.405 assign ( resid 81 and name HG1*) ( resid 82 and name H) 3.7 0.7 0.7 volume=0.715 peak=2727 ppm1=0.783 ppm2=7.696 assign ( resid 126 and name HG1*) ( resid 126 and name HB) 2.7 0.5 0.5 volume=5.054 peak=2255 ppm1=0.867 ppm2=1.798 assign ( resid 113 and name HG3) ( resid 113 and name HA) 5.0 1.0 1.0 volume=0.123 peak=2730 ppm1=3.546 ppm2=4.093 assign ( resid 46 and name HB3) ( resid 47 and name H) 4.5 0.9 0.9 volume=0.236 peak=1113 ppm1=2.430 ppm2=8.280 assign ( resid 65 and name HD3) ( resid 65 and name HB3) 4.0 0.8 0.8 volume=0.476 peak=2517 ppm1=3.703 ppm2=2.238 assign ( resid 50 and name HB2) ( resid 50 and name HG2) 4.0 0.8 0.8 volume=0.433 peak=2626 ppm1=1.613 ppm2=0.708 assign ( resid 69 and name HG2) ( resid 69 and name HB3) 2.3 0.5 0.5 volume=10.983 peak=1737 ppm1=1.893 ppm2=1.894 assign ( resid 25 and name HG2*) ( resid 25 and name H) 2.9 0.6 0.6 volume=2.977 peak=3288 ppm1=0.684 ppm2=8.694 assign ( resid 125 and name HA) ( resid 125 and name HB2) 3.3 0.7 0.7 volume=1.486 peak=840 ppm1=4.491 ppm2=2.338 assign ( resid 124 and name HB) ( resid 124 and name HA) 4.2 0.8 0.8 volume=0.346 peak=1556 ppm1=3.791 ppm2=4.467 assign ( resid 64 and name HA) ( resid 63 and name H) 4.1 0.8 0.8 volume=0.392 peak=2245 ppm1=4.567 ppm2=8.129 assign ( resid 32 and name HG1*) ( resid 92 and name HA) 3.0 0.6 0.6 volume=2.459 peak=2703 ppm1=1.008 ppm2=4.445 assign ( resid 28 and name HB3) ( resid 29 and name H) 4.4 0.9 0.9 volume=0.253 peak=2083 ppm1=1.530 ppm2=8.024 assign ( resid 90 and name HD3) ( resid 90 and name HG3) 3.5 0.7 0.7 volume=1.022 peak=46 ppm1=3.998 ppm2=2.062 assign ( resid 109 and name HG3) ( resid 109 and name HB2) 4.1 0.8 0.8 volume=0.388 peak=1350 ppm1=1.385 ppm2=2.015 assign ( resid 24 and name HE2) ( resid 24 and name HG2) 3.5 0.7 0.7 volume=0.968 peak=3284 ppm1=3.044 ppm2=1.408 assign ( resid 15 and name HB3) ( resid 15 and name H) 4.5 0.9 0.9 volume=0.219 peak=513 ppm1=2.533 ppm2=8.044 assign ( resid 32 and name HB) ( resid 32 and name HA) 4.3 0.9 0.9 volume=0.288 peak=142 ppm1=1.892 ppm2=4.809 assign ( resid 74 and name HE*) ( resid 117 and name HD*) 3.9 0.8 0.8 volume=0.489 peak=1575 ppm1=1.639 ppm2=6.954 assign ( resid 6 and name HG2*) ( resid 6 and name HB) 3.0 0.6 0.6 volume=2.440 peak=164 ppm1=1.590 ppm2=4.177 assign ( resid 53 and name HA) ( resid 54 and name HB*) 4.2 0.8 0.8 volume=0.329 peak=3351 ppm1=4.392 ppm2=0.909 assign ( resid 24 and name HD2) ( resid 24 and name HG2) 3.0 0.6 0.6 volume=2.578 peak=3271 ppm1=1.708 ppm2=1.415 assign ( resid 69 and name HB2) ( resid 69 and name HD3) 3.8 0.8 0.8 volume=0.580 peak=1748 ppm1=2.199 ppm2=3.591 assign ( resid 20 and name HB2) ( resid 20 and name HA) 4.2 0.8 0.8 volume=0.360 peak=3108 ppm1=2.016 ppm2=4.450 assign ( resid 109 and name HA) ( resid 109 and name HG3) 3.9 0.8 0.8 volume=0.506 peak=2259 ppm1=4.442 ppm2=1.385 assign ( resid 59 and name HB) ( resid 59 and name HG2*) 2.9 0.6 0.6 volume=3.365 peak=696 ppm1=3.867 ppm2=1.138 assign ( resid 122 and name HE3) ( resid 122 and name HG2) 3.7 0.7 0.7 volume=0.670 peak=655 ppm1=3.130 ppm2=1.062 assign ( resid 57 and name HG3) ( resid 57 and name HB2) 3.0 0.6 0.6 volume=2.339 peak=1435 ppm1=1.153 ppm2=1.456 assign ( resid 27 and name HB3) ( resid 116 and name HD1*) 4.4 0.9 0.9 volume=0.241 peak=1071 ppm1=1.788 ppm2=0.376 assign ( resid 92 and name HB3) ( resid 92 and name HB2) 3.8 0.8 0.8 volume=0.650 peak=2800 ppm1=2.323 ppm2=2.563 assign ( resid 90 and name HA) ( resid 90 and name HD3) 4.1 0.8 0.8 volume=0.362 peak=842 ppm1=4.493 ppm2=3.999 assign ( resid 4 and name HG3) ( resid 5 and name H) 3.4 0.7 0.7 volume=1.107 peak=1954 ppm1=2.240 ppm2=8.429 assign ( resid 103 and name HB3) ( resid 104 and name H) 5.2 1.0 1.0 volume=0.093 peak=3436 ppm1=3.375 ppm2=8.806 assign ( resid 127 and name HB3) ( resid 127 and name HD1*) 3.1 0.6 0.6 volume=2.060 peak=1761 ppm1=1.858 ppm2=0.830 assign ( resid 69 and name HG3) ( resid 68 and name HA) 3.6 0.7 0.7 volume=0.842 peak=1289 ppm1=2.182 ppm2=4.917 assign ( resid 15 and name HB2) ( resid 14 and name HA) 4.5 0.9 0.9 volume=0.227 peak=29 ppm1=2.245 ppm2=4.810 assign ( resid 110 and name HB3) ( resid 110 and name HA) 3.7 0.7 0.7 volume=0.772 peak=3505 ppm1=2.646 ppm2=3.973 assign ( resid 56 and name HD2*) ( resid 56 and name H) 3.9 0.8 0.8 volume=0.515 peak=2279 ppm1=-0.092 ppm2=8.171 assign ( resid 114 and name HB3) ( resid 114 and name HD3) 2.5 0.5 0.5 volume=7.974 peak=3263 ppm1=1.770 ppm2=1.712 assign ( resid 21 and name HG2) ( resid 21 and name HA) 3.5 0.7 0.7 volume=0.924 peak=2772 ppm1=1.215 ppm2=4.545 assign ( resid 57 and name HD2) ( resid 57 and name HG3) 2.8 0.6 0.6 volume=3.836 peak=2958 ppm1=1.506 ppm2=1.153 assign ( resid 98 and name HB3) ( resid 98 and name HA) 4.1 0.8 0.8 volume=0.388 peak=1530 ppm1=1.436 ppm2=3.084 assign ( resid 111 and name HB2) ( resid 112 and name HA) 2.5 0.5 0.5 volume=7.637 peak=3319 ppm1=3.887 ppm2=3.834 assign ( resid 44 and name HB) ( resid 44 and name H) 3.3 0.7 0.7 volume=1.436 peak=2258 ppm1=1.779 ppm2=7.483 assign ( resid 35 and name HA) ( resid 36 and name HB3) 4.5 0.9 0.9 volume=0.217 peak=2633 ppm1=5.117 ppm2=2.008 assign ( resid 41 and name HG3) ( resid 41 and name HD2) 3.8 0.8 0.8 volume=0.657 peak=1826 ppm1=1.974 ppm2=3.619 assign ( resid 100 and name HB3) ( resid 100 and name HG3) 3.2 0.6 0.6 volume=1.655 peak=498 ppm1=1.487 ppm2=1.640 assign ( resid 64 and name HA) ( resid 65 and name HD3) 3.2 0.6 0.6 volume=1.665 peak=1742 ppm1=4.569 ppm2=3.715 assign ( resid 41 and name HB2) ( resid 42 and name HA) 3.6 0.7 0.7 volume=0.788 peak=1197 ppm1=2.035 ppm2=4.398 assign ( resid 122 and name HD3) ( resid 122 and name HE3) 3.4 0.7 0.7 volume=1.169 peak=1336 ppm1=1.808 ppm2=3.129 assign ( resid 121 and name HA) ( resid 120 and name HA) 4.2 0.8 0.8 volume=0.314 peak=3076 ppm1=4.413 ppm2=3.658 assign ( resid 65 and name HB3) ( resid 65 and name HD3) 3.9 0.8 0.8 volume=0.496 peak=1930 ppm1=2.238 ppm2=3.703 assign ( resid 57 and name HG2) ( resid 57 and name HB3) 3.0 0.6 0.6 volume=2.491 peak=267 ppm1=1.133 ppm2=1.663 assign ( resid 31 and name HA) ( resid 30 and name HA) 5.0 1.0 1.0 volume=0.120 peak=2062 ppm1=5.090 ppm2=5.336 assign ( resid 39 and name HD3) ( resid 39 and name HG2) 3.4 0.7 0.7 volume=1.146 peak=1204 ppm1=3.399 ppm2=1.831 assign ( resid 12 and name HD1*) ( resid 12 and name HG) 3.1 0.6 0.6 volume=2.071 peak=2491 ppm1=0.565 ppm2=1.461 assign ( resid 76 and name HD1*) ( resid 45 and name H) 4.5 0.9 0.9 volume=0.211 peak=1105 ppm1=0.150 ppm2=9.256 assign ( resid 97 and name HA) ( resid 97 and name H) 4.6 0.9 0.9 volume=0.193 peak=140 ppm1=3.736 ppm2=9.613 assign ( resid 125 and name HG2) ( resid 125 and name HG3) 3.2 0.6 0.6 volume=1.761 peak=2032 ppm1=2.362 ppm2=2.167 assign ( resid 56 and name HD1*) ( resid 70 and name HG2*) 3.4 0.7 0.7 volume=1.145 peak=2405 ppm1=-0.689 ppm2=0.514 assign ( resid 27 and name HA) ( resid 28 and name H) 3.0 0.6 0.6 volume=2.597 peak=3338 ppm1=4.487 ppm2=8.446 assign ( resid 100 and name HG2) ( resid 100 and name HD2) 3.3 0.7 0.7 volume=1.301 peak=1166 ppm1=1.667 ppm2=3.226 assign ( resid 58 and name HA2) ( resid 57 and name H) 4.7 0.9 0.9 volume=0.173 peak=2841 ppm1=3.909 ppm2=8.071 assign ( resid 98 and name HB3) ( resid 99 and name H) 3.7 0.7 0.7 volume=0.694 peak=693 ppm1=1.436 ppm2=7.393 assign ( resid 43 and name HA3) ( resid 42 and name HA) 4.7 0.9 0.9 volume=0.161 peak=740 ppm1=4.038 ppm2=4.398 assign ( resid 41 and name HB2) ( resid 41 and name HG2) 2.6 0.5 0.5 volume=5.961 peak=2970 ppm1=2.035 ppm2=2.024 assign ( resid 51 and name HG3) ( resid 51 and name HB2) 1.7 0.0 0.3 volume=64.750 peak=3506 ppm1=2.236 ppm2=2.191 assign ( resid 44 and name HG2*) ( resid 44 and name HB) 2.6 0.5 0.5 volume=6.591 peak=1265 ppm1=0.895 ppm2=1.779 assign ( resid 120 and name HA) ( resid 121 and name H) 3.3 0.7 0.7 volume=1.468 peak=3087 ppm1=3.658 ppm2=8.105 assign ( resid 100 and name HG3) ( resid 100 and name HB2) 3.3 0.7 0.7 volume=1.334 peak=537 ppm1=1.640 ppm2=2.298 assign ( resid 76 and name HD1*) ( resid 45 and name HB2) 3.4 0.7 0.7 volume=1.198 peak=841 ppm1=0.151 ppm2=3.991 assign ( resid 112 and name HG1*) ( resid 112 and name HA) 2.8 0.6 0.6 volume=3.444 peak=2021 ppm1=0.880 ppm2=3.834 assign ( resid 9 and name HA) ( resid 10 and name HB) 4.2 0.8 0.8 volume=0.313 peak=1207 ppm1=5.773 ppm2=2.140 assign ( resid 121 and name HB3) ( resid 121 and name HG2) 3.3 0.7 0.7 volume=1.305 peak=1300 ppm1=2.074 ppm2=2.397 assign ( resid 43 and name HA2) ( resid 44 and name H) 4.2 0.8 0.8 volume=0.330 peak=2047 ppm1=3.627 ppm2=7.483 assign ( resid 90 and name HB2) ( resid 90 and name HA) 3.2 0.6 0.6 volume=1.658 peak=579 ppm1=2.000 ppm2=4.484 assign ( resid 117 and name HB3) ( resid 118 and name H) 4.6 0.9 0.9 volume=0.202 peak=1406 ppm1=2.572 ppm2=7.192 assign ( resid 67 and name HB3) ( resid 67 and name HG3) 3.2 0.6 0.6 volume=1.746 peak=1263 ppm1=1.665 ppm2=1.990 assign ( resid 96 and name HB2) ( resid 96 and name HA) 4.1 0.8 0.8 volume=0.390 peak=2130 ppm1=2.103 ppm2=3.868 assign ( resid 91 and name HB2) ( resid 92 and name HA) 4.1 0.8 0.8 volume=0.411 peak=3488 ppm1=1.649 ppm2=4.437 assign ( resid 37 and name HB) ( resid 36 and name HA) 2.9 0.6 0.6 volume=3.122 peak=1754 ppm1=4.423 ppm2=4.379 assign ( resid 123 and name HA2) ( resid 124 and name HA) 3.9 0.8 0.8 volume=0.504 peak=2536 ppm1=4.329 ppm2=4.458 assign ( resid 57 and name HB3) ( resid 57 and name HA) 3.6 0.7 0.7 volume=0.821 peak=2636 ppm1=1.663 ppm2=4.621 assign ( resid 30 and name HB2) ( resid 30 and name H) 4.2 0.8 0.8 volume=0.328 peak=2821 ppm1=2.582 ppm2=8.421 assign ( resid 56 and name HD1*) ( resid 55 and name HA) 4.8 1.0 1.0 volume=0.158 peak=784 ppm1=-0.687 ppm2=4.351 assign ( resid 78 and name HB2) ( resid 78 and name H) 4.3 0.9 0.9 volume=0.302 peak=421 ppm1=3.109 ppm2=8.563 assign ( resid 21 and name HD2) ( resid 21 and name HE2) 3.1 0.6 0.6 volume=1.919 peak=958 ppm1=1.606 ppm2=3.009 assign ( resid 56 and name HB3) ( resid 56 and name HD2*) 3.6 0.7 0.7 volume=0.844 peak=2880 ppm1=1.155 ppm2=-0.092 assign ( resid 56 and name HB3) ( resid 57 and name H) 3.9 0.8 0.8 volume=0.527 peak=2433 ppm1=1.155 ppm2=8.066 assign ( resid 111 and name HA) ( resid 112 and name HG1*) 3.9 0.8 0.8 volume=0.490 peak=340 ppm1=3.889 ppm2=0.875 assign ( resid 84 and name HB2) ( resid 70 and name HG2*) 4.6 0.9 0.9 volume=0.201 peak=3339 ppm1=3.720 ppm2=0.523 assign ( resid 120 and name HG1*) ( resid 74 and name HE*) 3.1 0.6 0.6 volume=2.141 peak=314 ppm1=0.164 ppm2=1.625 assign ( resid 79 and name HB) ( resid 80 and name H) 5.1 1.0 1.0 volume=0.103 peak=1136 ppm1=4.457 ppm2=7.915 assign ( resid 114 and name HG3) ( resid 115 and name H) 4.8 1.0 1.0 volume=0.152 peak=1486 ppm1=1.319 ppm2=6.761 assign ( resid 38 and name HB) ( resid 39 and name HD2) 4.2 0.8 0.8 volume=0.326 peak=3008 ppm1=4.346 ppm2=3.432 assign ( resid 21 and name HE3) ( resid 21 and name HG3) 2.8 0.6 0.6 volume=3.509 peak=3088 ppm1=3.015 ppm2=1.203 assign ( resid 57 and name HG2) ( resid 57 and name HE3) 3.4 0.7 0.7 volume=1.176 peak=3190 ppm1=1.134 ppm2=2.782 assign ( resid 8 and name HD1*) ( resid 9 and name H) 4.4 0.9 0.9 volume=0.257 peak=1840 ppm1=0.630 ppm2=9.761 assign ( resid 79 and name HA) ( resid 80 and name HA2) 3.3 0.7 0.7 volume=1.469 peak=32 ppm1=4.674 ppm2=4.659 assign ( resid 4 and name HA) ( resid 4 and name HB2) 3.2 0.6 0.6 volume=1.822 peak=2137 ppm1=4.308 ppm2=2.057 assign ( resid 116 and name HB2) ( resid 116 and name HA) 4.0 0.8 0.8 volume=0.432 peak=668 ppm1=1.236 ppm2=3.573 assign ( resid 84 and name HB3) ( resid 70 and name HG2*) 4.9 1.0 1.0 volume=0.127 peak=793 ppm1=3.920 ppm2=0.528 assign ( resid 5 and name HB3) ( resid 5 and name H) 3.4 0.7 0.7 volume=1.116 peak=1669 ppm1=2.684 ppm2=8.429 assign ( resid 50 and name HE2) ( resid 50 and name HD2) 3.0 0.6 0.6 volume=2.438 peak=78 ppm1=3.005 ppm2=1.820 assign ( resid 81 and name HA) ( resid 81 and name HB) 4.2 0.8 0.8 volume=0.326 peak=1297 ppm1=4.291 ppm2=1.760 assign ( resid 59 and name HG2*) ( resid 63 and name HA2) 3.1 0.6 0.6 volume=2.015 peak=2556 ppm1=1.138 ppm2=3.623 assign ( resid 3 and name HG2) ( resid 3 and name HB2) 3.3 0.7 0.7 volume=1.315 peak=2898 ppm1=2.342 ppm2=1.720 assign ( resid 10 and name HA) ( resid 9 and name HB2) 4.8 1.0 1.0 volume=0.143 peak=2714 ppm1=4.530 ppm2=2.453 assign ( resid 27 and name HB2) ( resid 26 and name HA) 3.6 0.7 0.7 volume=0.849 peak=3158 ppm1=1.386 ppm2=4.448 assign ( resid 4 and name HB2) ( resid 4 and name HG3) 2.8 0.6 0.6 volume=3.917 peak=1399 ppm1=2.057 ppm2=2.220 assign ( resid 98 and name HB3) ( resid 98 and name HG2) 4.1 0.8 0.8 volume=0.393 peak=2854 ppm1=1.436 ppm2=-0.173 assign ( resid 57 and name HB3) ( resid 57 and name HG2) 3.2 0.6 0.6 volume=1.609 peak=2036 ppm1=1.660 ppm2=1.124 assign ( resid 51 and name HG2) ( resid 51 and name HA) 3.7 0.7 0.7 volume=0.743 peak=2165 ppm1=2.215 ppm2=4.937 assign ( resid 40 and name HB) ( resid 40 and name HG2*) 3.4 0.7 0.7 volume=1.151 peak=598 ppm1=3.703 ppm2=1.190 assign ( resid 99 and name HB) ( resid 99 and name HG2*) 2.8 0.6 0.6 volume=3.747 peak=1837 ppm1=4.160 ppm2=1.077 assign ( resid 119 and name HG2) ( resid 119 and name HB3) 3.4 0.7 0.7 volume=1.130 peak=443 ppm1=2.561 ppm2=1.987 assign ( resid 93 and name HA3) ( resid 92 and name H) 4.1 0.8 0.8 volume=0.414 peak=477 ppm1=4.497 ppm2=8.622 assign ( resid 83 and name HB) ( resid 84 and name H) 5.1 1.0 1.0 volume=0.100 peak=2414 ppm1=1.461 ppm2=8.058 assign ( resid 43 and name HA3) ( resid 42 and name HB*) 4.9 1.0 1.0 volume=0.137 peak=2500 ppm1=4.038 ppm2=1.415 assign ( resid 125 and name HB2) ( resid 125 and name HD3) 4.2 0.8 0.8 volume=0.359 peak=1815 ppm1=2.338 ppm2=4.314 assign ( resid 50 and name HB3) ( resid 50 and name HD3) 3.6 0.7 0.7 volume=0.862 peak=1302 ppm1=1.320 ppm2=1.700 assign ( resid 74 and name HE*) ( resid 116 and name HD1*) 3.2 0.6 0.6 volume=1.577 peak=3121 ppm1=1.642 ppm2=0.380 assign ( resid 24 and name HG3) ( resid 24 and name HB3) 2.9 0.6 0.6 volume=3.333 peak=2127 ppm1=1.380 ppm2=1.770 assign ( resid 49 and name HA) ( resid 50 and name HB3) 4.5 0.9 0.9 volume=0.210 peak=3276 ppm1=4.640 ppm2=1.320 assign ( resid 127 and name HA) ( resid 127 and name HD2*) 3.2 0.6 0.6 volume=1.812 peak=1150 ppm1=5.067 ppm2=0.846 assign ( resid 116 and name HG) ( resid 116 and name HD2*) 3.2 0.6 0.6 volume=1.745 peak=2008 ppm1=1.147 ppm2=0.613 assign ( resid 121 and name HG3) ( resid 122 and name H) 4.0 0.8 0.8 volume=0.474 peak=1068 ppm1=2.253 ppm2=9.208 assign ( resid 44 and name HA) ( resid 44 and name HG2*) 3.3 0.7 0.7 volume=1.428 peak=557 ppm1=4.470 ppm2=0.895 assign ( resid 12 and name HD2*) ( resid 12 and name HB2) 3.4 0.7 0.7 volume=1.114 peak=57 ppm1=0.410 ppm2=1.794 assign ( resid 24 and name HD2) ( resid 24 and name H) 4.5 0.9 0.9 volume=0.216 peak=2725 ppm1=1.712 ppm2=7.604 assign ( resid 85 and name HB2) ( resid 85 and name H) 4.5 0.9 0.9 volume=0.223 peak=2950 ppm1=2.712 ppm2=10.373 assign ( resid 98 and name HB2) ( resid 98 and name HE2) 4.4 0.9 0.9 volume=0.265 peak=3310 ppm1=1.408 ppm2=2.744 assign ( resid 74 and name HG3) ( resid 74 and name HB3) 3.8 0.8 0.8 volume=0.627 peak=2318 ppm1=2.295 ppm2=2.046 assign ( resid 113 and name HE*) ( resid 74 and name HE*) 2.9 0.6 0.6 volume=3.065 peak=2798 ppm1=2.086 ppm2=1.637 assign ( resid 2 and name HA) ( resid 2 and name HB2) 3.1 0.6 0.6 volume=2.267 peak=971 ppm1=4.636 ppm2=3.146 assign ( resid 5 and name HB2) ( resid 6 and name H) 3.6 0.7 0.7 volume=0.817 peak=3222 ppm1=2.693 ppm2=7.726 assign ( resid 91 and name HB2) ( resid 92 and name H) 3.8 0.8 0.8 volume=0.576 peak=373 ppm1=1.650 ppm2=8.634 assign ( resid 95 and name HA) ( resid 96 and name HB3) 4.7 0.9 0.9 volume=0.162 peak=706 ppm1=5.163 ppm2=1.130 assign ( resid 100 and name HD3) ( resid 100 and name HG2) 3.3 0.7 0.7 volume=1.456 peak=559 ppm1=3.106 ppm2=1.667 assign ( resid 21 and name HA) ( resid 21 and name HG3) 3.4 0.7 0.7 volume=1.248 peak=434 ppm1=4.545 ppm2=1.203 assign ( resid 18 and name HB2) ( resid 18 and name HB3) 3.7 0.7 0.7 volume=0.766 peak=911 ppm1=2.663 ppm2=3.296 assign ( resid 52 and name HG2) ( resid 53 and name H) 4.4 0.9 0.9 volume=0.250 peak=929 ppm1=2.351 ppm2=8.328 assign ( resid 13 and name HA) ( resid 13 and name HG3) 3.2 0.6 0.6 volume=1.875 peak=2229 ppm1=4.000 ppm2=2.351 assign ( resid 42 and name HB*) ( resid 45 and name HE*) 3.9 0.8 0.8 volume=0.497 peak=284 ppm1=1.423 ppm2=7.168 assign ( resid 91 and name HB2) ( resid 91 and name H) 4.0 0.8 0.8 volume=0.451 peak=376 ppm1=1.649 ppm2=7.025 assign ( resid 116 and name HA) ( resid 116 and name HB2) 3.6 0.7 0.7 volume=0.787 peak=2809 ppm1=3.575 ppm2=1.228 assign ( resid 106 and name HB) ( resid 106 and name HG12) 4.4 0.9 0.9 volume=0.253 peak=553 ppm1=1.721 ppm2=1.339 assign ( resid 49 and name HB3) ( resid 49 and name HD21) 3.9 0.8 0.8 volume=0.486 peak=4 ppm1=1.672 ppm2=7.233 assign ( resid 8 and name HA) ( resid 9 and name H) 3.6 0.7 0.7 volume=0.820 peak=2392 ppm1=5.318 ppm2=9.749 assign ( resid 17 and name HE*) ( resid 108 and name HB) 4.4 0.9 0.9 volume=0.258 peak=3290 ppm1=1.480 ppm2=3.411 assign ( resid 98 and name HG3) ( resid 98 and name HE2) 4.4 0.9 0.9 volume=0.256 peak=364 ppm1=-0.333 ppm2=2.754 assign ( resid 117 and name HA) ( resid 117 and name HB2) 3.5 0.7 0.7 volume=0.973 peak=82 ppm1=3.783 ppm2=2.438 assign ( resid 128 and name HG2*) ( resid 128 and name H) 3.8 0.8 0.8 volume=0.657 peak=1480 ppm1=0.836 ppm2=9.118 assign ( resid 127 and name HA) ( resid 126 and name HB) 3.4 0.7 0.7 volume=1.191 peak=1411 ppm1=5.067 ppm2=1.798 assign ( resid 100 and name HB2) ( resid 100 and name HA) 3.3 0.7 0.7 volume=1.466 peak=3282 ppm1=2.297 ppm2=4.790 assign ( resid 54 and name HA) ( resid 55 and name H) 3.1 0.6 0.6 volume=2.270 peak=633 ppm1=4.499 ppm2=8.399 assign ( resid 70 and name HA) ( resid 69 and name HB3) 4.1 0.8 0.8 volume=0.391 peak=1918 ppm1=4.726 ppm2=1.894 assign ( resid 31 and name HA) ( resid 31 and name HG12) 4.2 0.8 0.8 volume=0.325 peak=2787 ppm1=5.090 ppm2=0.800 assign ( resid 63 and name HA3) ( resid 64 and name HB) 2.8 0.6 0.6 volume=3.703 peak=3352 ppm1=4.366 ppm2=4.335 assign ( resid 127 and name HD2*) ( resid 127 and name HA) 3.6 0.7 0.7 volume=0.904 peak=2832 ppm1=0.849 ppm2=5.058 assign ( resid 14 and name HB2) ( resid 14 and name HA) 3.5 0.7 0.7 volume=0.949 peak=326 ppm1=2.865 ppm2=4.828 assign ( resid 122 and name HB2) ( resid 122 and name HD2) 2.9 0.6 0.6 volume=2.799 peak=1028 ppm1=1.692 ppm2=1.832 assign ( resid 67 and name HA) ( resid 68 and name HB3) 4.0 0.8 0.8 volume=0.461 peak=3519 ppm1=4.969 ppm2=3.374 assign ( resid 88 and name HB2) ( resid 88 and name HE1) 5.2 1.0 1.0 volume=0.090 peak=2503 ppm1=3.478 ppm2=10.885 assign ( resid 107 and name HB2) ( resid 107 and name HA) 4.6 0.9 0.9 volume=0.190 peak=181 ppm1=3.429 ppm2=4.012 assign ( resid 98 and name HG2) ( resid 98 and name HB3) 3.9 0.8 0.8 volume=0.545 peak=67 ppm1=-0.177 ppm2=1.414 assign ( resid 35 and name HB3) ( resid 35 and name HE2) 4.8 1.0 1.0 volume=0.151 peak=2733 ppm1=1.453 ppm2=2.896 assign ( resid 53 and name HB3) ( resid 52 and name HA) 5.4 1.1 1.1 volume=0.076 peak=536 ppm1=2.591 ppm2=4.933 assign ( resid 121 and name HG2) ( resid 121 and name HB3) 3.0 0.6 0.6 volume=2.502 peak=2673 ppm1=2.394 ppm2=2.069 assign ( resid 116 and name HB3) ( resid 116 and name HA) 4.0 0.8 0.8 volume=0.418 peak=521 ppm1=1.779 ppm2=3.573 assign ( resid 45 and name HA) ( resid 44 and name H) 4.6 0.9 0.9 volume=0.203 peak=429 ppm1=5.057 ppm2=7.483 assign ( resid 9 and name HG3) ( resid 9 and name HB2) 3.4 0.7 0.7 volume=1.206 peak=2109 ppm1=2.678 ppm2=2.453 assign ( resid 100 and name HB3) ( resid 100 and name HD2) 4.0 0.8 0.8 volume=0.449 peak=2020 ppm1=1.486 ppm2=3.218 assign ( resid 10 and name HA) ( resid 9 and name HB3) 4.8 1.0 1.0 volume=0.158 peak=1776 ppm1=4.530 ppm2=2.575 assign ( resid 30 and name HB3) ( resid 31 and name H) 4.2 0.8 0.8 volume=0.322 peak=1217 ppm1=2.659 ppm2=7.644 assign ( resid 98 and name HD2) ( resid 98 and name HB3) 3.3 0.7 0.7 volume=1.386 peak=2304 ppm1=1.242 ppm2=1.436 assign ( resid 36 and name HG3) ( resid 36 and name HD3) 3.4 0.7 0.7 volume=1.251 peak=1971 ppm1=2.025 ppm2=3.712 assign ( resid 4 and name HB3) ( resid 4 and name HG2) 2.9 0.6 0.6 volume=3.250 peak=262 ppm1=1.860 ppm2=2.211 assign ( resid 3 and name HB2) ( resid 3 and name HG3) 3.2 0.6 0.6 volume=1.641 peak=1001 ppm1=1.722 ppm2=2.411 assign ( resid 116 and name HB2) ( resid 116 and name HD1*) 3.8 0.8 0.8 volume=0.614 peak=2238 ppm1=1.228 ppm2=0.379 assign ( resid 71 and name HA) ( resid 71 and name HB2) 3.5 0.7 0.7 volume=1.012 peak=1571 ppm1=4.311 ppm2=2.425 assign ( resid 56 and name HG) ( resid 56 and name H) 3.8 0.8 0.8 volume=0.613 peak=794 ppm1=0.984 ppm2=8.148 assign ( resid 122 and name HG2) ( resid 122 and name H) 4.2 0.8 0.8 volume=0.315 peak=3039 ppm1=1.062 ppm2=9.207 assign ( resid 57 and name HB2) ( resid 57 and name HD2) 2.7 0.5 0.5 volume=4.857 peak=1038 ppm1=1.455 ppm2=1.488 assign ( resid 10 and name HG1*) ( resid 10 and name HA) 3.3 0.7 0.7 volume=1.392 peak=191 ppm1=0.621 ppm2=4.510 assign ( resid 120 and name HB) ( resid 121 and name H) 4.4 0.9 0.9 volume=0.248 peak=1907 ppm1=1.455 ppm2=8.105 assign ( resid 31 and name HA) ( resid 31 and name HG2*) 3.3 0.7 0.7 volume=1.309 peak=1337 ppm1=5.092 ppm2=0.603 assign ( resid 65 and name HA) ( resid 64 and name HA) 4.1 0.8 0.8 volume=0.403 peak=2645 ppm1=4.979 ppm2=4.567 assign ( resid 58 and name HA2) ( resid 57 and name HA) 4.1 0.8 0.8 volume=0.365 peak=1363 ppm1=3.909 ppm2=4.621 assign ( resid 125 and name HD3) ( resid 125 and name HB2) 3.8 0.8 0.8 volume=0.572 peak=1426 ppm1=4.313 ppm2=2.346 assign ( resid 74 and name HB2) ( resid 74 and name H) 4.9 1.0 1.0 volume=0.136 peak=1773 ppm1=1.643 ppm2=7.924 assign ( resid 90 and name HD3) ( resid 90 and name HG2) 3.5 0.7 0.7 volume=0.993 peak=1306 ppm1=3.999 ppm2=1.950 assign ( resid 116 and name HG) ( resid 117 and name H) 5.3 1.1 1.1 volume=0.083 peak=450 ppm1=1.144 ppm2=8.859 assign ( resid 83 and name HG12) ( resid 83 and name HA) 4.6 0.9 0.9 volume=0.202 peak=65 ppm1=1.464 ppm2=4.647 assign ( resid 50 and name HG3) ( resid 50 and name HG2) 3.4 0.7 0.7 volume=1.106 peak=729 ppm1=1.069 ppm2=0.707 assign ( resid 126 and name HG2*) ( resid 8 and name H) 3.7 0.7 0.7 volume=0.676 peak=3221 ppm1=0.692 ppm2=9.232 assign ( resid 86 and name HA) ( resid 87 and name HA) 4.7 0.9 0.9 volume=0.163 peak=239 ppm1=3.626 ppm2=4.200 assign ( resid 6 and name HA) ( resid 6 and name HB) 4.0 0.8 0.8 volume=0.473 peak=803 ppm1=5.230 ppm2=4.192 assign ( resid 18 and name HB3) ( resid 19 and name H) 4.9 1.0 1.0 volume=0.140 peak=1003 ppm1=3.300 ppm2=9.157 assign ( resid 72 and name HB2) ( resid 72 and name HA) 4.6 0.9 0.9 volume=0.206 peak=3343 ppm1=2.711 ppm2=4.485 assign ( resid 119 and name HG3) ( resid 118 and name HA3) 4.8 1.0 1.0 volume=0.149 peak=2739 ppm1=2.710 ppm2=3.936 assign ( resid 21 and name HG3) ( resid 21 and name HB2) 2.9 0.6 0.6 volume=3.286 peak=2265 ppm1=1.203 ppm2=1.521 assign ( resid 105 and name HB3) ( resid 105 and name H) 4.6 0.9 0.9 volume=0.200 peak=440 ppm1=3.491 ppm2=9.098 assign ( resid 25 and name HG2*) ( resid 25 and name HA) 3.1 0.6 0.6 volume=2.251 peak=2332 ppm1=0.683 ppm2=3.269 assign ( resid 4 and name HG2) ( resid 4 and name HA) 3.1 0.6 0.6 volume=2.257 peak=1119 ppm1=2.231 ppm2=4.306 assign ( resid 27 and name HA) ( resid 27 and name HB3) 3.4 0.7 0.7 volume=1.093 peak=765 ppm1=4.487 ppm2=1.799 assign ( resid 122 and name HB2) ( resid 122 and name HD3) 2.9 0.6 0.6 volume=2.799 peak=2076 ppm1=1.692 ppm2=1.808 assign ( resid 113 and name HE*) ( resid 84 and name HA) 3.2 0.6 0.6 volume=1.773 peak=3032 ppm1=2.086 ppm2=5.658 assign ( resid 121 and name HB2) ( resid 121 and name HA) 3.5 0.7 0.7 volume=1.067 peak=334 ppm1=1.738 ppm2=4.413 assign ( resid 29 and name HA) ( resid 28 and name HB2) 4.5 0.9 0.9 volume=0.232 peak=3129 ppm1=4.344 ppm2=1.930 assign ( resid 37 and name HB) ( resid 37 and name H) 4.1 0.8 0.8 volume=0.379 peak=520 ppm1=4.423 ppm2=7.306 assign ( resid 41 and name HB3) ( resid 41 and name HA) 3.5 0.7 0.7 volume=0.966 peak=1499 ppm1=2.257 ppm2=4.304 assign ( resid 62 and name HB2) ( resid 62 and name HA) 3.3 0.7 0.7 volume=1.518 peak=1296 ppm1=3.099 ppm2=4.518 assign ( resid 114 and name HG3) ( resid 114 and name HE2) 3.6 0.7 0.7 volume=0.820 peak=2974 ppm1=1.319 ppm2=2.987 assign ( resid 81 and name HB) ( resid 81 and name HG1*) 3.0 0.6 0.6 volume=2.786 peak=2157 ppm1=1.760 ppm2=0.781 assign ( resid 51 and name HB3) ( resid 51 and name H) 4.1 0.8 0.8 volume=0.393 peak=2306 ppm1=1.985 ppm2=9.528 assign ( resid 45 and name HA) ( resid 45 and name HB3) 3.9 0.8 0.8 volume=0.524 peak=597 ppm1=5.057 ppm2=2.431 assign ( resid 35 and name HB3) ( resid 35 and name HD3) 4.0 0.8 0.8 volume=0.440 peak=2648 ppm1=1.453 ppm2=1.345 assign ( resid 111 and name HB3) ( resid 112 and name H) 4.5 0.9 0.9 volume=0.227 peak=3371 ppm1=4.113 ppm2=6.713 assign ( resid 106 and name HG2*) ( resid 31 and name HB) 3.3 0.7 0.7 volume=1.315 peak=2322 ppm1=0.662 ppm2=1.869 assign ( resid 11 and name HB3) ( resid 12 and name H) 4.8 1.0 1.0 volume=0.144 peak=198 ppm1=3.131 ppm2=9.568 assign ( resid 35 and name HD2) ( resid 35 and name HE2) 3.5 0.7 0.7 volume=0.944 peak=719 ppm1=1.599 ppm2=2.896 assign ( resid 4 and name HG3) ( resid 4 and name H) 3.5 0.7 0.7 volume=0.999 peak=420 ppm1=2.240 ppm2=8.348 assign ( resid 114 and name HB2) ( resid 114 and name HD3) 2.5 0.5 0.5 volume=8.379 peak=1401 ppm1=1.744 ppm2=1.712 assign ( resid 108 and name HA) ( resid 109 and name HB2) 5.4 1.1 1.1 volume=0.077 peak=2529 ppm1=4.419 ppm2=1.992 assign ( resid 96 and name HG) ( resid 97 and name H) 5.4 1.1 1.1 volume=0.071 peak=444 ppm1=1.730 ppm2=9.609 assign ( resid 63 and name HA3) ( resid 62 and name HA) 4.8 1.0 1.0 volume=0.158 peak=829 ppm1=4.366 ppm2=4.531 assign ( resid 76 and name HG2*) ( resid 76 and name HB) 3.2 0.6 0.6 volume=1.656 peak=319 ppm1=0.611 ppm2=1.966 assign ( resid 98 and name HD3) ( resid 98 and name HB3) 3.2 0.6 0.6 volume=1.565 peak=679 ppm1=1.268 ppm2=1.436 assign ( resid 65 and name HB2) ( resid 66 and name H) 3.7 0.7 0.7 volume=0.777 peak=1648 ppm1=1.862 ppm2=8.108 assign ( resid 106 and name HA) ( resid 106 and name HG12) 4.1 0.8 0.8 volume=0.405 peak=1282 ppm1=3.809 ppm2=1.339 assign ( resid 35 and name HD2) ( resid 35 and name H) 4.6 0.9 0.9 volume=0.197 peak=1314 ppm1=1.599 ppm2=8.334 assign ( resid 17 and name HA) ( resid 17 and name HG3) 4.0 0.8 0.8 volume=0.436 peak=2924 ppm1=5.631 ppm2=1.792 assign ( resid 127 and name HG) ( resid 127 and name HD2*) 2.8 0.6 0.6 volume=3.436 peak=2943 ppm1=1.759 ppm2=0.823 assign ( resid 43 and name HA3) ( resid 43 and name H) 4.1 0.8 0.8 volume=0.375 peak=1736 ppm1=4.038 ppm2=9.201 assign ( resid 106 and name HG2*) ( resid 106 and name HA) 3.5 0.7 0.7 volume=0.953 peak=3285 ppm1=0.660 ppm2=3.809 assign ( resid 31 and name HA) ( resid 31 and name HB) 3.8 0.8 0.8 volume=0.615 peak=1351 ppm1=5.092 ppm2=1.876 assign ( resid 111 and name HA) ( resid 110 and name HB3) 4.7 0.9 0.9 volume=0.167 peak=2658 ppm1=3.889 ppm2=2.648 assign ( resid 35 and name HB3) ( resid 36 and name HD2) 4.6 0.9 0.9 volume=0.206 peak=1009 ppm1=1.454 ppm2=4.028 assign ( resid 3 and name HE*) ( resid 3 and name HB2) 3.3 0.7 0.7 volume=1.308 peak=944 ppm1=1.939 ppm2=1.722 assign ( resid 71 and name HB3) ( resid 71 and name HD21) 4.1 0.8 0.8 volume=0.415 peak=1542 ppm1=1.762 ppm2=7.448 assign ( resid 106 and name HG2*) ( resid 106 and name HB) 3.2 0.6 0.6 volume=1.583 peak=3341 ppm1=0.658 ppm2=1.719 assign ( resid 115 and name HA) ( resid 116 and name H) 4.0 0.8 0.8 volume=0.471 peak=1104 ppm1=3.951 ppm2=8.670 assign ( resid 120 and name HA) ( resid 120 and name H) 3.9 0.8 0.8 volume=0.509 peak=1433 ppm1=3.658 ppm2=7.304 assign ( resid 114 and name HA) ( resid 113 and name HB3) 3.8 0.8 0.8 volume=0.566 peak=3378 ppm1=2.797 ppm2=1.379 assign ( resid 42 and name HB*) ( resid 129 and name HB3) 4.0 0.8 0.8 volume=0.423 peak=379 ppm1=1.424 ppm2=3.196 assign ( resid 128 and name HA) ( resid 128 and name HB) 5.0 1.0 1.0 volume=0.119 peak=1660 ppm1=5.050 ppm2=2.468 assign ( resid 6 and name HG2*) ( resid 7 and name H) 3.2 0.6 0.6 volume=1.634 peak=1425 ppm1=1.590 ppm2=8.655 assign ( resid 114 and name HA) ( resid 114 and name HD3) 3.1 0.6 0.6 volume=2.181 peak=3270 ppm1=2.799 ppm2=1.730 assign ( resid 70 and name HG2*) ( resid 74 and name H) 4.6 0.9 0.9 volume=0.188 peak=2449 ppm1=0.512 ppm2=7.928 assign ( resid 95 and name HB2) ( resid 96 and name HA) 4.6 0.9 0.9 volume=0.205 peak=16 ppm1=2.602 ppm2=3.875 assign ( resid 110 and name HB3) ( resid 110 and name HG2) 3.6 0.7 0.7 volume=0.816 peak=1535 ppm1=2.648 ppm2=2.366 assign ( resid 116 and name HB2) ( resid 116 and name HD2*) 3.4 0.7 0.7 volume=1.153 peak=383 ppm1=1.230 ppm2=0.627 assign ( resid 98 and name HD2) ( resid 98 and name HE2) 3.1 0.6 0.6 volume=2.139 peak=1810 ppm1=1.242 ppm2=2.744 assign ( resid 125 and name HD2) ( resid 125 and name HB2) 4.1 0.8 0.8 volume=0.409 peak=1619 ppm1=4.465 ppm2=2.338 assign ( resid 109 and name HG2) ( resid 29 and name HG1) 5.1 1.0 1.0 volume=0.108 peak=2134 ppm1=-0.103 ppm2=5.505 assign ( resid 96 and name HA) ( resid 96 and name HD2*) 3.1 0.6 0.6 volume=2.221 peak=119 ppm1=3.874 ppm2=0.725 assign ( resid 17 and name HB3) ( resid 18 and name H) 4.9 1.0 1.0 volume=0.132 peak=1149 ppm1=1.475 ppm2=9.650 assign ( resid 11 and name HA) ( resid 12 and name HA) 4.7 0.9 0.9 volume=0.160 peak=722 ppm1=4.261 ppm2=3.708 assign ( resid 13 and name HG3) ( resid 14 and name H) 4.5 0.9 0.9 volume=0.227 peak=272 ppm1=2.351 ppm2=7.737 assign ( resid 70 and name HG2*) ( resid 54 and name HB*) 2.9 0.6 0.6 volume=3.200 peak=2718 ppm1=0.513 ppm2=0.914 assign ( resid 114 and name HA) ( resid 113 and name HA) 4.6 0.9 0.9 volume=0.198 peak=605 ppm1=2.797 ppm2=4.093 assign ( resid 12 and name HD2*) ( resid 12 and name HA) 3.0 0.6 0.6 volume=2.752 peak=978 ppm1=0.410 ppm2=3.713 assign ( resid 41 and name HD2) ( resid 41 and name HB3) 3.9 0.8 0.8 volume=0.554 peak=3497 ppm1=3.619 ppm2=2.257 assign ( resid 115 and name HG3) ( resid 115 and name HB3) 2.6 0.5 0.5 volume=6.302 peak=466 ppm1=2.198 ppm2=2.004 assign ( resid 122 and name HD3) ( resid 122 and name HE2) 3.3 0.7 0.7 volume=1.311 peak=1284 ppm1=1.808 ppm2=3.049 assign ( resid 70 and name HG2*) ( resid 70 and name HA) 3.4 0.7 0.7 volume=1.150 peak=989 ppm1=0.514 ppm2=4.727 assign ( resid 92 and name HB2) ( resid 92 and name HA) 4.2 0.8 0.8 volume=0.316 peak=360 ppm1=2.563 ppm2=4.437 assign ( resid 27 and name HB3) ( resid 27 and name HG) 3.5 0.7 0.7 volume=1.077 peak=630 ppm1=1.787 ppm2=1.535 assign ( resid 70 and name HG1*) ( resid 70 and name HA) 3.0 0.6 0.6 volume=2.472 peak=2114 ppm1=0.752 ppm2=4.745 assign ( resid 22 and name HB2) ( resid 23 and name HA2) 3.5 0.7 0.7 volume=0.982 peak=1993 ppm1=2.675 ppm2=4.211 assign ( resid 19 and name HB3) ( resid 19 and name HA) 4.5 0.9 0.9 volume=0.237 peak=1557 ppm1=2.737 ppm2=5.362 assign ( resid 57 and name HB2) ( resid 57 and name H) 3.7 0.7 0.7 volume=0.724 peak=3119 ppm1=1.458 ppm2=8.076 assign ( resid 39 and name HB3) ( resid 39 and name HG2) 2.9 0.6 0.6 volume=2.841 peak=3204 ppm1=1.831 ppm2=1.830 assign ( resid 29 and name HG2*) ( resid 28 and name HA) 3.8 0.8 0.8 volume=0.622 peak=2273 ppm1=0.561 ppm2=4.982 assign ( resid 35 and name HD3) ( resid 35 and name HG3) 3.1 0.6 0.6 volume=1.893 peak=2790 ppm1=1.345 ppm2=1.598 assign ( resid 47 and name HB) ( resid 47 and name HG1*) 3.1 0.6 0.6 volume=2.119 peak=2661 ppm1=1.957 ppm2=0.722 assign ( resid 110 and name HD2) ( resid 109 and name HA) 3.9 0.8 0.8 volume=0.512 peak=1472 ppm1=3.926 ppm2=4.442 assign ( resid 42 and name HB*) ( resid 129 and name H) 4.6 0.9 0.9 volume=0.197 peak=2033 ppm1=1.420 ppm2=8.827 assign ( resid 106 and name HG13) ( resid 106 and name HA) 4.2 0.8 0.8 volume=0.348 peak=3089 ppm1=0.897 ppm2=3.809 assign ( resid 24 and name HG2) ( resid 24 and name HE2) 3.7 0.7 0.7 volume=0.771 peak=249 ppm1=1.408 ppm2=3.044 assign ( resid 107 and name HB2) ( resid 107 and name H) 4.5 0.9 0.9 volume=0.211 peak=1806 ppm1=3.438 ppm2=8.991 assign ( resid 75 and name HG3) ( resid 75 and name HD3) 4.4 0.9 0.9 volume=0.255 peak=1277 ppm1=0.774 ppm2=1.009 assign ( resid 8 and name HA) ( resid 8 and name HB) 4.0 0.8 0.8 volume=0.477 peak=139 ppm1=5.313 ppm2=1.887 assign ( resid 6 and name HA) ( resid 6 and name H) 4.3 0.9 0.9 volume=0.311 peak=2175 ppm1=5.223 ppm2=7.726 assign ( resid 92 and name HB2) ( resid 92 and name HD*) 4.7 0.9 0.9 volume=0.161 peak=2687 ppm1=2.563 ppm2=6.762 assign ( resid 82 and name HA3) ( resid 83 and name H) 4.7 0.9 0.9 volume=0.177 peak=969 ppm1=3.949 ppm2=8.297 assign ( resid 122 and name HG3) ( resid 122 and name HD3) 3.3 0.7 0.7 volume=1.555 peak=411 ppm1=1.379 ppm2=1.808 assign ( resid 125 and name HD2) ( resid 125 and name HB3) 4.5 0.9 0.9 volume=0.217 peak=694 ppm1=4.465 ppm2=1.935 assign ( resid 89 and name HA) ( resid 90 and name HG2) 3.7 0.7 0.7 volume=0.663 peak=2354 ppm1=5.209 ppm2=1.966 assign ( resid 65 and name HD3) ( resid 65 and name HG2) 3.1 0.6 0.6 volume=2.059 peak=776 ppm1=3.703 ppm2=2.003 assign ( resid 71 and name HB2) ( resid 72 and name HD*) 4.8 1.0 1.0 volume=0.144 peak=3363 ppm1=2.437 ppm2=5.745 assign ( resid 120 and name HA) ( resid 120 and name HG1*) 3.4 0.7 0.7 volume=1.111 peak=2700 ppm1=3.658 ppm2=0.167 assign ( resid 6 and name HG2*) ( resid 5 and name HB2) 4.2 0.8 0.8 volume=0.324 peak=310 ppm1=1.593 ppm2=2.701 assign ( resid 56 and name HD2*) ( resid 84 and name HB2) 4.6 0.9 0.9 volume=0.182 peak=956 ppm1=-0.089 ppm2=3.725 assign ( resid 61 and name HA) ( resid 62 and name HB3) 3.0 0.6 0.6 volume=2.290 peak=1107 ppm1=4.379 ppm2=2.626 assign ( resid 6 and name HB) ( resid 7 and name H) 4.3 0.9 0.9 volume=0.272 peak=3138 ppm1=4.196 ppm2=8.655 assign ( resid 13 and name HG2) ( resid 14 and name H) 4.2 0.8 0.8 volume=0.323 peak=580 ppm1=2.275 ppm2=7.737 assign ( resid 58 and name HA3) ( resid 57 and name HA) 4.6 0.9 0.9 volume=0.206 peak=3258 ppm1=3.369 ppm2=4.621 assign ( resid 24 and name HB2) ( resid 24 and name HG2) 2.9 0.6 0.6 volume=3.070 peak=3525 ppm1=1.686 ppm2=1.423 assign ( resid 39 and name HD2) ( resid 39 and name HA) 4.6 0.9 0.9 volume=0.202 peak=1635 ppm1=3.424 ppm2=4.183 assign ( resid 129 and name HB3) ( resid 129 and name HA) 3.3 0.7 0.7 volume=1.352 peak=884 ppm1=3.198 ppm2=4.809 assign ( resid 75 and name HA) ( resid 76 and name H) 4.0 0.8 0.8 volume=0.450 peak=3426 ppm1=3.419 ppm2=8.186 assign ( resid 113 and name HB2) ( resid 114 and name H) 4.6 0.9 0.9 volume=0.190 peak=1828 ppm1=2.173 ppm2=7.511 assign ( resid 24 and name HG2) ( resid 24 and name H) 3.5 0.7 0.7 volume=1.003 peak=425 ppm1=1.408 ppm2=7.606 assign ( resid 122 and name HB3) ( resid 122 and name HG2) 3.5 0.7 0.7 volume=1.039 peak=1459 ppm1=1.695 ppm2=1.070 assign ( resid 96 and name HB3) ( resid 96 and name HG) 4.0 0.8 0.8 volume=0.449 peak=1021 ppm1=1.130 ppm2=1.729 assign ( resid 75 and name HD3) ( resid 75 and name HG3) 4.1 0.8 0.8 volume=0.372 peak=1863 ppm1=1.017 ppm2=0.763 assign ( resid 117 and name HA) ( resid 116 and name H) 4.6 0.9 0.9 volume=0.198 peak=2068 ppm1=3.784 ppm2=8.667 assign ( resid 96 and name HD1*) ( resid 96 and name HA) 3.7 0.7 0.7 volume=0.749 peak=876 ppm1=0.623 ppm2=3.872 assign ( resid 77 and name HA) ( resid 77 and name H) 4.5 0.9 0.9 volume=0.231 peak=705 ppm1=4.686 ppm2=7.539 assign ( resid 70 and name HG1*) ( resid 56 and name HD1*) 4.1 0.8 0.8 volume=0.399 peak=732 ppm1=0.752 ppm2=-0.695 assign ( resid 119 and name HE*) ( resid 27 and name HB3) 3.0 0.6 0.6 volume=2.482 peak=2379 ppm1=2.078 ppm2=1.785 assign ( resid 54 and name HA) ( resid 54 and name H) 3.7 0.7 0.7 volume=0.760 peak=2339 ppm1=4.499 ppm2=7.105 assign ( resid 71 and name HA) ( resid 71 and name HD21) 4.6 0.9 0.9 volume=0.194 peak=3361 ppm1=4.311 ppm2=7.447 assign ( resid 15 and name HG3) ( resid 15 and name HE21) 5.0 1.0 1.0 volume=0.125 peak=154 ppm1=2.936 ppm2=7.487 assign ( resid 90 and name HA) ( resid 89 and name HB3) 4.3 0.9 0.9 volume=0.300 peak=2736 ppm1=4.493 ppm2=1.639 assign ( resid 71 and name HB2) ( resid 71 and name HD22) 3.7 0.7 0.7 volume=0.675 peak=2022 ppm1=2.436 ppm2=6.957 assign ( resid 90 and name HB3) ( resid 90 and name HG3) 2.8 0.6 0.6 volume=3.663 peak=1731 ppm1=2.305 ppm2=2.077 assign ( resid 69 and name HB2) ( resid 69 and name HG3) 2.4 0.5 0.5 volume=9.611 peak=1013 ppm1=2.182 ppm2=2.181 assign ( resid 57 and name HG3) ( resid 57 and name HD3) 3.0 0.6 0.6 volume=2.724 peak=2831 ppm1=1.153 ppm2=1.518 assign ( resid 52 and name HB2) ( resid 52 and name H) 3.7 0.7 0.7 volume=0.716 peak=682 ppm1=1.795 ppm2=8.635 assign ( resid 120 and name HG2*) ( resid 120 and name H) 3.5 0.7 0.7 volume=1.021 peak=320 ppm1=0.583 ppm2=7.301 assign ( resid 5 and name HB2) ( resid 5 and name HA) 3.1 0.6 0.6 volume=2.208 peak=2190 ppm1=2.693 ppm2=4.677 assign ( resid 20 and name HA) ( resid 19 and name HB2) 3.4 0.7 0.7 volume=1.132 peak=336 ppm1=4.450 ppm2=2.558 assign ( resid 18 and name HB3) ( resid 18 and name H) 4.4 0.9 0.9 volume=0.249 peak=526 ppm1=3.300 ppm2=9.629 assign ( resid 18 and name HA) ( resid 18 and name H) 5.6 1.1 1.1 volume=0.057 peak=1696 ppm1=4.955 ppm2=9.640 assign ( resid 50 and name HB3) ( resid 50 and name H) 4.3 0.9 0.9 volume=0.273 peak=3247 ppm1=1.320 ppm2=7.523 assign ( resid 14 and name HB2) ( resid 14 and name HD22) 3.8 0.8 0.8 volume=0.612 peak=3314 ppm1=2.867 ppm2=9.010 assign ( resid 29 and name HG2*) ( resid 29 and name HB) 3.1 0.6 0.6 volume=2.062 peak=3234 ppm1=0.561 ppm2=3.961 assign ( resid 58 and name HA3) ( resid 59 and name H) 3.4 0.7 0.7 volume=1.210 peak=2316 ppm1=3.369 ppm2=8.484 assign ( resid 66 and name HB3) ( resid 66 and name HA) 3.4 0.7 0.7 volume=1.129 peak=634 ppm1=2.565 ppm2=4.895 assign ( resid 87 and name HB2) ( resid 86 and name HA) 4.6 0.9 0.9 volume=0.185 peak=973 ppm1=2.959 ppm2=3.626 assign ( resid 42 and name HB*) ( resid 12 and name HD1*) 3.2 0.6 0.6 volume=1.586 peak=1413 ppm1=1.422 ppm2=0.569 assign ( resid 52 and name HA) ( resid 53 and name HB2) 3.6 0.7 0.7 volume=0.814 peak=2429 ppm1=4.933 ppm2=2.765 assign ( resid 73 and name HB3) ( resid 73 and name HA) 4.4 0.9 0.9 volume=0.255 peak=2342 ppm1=2.814 ppm2=5.757 assign ( resid 94 and name HA3) ( resid 94 and name H) 3.9 0.8 0.8 volume=0.544 peak=2099 ppm1=3.978 ppm2=8.641 assign ( resid 51 and name HG2) ( resid 51 and name HB2) 1.9 0.1 0.4 volume=44.042 peak=716 ppm1=2.215 ppm2=2.191 assign ( resid 121 and name HB2) ( resid 121 and name HG3) 3.2 0.6 0.6 volume=1.693 peak=3411 ppm1=1.735 ppm2=2.251 assign ( resid 21 and name HA) ( resid 20 and name HA) 3.2 0.6 0.6 volume=1.847 peak=1201 ppm1=4.545 ppm2=4.450 assign ( resid 70 and name HG2*) ( resid 71 and name HD22) 4.6 0.9 0.9 volume=0.186 peak=1574 ppm1=0.512 ppm2=6.948 assign ( resid 24 and name HE3) ( resid 24 and name HD3) 2.4 0.5 0.5 volume=9.061 peak=2438 ppm1=2.992 ppm2=1.670 assign ( resid 51 and name HB3) ( resid 52 and name H) 3.7 0.7 0.7 volume=0.734 peak=2760 ppm1=1.984 ppm2=8.645 assign ( resid 117 and name HB2) ( resid 118 and name HA2) 4.3 0.9 0.9 volume=0.293 peak=1441 ppm1=2.436 ppm2=3.811 assign ( resid 70 and name HG2*) ( resid 73 and name H) 4.4 0.9 0.9 volume=0.242 peak=1855 ppm1=0.511 ppm2=9.011 assign ( resid 55 and name HA) ( resid 55 and name HG2*) 3.3 0.7 0.7 volume=1.520 peak=2406 ppm1=4.347 ppm2=0.803 assign ( resid 53 and name HB3) ( resid 54 and name H) 4.2 0.8 0.8 volume=0.316 peak=98 ppm1=2.592 ppm2=7.109 assign ( resid 106 and name HD1*) ( resid 106 and name HG12) 3.0 0.6 0.6 volume=2.548 peak=1750 ppm1=0.624 ppm2=1.344 assign ( resid 24 and name HB2) ( resid 24 and name HD2) 2.3 0.5 0.5 volume=11.438 peak=2445 ppm1=1.689 ppm2=1.708 assign ( resid 4 and name HA) ( resid 4 and name HG2) 3.2 0.6 0.6 volume=1.737 peak=1592 ppm1=4.308 ppm2=2.212 assign ( resid 75 and name HD2) ( resid 75 and name HG2) 4.4 0.9 0.9 volume=0.261 peak=269 ppm1=3.145 ppm2=0.235 assign ( resid 109 and name HA) ( resid 109 and name HG2) 4.7 0.9 0.9 volume=0.172 peak=196 ppm1=4.442 ppm2=-0.094 assign ( resid 113 and name HE*) ( resid 116 and name HD2*) 2.9 0.6 0.6 volume=3.262 peak=588 ppm1=2.085 ppm2=0.626 assign ( resid 91 and name HB2) ( resid 91 and name HG3) 3.1 0.6 0.6 volume=2.039 peak=1048 ppm1=1.649 ppm2=2.135 assign ( resid 122 and name HG3) ( resid 122 and name HE3) 3.7 0.7 0.7 volume=0.698 peak=2460 ppm1=1.379 ppm2=3.129 assign ( resid 101 and name HA3) ( resid 100 and name HA) 4.6 0.9 0.9 volume=0.194 peak=228 ppm1=4.237 ppm2=4.790 assign ( resid 30 and name HA) ( resid 29 and name HB) 5.0 1.0 1.0 volume=0.115 peak=996 ppm1=5.336 ppm2=3.968 assign ( resid 69 and name HD2) ( resid 69 and name HB2) 3.3 0.7 0.7 volume=1.478 peak=2665 ppm1=3.745 ppm2=2.182 assign ( resid 50 and name HG2) ( resid 50 and name HB3) 3.7 0.7 0.7 volume=0.763 peak=1437 ppm1=0.710 ppm2=1.304 assign ( resid 59 and name HB) ( resid 58 and name HA3) 4.4 0.9 0.9 volume=0.255 peak=3321 ppm1=3.867 ppm2=3.369 assign ( resid 45 and name HA) ( resid 46 and name H) 3.9 0.8 0.8 volume=0.524 peak=575 ppm1=5.057 ppm2=7.920 assign ( resid 64 and name HG2*) ( resid 64 and name HB) 2.8 0.6 0.6 volume=3.890 peak=1469 ppm1=1.263 ppm2=4.320 assign ( resid 37 and name HG2*) ( resid 37 and name HB) 2.8 0.6 0.6 volume=4.154 peak=1649 ppm1=1.281 ppm2=4.436 assign ( resid 27 and name HB2) ( resid 28 and name H) 4.0 0.8 0.8 volume=0.438 peak=3379 ppm1=1.384 ppm2=8.456 assign ( resid 72 and name HA) ( resid 72 and name HB2) 3.5 0.7 0.7 volume=0.967 peak=1632 ppm1=4.485 ppm2=2.711 assign ( resid 31 and name HD1*) ( resid 31 and name H) 3.8 0.8 0.8 volume=0.575 peak=1890 ppm1=0.447 ppm2=7.639 assign ( resid 99 and name HA) ( resid 99 and name HG2*) 2.8 0.6 0.6 volume=3.437 peak=2146 ppm1=4.479 ppm2=1.099 assign ( resid 124 and name HG2*) ( resid 19 and name HD*) 4.2 0.8 0.8 volume=0.337 peak=699 ppm1=1.566 ppm2=6.865 assign ( resid 44 and name HB) ( resid 45 and name H) 4.5 0.9 0.9 volume=0.218 peak=1825 ppm1=1.779 ppm2=9.265 assign ( resid 109 and name HA) ( resid 110 and name HD3) 3.5 0.7 0.7 volume=1.012 peak=954 ppm1=4.442 ppm2=3.832 assign ( resid 115 and name HB2) ( resid 115 and name HG3) 2.9 0.6 0.6 volume=3.427 peak=3075 ppm1=2.012 ppm2=2.190 assign ( resid 21 and name HE2) ( resid 21 and name HD3) 2.6 0.5 0.5 volume=5.433 peak=1101 ppm1=3.009 ppm2=1.758 assign ( resid 110 and name HD3) ( resid 110 and name HA) 3.7 0.7 0.7 volume=0.777 peak=1421 ppm1=3.832 ppm2=3.981 assign ( resid 65 and name HB3) ( resid 65 and name HG3) 2.8 0.6 0.6 volume=3.627 peak=2139 ppm1=2.238 ppm2=2.019 assign ( resid 55 and name HA) ( resid 56 and name HB3) 4.4 0.9 0.9 volume=0.244 peak=2161 ppm1=4.347 ppm2=1.160 assign ( resid 27 and name HD2*) ( resid 115 and name H) 4.0 0.8 0.8 volume=0.451 peak=1552 ppm1=0.820 ppm2=6.759 assign ( resid 2 and name HB2) ( resid 2 and name HA) 3.3 0.7 0.7 volume=1.337 peak=750 ppm1=3.144 ppm2=4.639 assign ( resid 113 and name HB2) ( resid 113 and name HG2) 3.3 0.7 0.7 volume=1.396 peak=1532 ppm1=2.173 ppm2=2.153 assign ( resid 9 and name HB2) ( resid 9 and name HA) 4.1 0.8 0.8 volume=0.376 peak=612 ppm1=2.455 ppm2=5.760 assign ( resid 47 and name HG2*) ( resid 47 and name HA) 3.5 0.7 0.7 volume=1.075 peak=2488 ppm1=0.676 ppm2=4.035 assign ( resid 26 and name HA) ( resid 26 and name HB*) 2.7 0.5 0.5 volume=4.591 peak=880 ppm1=4.449 ppm2=1.263 assign ( resid 102 and name HB3) ( resid 103 and name H) 4.7 0.9 0.9 volume=0.161 peak=1160 ppm1=3.771 ppm2=8.943 assign ( resid 3 and name HA) ( resid 3 and name HG2) 3.3 0.7 0.7 volume=1.415 peak=3146 ppm1=4.346 ppm2=2.360 assign ( resid 86 and name HA) ( resid 70 and name HG1*) 4.9 1.0 1.0 volume=0.138 peak=3252 ppm1=3.621 ppm2=0.766 assign ( resid 54 and name HB*) ( resid 54 and name H) 2.9 0.6 0.6 volume=2.867 peak=1905 ppm1=0.909 ppm2=7.123 assign ( resid 64 and name HA) ( resid 63 and name HA2) 4.0 0.8 0.8 volume=0.427 peak=1322 ppm1=4.567 ppm2=3.616 assign ( resid 45 and name HA) ( resid 45 and name HB2) 3.7 0.7 0.7 volume=0.668 peak=2897 ppm1=5.057 ppm2=3.982 assign ( resid 122 and name HD2) ( resid 122 and name HE2) 3.4 0.7 0.7 volume=1.299 peak=2729 ppm1=1.832 ppm2=3.049 assign ( resid 23 and name HA2) ( resid 24 and name HB2) 4.3 0.9 0.9 volume=0.300 peak=271 ppm1=4.211 ppm2=1.689 assign ( resid 90 and name HD3) ( resid 89 and name HB3) 4.8 1.0 1.0 volume=0.152 peak=1359 ppm1=3.998 ppm2=1.634 assign ( resid 25 and name HG1*) ( resid 25 and name H) 3.2 0.6 0.6 volume=1.839 peak=13 ppm1=0.797 ppm2=8.700 assign ( resid 109 and name HD3) ( resid 109 and name HB3) 4.2 0.8 0.8 volume=0.353 peak=878 ppm1=3.057 ppm2=1.330 assign ( resid 65 and name HG3) ( resid 65 and name HB3) 2.9 0.6 0.6 volume=2.832 peak=1629 ppm1=2.019 ppm2=2.238 assign ( resid 27 and name HB3) ( resid 27 and name HD1*) 3.7 0.7 0.7 volume=0.745 peak=2983 ppm1=1.787 ppm2=0.640 assign ( resid 113 and name HB2) ( resid 113 and name HG3) 4.4 0.9 0.9 volume=0.258 peak=972 ppm1=2.173 ppm2=3.546 assign ( resid 96 and name HD2*) ( resid 96 and name H) 3.5 0.7 0.7 volume=1.055 peak=926 ppm1=0.727 ppm2=7.917 assign ( resid 70 and name HA) ( resid 70 and name HG1*) 3.5 0.7 0.7 volume=1.040 peak=66 ppm1=4.730 ppm2=0.742 assign ( resid 50 and name HE3) ( resid 50 and name HD2) 3.1 0.6 0.6 volume=2.170 peak=1578 ppm1=3.024 ppm2=1.820 assign ( resid 15 and name HA) ( resid 15 and name HB3) 4.3 0.9 0.9 volume=0.283 peak=1970 ppm1=3.387 ppm2=2.524 assign ( resid 77 and name HB2) ( resid 77 and name H) 5.2 1.0 1.0 volume=0.098 peak=2226 ppm1=3.201 ppm2=7.539 assign ( resid 64 and name HB) ( resid 64 and name HG2*) 2.9 0.6 0.6 volume=3.068 peak=1805 ppm1=4.335 ppm2=1.264 assign ( resid 97 and name HB2) ( resid 98 and name HA) 4.1 0.8 0.8 volume=0.390 peak=714 ppm1=3.212 ppm2=3.084 assign ( resid 88 and name HB3) ( resid 88 and name HE1) 5.4 1.1 1.1 volume=0.077 peak=1465 ppm1=3.341 ppm2=10.893 assign ( resid 112 and name HG2*) ( resid 112 and name H) 3.6 0.7 0.7 volume=0.866 peak=1275 ppm1=0.667 ppm2=6.733 assign ( resid 5 and name HA) ( resid 6 and name H) 3.6 0.7 0.7 volume=0.854 peak=1060 ppm1=4.677 ppm2=7.726 assign ( resid 116 and name HB3) ( resid 116 and name HG) 3.8 0.8 0.8 volume=0.623 peak=3010 ppm1=1.769 ppm2=1.144 assign ( resid 3 and name HA) ( resid 4 and name H) 3.1 0.6 0.6 volume=2.160 peak=1264 ppm1=4.345 ppm2=8.348 assign ( resid 113 and name HB2) ( resid 113 and name HE*) 4.1 0.8 0.8 volume=0.371 peak=3084 ppm1=2.173 ppm2=2.084 assign ( resid 109 and name HB2) ( resid 108 and name HA) 3.9 0.8 0.8 volume=0.557 peak=2290 ppm1=2.015 ppm2=4.417 assign ( resid 45 and name HA) ( resid 45 and name HD*) 3.9 0.8 0.8 volume=0.531 peak=3128 ppm1=5.057 ppm2=7.135 assign ( resid 19 and name HA) ( resid 20 and name HB3) 4.1 0.8 0.8 volume=0.376 peak=2541 ppm1=5.371 ppm2=1.867 assign ( resid 28 and name HB2) ( resid 29 and name H) 4.5 0.9 0.9 volume=0.218 peak=850 ppm1=1.930 ppm2=8.024 assign ( resid 18 and name HA) ( resid 18 and name HB2) 3.7 0.7 0.7 volume=0.709 peak=1764 ppm1=4.955 ppm2=2.672 assign ( resid 52 and name HG2) ( resid 52 and name HB2) 3.3 0.7 0.7 volume=1.493 peak=2071 ppm1=2.349 ppm2=1.814 assign ( resid 48 and name HB2) ( resid 49 and name H) 4.8 1.0 1.0 volume=0.158 peak=3086 ppm1=2.790 ppm2=7.246 assign ( resid 24 and name HD2) ( resid 24 and name HG3) 2.9 0.6 0.6 volume=3.370 peak=1007 ppm1=1.708 ppm2=1.386 assign ( resid 126 and name HA) ( resid 126 and name HG1*) 3.6 0.7 0.7 volume=0.895 peak=1580 ppm1=4.938 ppm2=0.867 assign ( resid 122 and name HB3) ( resid 122 and name HD3) 2.9 0.6 0.6 volume=3.035 peak=800 ppm1=1.698 ppm2=1.808 assign ( resid 12 and name HA) ( resid 12 and name HB3) 3.7 0.7 0.7 volume=0.698 peak=3528 ppm1=3.701 ppm2=0.946 assign ( resid 19 and name HB2) ( resid 19 and name HD*) 4.1 0.8 0.8 volume=0.410 peak=993 ppm1=2.562 ppm2=6.864 assign ( resid 15 and name HB3) ( resid 15 and name HA) 5.2 1.0 1.0 volume=0.091 peak=831 ppm1=2.533 ppm2=3.383 assign ( resid 83 and name HG13) ( resid 83 and name HB) 3.8 0.8 0.8 volume=0.654 peak=1392 ppm1=0.703 ppm2=1.461 assign ( resid 36 and name HB2) ( resid 36 and name HG2) 3.8 0.8 0.8 volume=0.633 peak=922 ppm1=2.519 ppm2=1.838 assign ( resid 76 and name HD1*) ( resid 76 and name HA) 4.1 0.8 0.8 volume=0.378 peak=2230 ppm1=0.149 ppm2=5.598 assign ( resid 114 and name HD3) ( resid 114 and name HA) 4.1 0.8 0.8 volume=0.393 peak=2506 ppm1=1.712 ppm2=2.797 assign ( resid 64 and name HA) ( resid 64 and name HG2*) 3.2 0.6 0.6 volume=1.751 peak=2284 ppm1=4.569 ppm2=1.278 assign ( resid 42 and name HB*) ( resid 12 and name HD2*) 4.2 0.8 0.8 volume=0.344 peak=2721 ppm1=1.422 ppm2=0.430 assign ( resid 39 and name HG2) ( resid 39 and name HB3) 2.7 0.5 0.5 volume=4.734 peak=1165 ppm1=1.830 ppm2=1.831 assign ( resid 29 and name HA) ( resid 29 and name HG1) 3.8 0.8 0.8 volume=0.657 peak=456 ppm1=4.345 ppm2=5.509 assign ( resid 57 and name HD2) ( resid 57 and name HE3) 2.9 0.6 0.6 volume=2.835 peak=3461 ppm1=1.506 ppm2=2.783 assign ( resid 28 and name HB3) ( resid 28 and name HA) 3.8 0.8 0.8 volume=0.574 peak=2903 ppm1=1.530 ppm2=4.983 assign ( resid 121 and name HB2) ( resid 122 and name H) 4.0 0.8 0.8 volume=0.463 peak=26 ppm1=1.734 ppm2=9.207 assign ( resid 25 and name HG2*) ( resid 18 and name HE1) 4.2 0.8 0.8 volume=0.324 peak=2863 ppm1=0.682 ppm2=10.282 assign ( resid 75 and name HG3) ( resid 75 and name HD2) 4.7 0.9 0.9 volume=0.174 peak=576 ppm1=0.774 ppm2=3.139 assign ( resid 35 and name HA) ( resid 35 and name HG2) 4.4 0.9 0.9 volume=0.261 peak=1967 ppm1=5.117 ppm2=1.145 assign ( resid 26 and name HA) ( resid 27 and name H) 3.9 0.8 0.8 volume=0.528 peak=3045 ppm1=4.450 ppm2=7.655 assign ( resid 22 and name HB2) ( resid 22 and name H) 4.3 0.9 0.9 volume=0.272 peak=1046 ppm1=2.674 ppm2=8.654 assign ( resid 57 and name HD3) ( resid 57 and name HG2) 2.8 0.6 0.6 volume=3.685 peak=1194 ppm1=1.518 ppm2=1.133 assign ( resid 114 and name HG3) ( resid 114 and name HE3) 3.6 0.7 0.7 volume=0.808 peak=464 ppm1=1.319 ppm2=3.015 assign ( resid 74 and name HE*) ( resid 116 and name HG) 3.0 0.6 0.6 volume=2.548 peak=487 ppm1=1.642 ppm2=1.148 assign ( resid 75 and name HA) ( resid 75 and name HB2) 3.9 0.8 0.8 volume=0.544 peak=1463 ppm1=3.419 ppm2=1.570 assign ( resid 17 and name HA) ( resid 18 and name H) 3.7 0.7 0.7 volume=0.694 peak=1614 ppm1=5.630 ppm2=9.639 assign ( resid 23 and name HA2) ( resid 23 and name H) 3.4 0.7 0.7 volume=1.168 peak=3057 ppm1=4.209 ppm2=8.851 assign ( resid 110 and name HB2) ( resid 111 and name H) 4.8 1.0 1.0 volume=0.159 peak=2010 ppm1=2.128 ppm2=8.925 assign ( resid 41 and name HA) ( resid 41 and name HG2) 3.2 0.6 0.6 volume=1.834 peak=213 ppm1=4.305 ppm2=2.033 assign ( resid 15 and name HB3) ( resid 16 and name H) 4.5 0.9 0.9 volume=0.219 peak=2565 ppm1=2.533 ppm2=8.058 assign ( resid 127 and name HA) ( resid 127 and name HD1*) 3.2 0.6 0.6 volume=1.692 peak=3067 ppm1=5.068 ppm2=0.853 assign ( resid 121 and name HA) ( resid 122 and name H) 3.3 0.7 0.7 volume=1.330 peak=2972 ppm1=4.413 ppm2=9.207 assign ( resid 12 and name HB2) ( resid 12 and name HD2*) 3.8 0.8 0.8 volume=0.599 peak=3103 ppm1=1.807 ppm2=0.409 assign ( resid 127 and name HG) ( resid 127 and name HB3) 2.8 0.6 0.6 volume=3.845 peak=2079 ppm1=1.755 ppm2=1.858 assign ( resid 116 and name HD1*) ( resid 116 and name H) 3.9 0.8 0.8 volume=0.519 peak=534 ppm1=0.382 ppm2=8.671 assign ( resid 128 and name HB) ( resid 129 and name H) 5.0 1.0 1.0 volume=0.121 peak=1988 ppm1=2.468 ppm2=8.830 assign ( resid 90 and name HD2) ( resid 90 and name HG3) 3.6 0.7 0.7 volume=0.871 peak=18 ppm1=4.110 ppm2=2.077 assign ( resid 122 and name HD3) ( resid 122 and name HA) 4.7 0.9 0.9 volume=0.163 peak=28 ppm1=1.808 ppm2=3.688 assign ( resid 24 and name HD3) ( resid 24 and name HE2) 3.4 0.7 0.7 volume=1.220 peak=512 ppm1=1.670 ppm2=3.044 assign ( resid 21 and name HG3) ( resid 21 and name HD2) 3.1 0.6 0.6 volume=2.262 peak=2301 ppm1=1.203 ppm2=1.606 assign ( resid 44 and name HA) ( resid 44 and name HG1*) 3.1 0.6 0.6 volume=2.253 peak=1508 ppm1=4.470 ppm2=0.811 assign ( resid 76 and name HD1*) ( resid 83 and name H) 4.2 0.8 0.8 volume=0.355 peak=2796 ppm1=0.151 ppm2=8.281 assign ( resid 17 and name HB3) ( resid 17 and name HG2) 4.6 0.9 0.9 volume=0.205 peak=573 ppm1=1.477 ppm2=2.262 assign ( resid 46 and name HA) ( resid 47 and name H) 3.8 0.8 0.8 volume=0.597 peak=1723 ppm1=5.176 ppm2=8.279 assign ( resid 115 and name HB3) ( resid 115 and name H) 3.2 0.6 0.6 volume=1.814 peak=2128 ppm1=2.007 ppm2=6.770 assign ( resid 82 and name HA2) ( resid 82 and name H) 4.6 0.9 0.9 volume=0.191 peak=1147 ppm1=4.033 ppm2=7.708 assign ( resid 114 and name HD3) ( resid 114 and name HE3) 3.0 0.6 0.6 volume=2.559 peak=1887 ppm1=1.712 ppm2=3.015 assign ( resid 83 and name HG2*) ( resid 84 and name H) 3.5 0.7 0.7 volume=1.004 peak=1294 ppm1=0.739 ppm2=8.060 assign ( resid 119 and name HB3) ( resid 119 and name HG2) 3.9 0.8 0.8 volume=0.501 peak=879 ppm1=1.985 ppm2=2.578 assign ( resid 122 and name HE3) ( resid 122 and name HG3) 3.7 0.7 0.7 volume=0.676 peak=2858 ppm1=3.129 ppm2=1.379 assign ( resid 103 and name HB2) ( resid 103 and name HB3) 3.4 0.7 0.7 volume=1.261 peak=2053 ppm1=3.686 ppm2=3.367 assign ( resid 93 and name HA3) ( resid 93 and name H) 4.6 0.9 0.9 volume=0.206 peak=248 ppm1=4.497 ppm2=7.990 assign ( resid 124 and name HG2*) ( resid 7 and name H) 4.4 0.9 0.9 volume=0.244 peak=288 ppm1=1.565 ppm2=8.664 assign ( resid 114 and name HA) ( resid 114 and name HG2) 3.7 0.7 0.7 volume=0.733 peak=1118 ppm1=2.799 ppm2=1.126 assign ( resid 12 and name HB2) ( resid 11 and name HA) 4.8 1.0 1.0 volume=0.155 peak=3177 ppm1=1.807 ppm2=4.264 assign ( resid 90 and name HG3) ( resid 90 and name HB3) 3.3 0.7 0.7 volume=1.412 peak=1881 ppm1=2.076 ppm2=2.294 assign ( resid 126 and name HG2*) ( resid 126 and name HB) 2.8 0.6 0.6 volume=3.764 peak=2567 ppm1=0.691 ppm2=1.798 assign ( resid 100 and name HG3) ( resid 100 and name HB3) 3.2 0.6 0.6 volume=1.561 peak=3120 ppm1=1.640 ppm2=1.487 assign ( resid 109 and name HD2) ( resid 108 and name HA) 3.9 0.8 0.8 volume=0.486 peak=2734 ppm1=2.941 ppm2=4.416 assign ( resid 127 and name HB2) ( resid 128 and name H) 4.3 0.9 0.9 volume=0.294 peak=1249 ppm1=1.878 ppm2=9.118 assign ( resid 52 and name HG3) ( resid 52 and name HG2) 3.0 0.6 0.6 volume=2.594 peak=292 ppm1=2.030 ppm2=2.351 assign ( resid 76 and name HD1*) ( resid 45 and name HD*) 3.8 0.8 0.8 volume=0.653 peak=995 ppm1=0.151 ppm2=7.134 assign ( resid 119 and name HE*) ( resid 116 and name HA) 3.6 0.7 0.7 volume=0.801 peak=3188 ppm1=2.078 ppm2=3.578 assign ( resid 116 and name HB3) ( resid 116 and name H) 3.9 0.8 0.8 volume=0.530 peak=2254 ppm1=1.781 ppm2=8.666 assign ( resid 65 and name HB2) ( resid 65 and name HG3) 2.7 0.5 0.5 volume=4.503 peak=128 ppm1=1.863 ppm2=2.019 assign ( resid 44 and name HG2*) ( resid 44 and name H) 3.3 0.7 0.7 volume=1.469 peak=1566 ppm1=0.894 ppm2=7.482 assign ( resid 126 and name HA) ( resid 127 and name H) 4.4 0.9 0.9 volume=0.251 peak=3112 ppm1=4.938 ppm2=9.576 assign ( resid 35 and name HB2) ( resid 35 and name HG2) 4.2 0.8 0.8 volume=0.336 peak=2562 ppm1=2.161 ppm2=1.145 assign ( resid 76 and name HG2*) ( resid 76 and name HA) 3.4 0.7 0.7 volume=1.207 peak=712 ppm1=0.611 ppm2=5.598 assign ( resid 96 and name HG) ( resid 96 and name HB3) 3.8 0.8 0.8 volume=0.605 peak=623 ppm1=1.729 ppm2=1.130 assign ( resid 103 and name HA) ( resid 103 and name HB2) 3.7 0.7 0.7 volume=0.706 peak=603 ppm1=5.110 ppm2=3.694 assign ( resid 64 and name HA) ( resid 65 and name HD2) 3.2 0.6 0.6 volume=1.662 peak=1972 ppm1=4.569 ppm2=3.904 assign ( resid 41 and name HD3) ( resid 41 and name HB3) 4.0 0.8 0.8 volume=0.459 peak=335 ppm1=3.788 ppm2=2.257 assign ( resid 51 and name HG3) ( resid 51 and name H) 4.1 0.8 0.8 volume=0.375 peak=2531 ppm1=2.236 ppm2=9.527 assign ( resid 12 and name HB2) ( resid 13 and name H) 4.5 0.9 0.9 volume=0.223 peak=1884 ppm1=1.803 ppm2=9.100 assign ( resid 81 and name HA) ( resid 81 and name H) 4.2 0.8 0.8 volume=0.314 peak=3395 ppm1=4.291 ppm2=8.693 assign ( resid 24 and name HG2) ( resid 24 and name HD3) 2.5 0.5 0.5 volume=7.436 peak=259 ppm1=1.408 ppm2=1.670 assign ( resid 100 and name HB3) ( resid 100 and name HB2) 3.1 0.6 0.6 volume=1.990 peak=2778 ppm1=1.488 ppm2=2.295 assign ( resid 41 and name HG2) ( resid 42 and name H) 4.9 1.0 1.0 volume=0.133 peak=3244 ppm1=2.027 ppm2=7.572 assign ( resid 84 and name HB3) ( resid 83 and name HG2*) 4.6 0.9 0.9 volume=0.192 peak=68 ppm1=3.922 ppm2=0.742 assign ( resid 45 and name HB3) ( resid 45 and name HA) 4.6 0.9 0.9 volume=0.186 peak=2293 ppm1=2.431 ppm2=5.057 assign ( resid 110 and name HB2) ( resid 110 and name HG3) 3.6 0.7 0.7 volume=0.778 peak=3072 ppm1=2.130 ppm2=1.815 assign ( resid 115 and name HA) ( resid 114 and name HB3) 3.8 0.8 0.8 volume=0.572 peak=2253 ppm1=3.953 ppm2=1.770 assign ( resid 50 and name HB3) ( resid 50 and name HD2) 4.1 0.8 0.8 volume=0.372 peak=2801 ppm1=1.320 ppm2=1.820 assign ( resid 68 and name HB3) ( resid 56 and name HD2*) 3.9 0.8 0.8 volume=0.531 peak=942 ppm1=3.382 ppm2=-0.094 assign ( resid 14 and name HB2) ( resid 14 and name HD21) 3.9 0.8 0.8 volume=0.542 peak=620 ppm1=2.867 ppm2=7.079 assign ( resid 15 and name HG2) ( resid 16 and name H) 4.4 0.9 0.9 volume=0.263 peak=30 ppm1=2.090 ppm2=8.055 assign ( resid 105 and name HB3) ( resid 105 and name HB2) 4.0 0.8 0.8 volume=0.475 peak=176 ppm1=3.493 ppm2=2.929 assign ( resid 96 and name HB2) ( resid 96 and name H) 4.3 0.9 0.9 volume=0.298 peak=2081 ppm1=2.103 ppm2=7.932 assign ( resid 23 and name HA2) ( resid 24 and name HA) 4.2 0.8 0.8 volume=0.338 peak=343 ppm1=4.211 ppm2=4.763 assign ( resid 48 and name HB2) ( resid 49 and name HA) 5.3 1.1 1.1 volume=0.087 peak=1356 ppm1=2.790 ppm2=4.640 assign ( resid 47 and name HA) ( resid 47 and name H) 4.5 0.9 0.9 volume=0.226 peak=2338 ppm1=4.035 ppm2=8.280 assign ( resid 31 and name HG12) ( resid 31 and name HD1*) 2.9 0.6 0.6 volume=2.794 peak=947 ppm1=0.800 ppm2=0.448 assign ( resid 76 and name HG13) ( resid 76 and name HB) 3.9 0.8 0.8 volume=0.559 peak=3117 ppm1=0.928 ppm2=1.966 assign ( resid 35 and name HB3) ( resid 35 and name HD2) 3.7 0.7 0.7 volume=0.667 peak=341 ppm1=1.453 ppm2=1.599 assign ( resid 110 and name HA) ( resid 110 and name HD2) 3.2 0.6 0.6 volume=1.627 peak=1990 ppm1=3.981 ppm2=3.926 assign ( resid 47 and name HA) ( resid 48 and name H) 3.7 0.7 0.7 volume=0.759 peak=571 ppm1=4.039 ppm2=8.000 assign ( resid 13 and name HA) ( resid 12 and name HA) 4.9 1.0 1.0 volume=0.127 peak=2311 ppm1=4.000 ppm2=3.700 assign ( resid 116 and name HA) ( resid 115 and name H) 4.8 1.0 1.0 volume=0.147 peak=2291 ppm1=3.575 ppm2=6.761 assign ( resid 24 and name HE2) ( resid 24 and name HB2) 3.1 0.6 0.6 volume=1.979 peak=1412 ppm1=3.044 ppm2=1.689 assign ( resid 21 and name HG3) ( resid 21 and name HD3) 3.5 0.7 0.7 volume=1.081 peak=3300 ppm1=1.203 ppm2=1.758 assign ( resid 26 and name HB*) ( resid 27 and name HD1*) 3.6 0.7 0.7 volume=0.817 peak=2561 ppm1=1.258 ppm2=0.647 assign ( resid 112 and name HA) ( resid 112 and name HG2*) 3.1 0.6 0.6 volume=2.056 peak=2818 ppm1=3.836 ppm2=0.651 assign ( resid 69 and name HG3) ( resid 69 and name HA) 3.5 0.7 0.7 volume=0.951 peak=3433 ppm1=2.182 ppm2=4.836 assign ( resid 35 and name HD3) ( resid 35 and name HB2) 4.2 0.8 0.8 volume=0.333 peak=2103 ppm1=1.345 ppm2=2.161 assign ( resid 100 and name HG3) ( resid 100 and name H) 3.9 0.8 0.8 volume=0.496 peak=3495 ppm1=1.640 ppm2=8.891 assign ( resid 120 and name HA) ( resid 121 and name HB3) 4.3 0.9 0.9 volume=0.293 peak=1339 ppm1=3.658 ppm2=2.070 assign ( resid 99 and name HA) ( resid 98 and name HB3) 4.4 0.9 0.9 volume=0.245 peak=2152 ppm1=4.482 ppm2=1.436 assign ( resid 124 and name HB) ( resid 125 and name HA) 4.2 0.8 0.8 volume=0.336 peak=3199 ppm1=3.794 ppm2=4.491 assign ( resid 49 and name HA) ( resid 49 and name HD22) 4.6 0.9 0.9 volume=0.187 peak=1796 ppm1=4.640 ppm2=7.695 assign ( resid 27 and name HA) ( resid 27 and name HB2) 3.6 0.7 0.7 volume=0.866 peak=2595 ppm1=4.487 ppm2=1.387 assign ( resid 79 and name HA) ( resid 80 and name HA2) 2.9 0.6 0.6 volume=3.306 peak=2052 ppm1=4.680 ppm2=4.675 assign ( resid 43 and name HA2) ( resid 42 and name HB*) 5.7 1.1 1.1 volume=0.053 peak=1461 ppm1=3.627 ppm2=1.421 assign ( resid 19 and name HA) ( resid 20 and name HA) 4.7 0.9 0.9 volume=0.174 peak=2715 ppm1=5.371 ppm2=4.450 assign ( resid 79 and name HG2*) ( resid 79 and name HB) 2.8 0.6 0.6 volume=3.634 peak=2539 ppm1=1.094 ppm2=4.459 assign ( resid 29 and name HB) ( resid 30 and name H) 4.2 0.8 0.8 volume=0.339 peak=2620 ppm1=3.968 ppm2=8.398 assign ( resid 40 and name HA) ( resid 39 and name HA) 3.3 0.7 0.7 volume=1.349 peak=3332 ppm1=4.466 ppm2=4.183 assign ( resid 106 and name HA) ( resid 107 and name H) 3.7 0.7 0.7 volume=0.738 peak=2133 ppm1=3.806 ppm2=8.985 assign ( resid 41 and name HD2) ( resid 41 and name HA) 4.5 0.9 0.9 volume=0.233 peak=1991 ppm1=3.619 ppm2=4.305 assign ( resid 70 and name HA) ( resid 69 and name HA) 4.8 1.0 1.0 volume=0.155 peak=2012 ppm1=4.726 ppm2=4.836 assign ( resid 37 and name HA) ( resid 38 and name HB) 2.8 0.6 0.6 volume=4.033 peak=332 ppm1=4.266 ppm2=4.343 assign ( resid 127 and name HG) ( resid 127 and name H) 4.0 0.8 0.8 volume=0.471 peak=1180 ppm1=1.755 ppm2=9.575 assign ( resid 40 and name HB) ( resid 40 and name HA) 4.0 0.8 0.8 volume=0.423 peak=2852 ppm1=3.703 ppm2=4.466 assign ( resid 65 and name HA) ( resid 65 and name HG3) 3.7 0.7 0.7 volume=0.738 peak=1438 ppm1=4.979 ppm2=2.018 assign ( resid 50 and name HE3) ( resid 50 and name HB3) 3.0 0.6 0.6 volume=2.616 peak=1069 ppm1=3.024 ppm2=1.320 assign ( resid 109 and name HG2) ( resid 109 and name HD3) 4.4 0.9 0.9 volume=0.263 peak=3259 ppm1=-0.094 ppm2=3.057 assign ( resid 31 and name HA) ( resid 31 and name H) 5.2 1.0 1.0 volume=0.094 peak=1432 ppm1=5.090 ppm2=7.644 assign ( resid 22 and name HB3) ( resid 22 and name HA) 3.4 0.7 0.7 volume=1.279 peak=3178 ppm1=2.893 ppm2=4.173 assign ( resid 68 and name HB2) ( resid 69 and name HD3) 2.8 0.6 0.6 volume=4.158 peak=2446 ppm1=3.447 ppm2=3.591 assign ( resid 49 and name HA) ( resid 49 and name HB3) 3.9 0.8 0.8 volume=0.543 peak=92 ppm1=4.640 ppm2=1.665 assign ( resid 114 and name HA) ( resid 114 and name HB2) 3.1 0.6 0.6 volume=2.077 peak=3520 ppm1=2.799 ppm2=1.762 assign ( resid 35 and name HD3) ( resid 35 and name H) 4.7 0.9 0.9 volume=0.177 peak=2723 ppm1=1.345 ppm2=8.337 assign ( resid 72 and name HB3) ( resid 72 and name H) 4.9 1.0 1.0 volume=0.133 peak=1698 ppm1=2.424 ppm2=10.229 assign ( resid 69 and name HB3) ( resid 69 and name HD3) 3.7 0.7 0.7 volume=0.694 peak=3171 ppm1=1.893 ppm2=3.591 assign ( resid 106 and name HG12) ( resid 106 and name HG13) 3.2 0.6 0.6 volume=1.797 peak=1088 ppm1=1.340 ppm2=0.894 assign ( resid 125 and name HD3) ( resid 124 and name HA) 3.2 0.6 0.6 volume=1.812 peak=2621 ppm1=4.311 ppm2=4.469 assign ( resid 83 and name HB) ( resid 83 and name HG12) 3.5 0.7 0.7 volume=0.968 peak=2121 ppm1=1.461 ppm2=1.444 assign ( resid 114 and name HD3) ( resid 114 and name HE2) 3.0 0.6 0.6 volume=2.625 peak=3362 ppm1=1.712 ppm2=2.987 assign ( resid 33 and name HB3) ( resid 33 and name H) 4.6 0.9 0.9 volume=0.184 peak=1602 ppm1=4.554 ppm2=8.604 assign ( resid 47 and name HG1*) ( resid 47 and name HB) 3.0 0.6 0.6 volume=2.682 peak=2350 ppm1=0.722 ppm2=1.957 assign ( resid 31 and name HG2*) ( resid 17 and name HG2) 4.1 0.8 0.8 volume=0.400 peak=484 ppm1=0.609 ppm2=2.264 assign ( resid 13 and name HB3) ( resid 13 and name H) 3.4 0.7 0.7 volume=1.204 peak=1562 ppm1=2.213 ppm2=9.097 assign ( resid 109 and name HB2) ( resid 109 and name HG2) 4.1 0.8 0.8 volume=0.392 peak=389 ppm1=2.015 ppm2=-0.103 assign ( resid 113 and name HA) ( resid 112 and name HB) 3.7 0.7 0.7 volume=0.771 peak=2091 ppm1=4.093 ppm2=1.759 assign ( resid 36 and name HD3) ( resid 36 and name HG2) 4.0 0.8 0.8 volume=0.450 peak=2977 ppm1=3.712 ppm2=1.838 assign ( resid 127 and name HA) ( resid 126 and name HA) 5.3 1.1 1.1 volume=0.083 peak=2744 ppm1=5.067 ppm2=4.938 assign ( resid 92 and name HA) ( resid 93 and name HA3) 2.8 0.6 0.6 volume=4.142 peak=2590 ppm1=4.437 ppm2=4.497 assign ( resid 24 and name HB2) ( resid 24 and name HE2) 4.7 0.9 0.9 volume=0.177 peak=2110 ppm1=1.689 ppm2=3.044 assign ( resid 35 and name HB2) ( resid 35 and name HE2) 4.9 1.0 1.0 volume=0.138 peak=1051 ppm1=2.161 ppm2=2.896 assign ( resid 15 and name HB2) ( resid 15 and name HG3) 4.7 0.9 0.9 volume=0.171 peak=3238 ppm1=2.243 ppm2=2.935 assign ( resid 35 and name HG3) ( resid 35 and name HD3) 3.8 0.8 0.8 volume=0.581 peak=2244 ppm1=1.596 ppm2=1.342 assign ( resid 31 and name HG2*) ( resid 17 and name HB3) 2.9 0.6 0.6 volume=2.939 peak=358 ppm1=0.611 ppm2=1.480 assign ( resid 87 and name HB2) ( resid 87 and name HA) 3.3 0.7 0.7 volume=1.313 peak=2289 ppm1=2.955 ppm2=4.203 assign ( resid 17 and name HA) ( resid 17 and name HB2) 4.2 0.8 0.8 volume=0.319 peak=1415 ppm1=5.631 ppm2=1.650 assign ( resid 95 and name HA) ( resid 95 and name H) 4.0 0.8 0.8 volume=0.455 peak=256 ppm1=5.163 ppm2=8.529 assign ( resid 67 and name HA) ( resid 67 and name H) 3.8 0.8 0.8 volume=0.571 peak=518 ppm1=4.972 ppm2=8.198 assign ( resid 113 and name HB3) ( resid 113 and name HG3) 4.6 0.9 0.9 volume=0.193 peak=3512 ppm1=1.379 ppm2=3.546 assign ( resid 122 and name HA) ( resid 122 and name HB2) 3.4 0.7 0.7 volume=1.111 peak=3456 ppm1=3.685 ppm2=1.705 assign ( resid 109 and name HA) ( resid 110 and name HG2) 4.8 1.0 1.0 volume=0.157 peak=1636 ppm1=4.442 ppm2=2.366 assign ( resid 121 and name HB2) ( resid 120 and name HA) 3.9 0.8 0.8 volume=0.534 peak=2686 ppm1=1.734 ppm2=3.658 assign ( resid 122 and name HD2) ( resid 122 and name HA) 4.8 1.0 1.0 volume=0.151 peak=2425 ppm1=1.832 ppm2=3.688 assign ( resid 89 and name HB3) ( resid 90 and name HA) 5.3 1.1 1.1 volume=0.079 peak=436 ppm1=1.639 ppm2=4.493 assign ( resid 109 and name HA) ( resid 108 and name HA) 3.6 0.7 0.7 volume=0.854 peak=809 ppm1=4.442 ppm2=4.417 assign ( resid 114 and name HB3) ( resid 114 and name HD2) 2.7 0.5 0.5 volume=4.706 peak=345 ppm1=1.770 ppm2=1.688 assign ( resid 36 and name HB3) ( resid 36 and name HD2) 3.7 0.7 0.7 volume=0.665 peak=1494 ppm1=2.006 ppm2=4.027 assign ( resid 35 and name HD2) ( resid 35 and name HE3) 3.7 0.7 0.7 volume=0.729 peak=3398 ppm1=1.599 ppm2=2.836 assign ( resid 120 and name HA) ( resid 119 and name H) 4.2 0.8 0.8 volume=0.358 peak=1553 ppm1=3.658 ppm2=7.349 assign ( resid 73 and name HB3) ( resid 73 and name HD1) 4.8 1.0 1.0 volume=0.147 peak=1540 ppm1=2.812 ppm2=7.078 assign ( resid 65 and name HB2) ( resid 64 and name HA) 4.2 0.8 0.8 volume=0.344 peak=3283 ppm1=1.863 ppm2=4.567 assign ( resid 63 and name HA2) ( resid 64 and name H) 3.4 0.7 0.7 volume=1.286 peak=1015 ppm1=3.620 ppm2=8.118 assign ( resid 72 and name HB2) ( resid 72 and name H) 4.7 0.9 0.9 volume=0.161 peak=2182 ppm1=2.711 ppm2=10.229 assign ( resid 9 and name HG3) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.319 peak=3114 ppm1=2.678 ppm2=9.791 assign ( resid 92 and name HA) ( resid 93 and name H) 3.8 0.8 0.8 volume=0.591 peak=2758 ppm1=4.441 ppm2=7.987 assign ( resid 76 and name HG12) ( resid 76 and name HD1*) 4.7 0.9 0.9 volume=0.169 peak=3077 ppm1=1.930 ppm2=0.149 assign ( resid 98 and name HG3) ( resid 98 and name H) 4.8 1.0 1.0 volume=0.159 peak=276 ppm1=-0.331 ppm2=6.522 assign ( resid 60 and name HB3) ( resid 61 and name HA) 4.4 0.9 0.9 volume=0.239 peak=1184 ppm1=3.041 ppm2=4.379 assign ( resid 57 and name HD3) ( resid 57 and name HG3) 2.8 0.6 0.6 volume=3.685 peak=2143 ppm1=1.518 ppm2=1.153 assign ( resid 119 and name HE*) ( resid 27 and name HB2) 3.3 0.7 0.7 volume=1.432 peak=1799 ppm1=2.078 ppm2=1.376 assign ( resid 86 and name HB2) ( resid 86 and name HB3) 4.1 0.8 0.8 volume=0.391 peak=2683 ppm1=2.430 ppm2=2.198 assign ( resid 114 and name HD3) ( resid 114 and name HG2) 3.2 0.6 0.6 volume=1.804 peak=1142 ppm1=1.712 ppm2=1.139 assign ( resid 114 and name HG2) ( resid 114 and name HD2) 3.0 0.6 0.6 volume=2.776 peak=2035 ppm1=1.139 ppm2=1.688 assign ( resid 74 and name HE*) ( resid 74 and name HG2) 3.3 0.7 0.7 volume=1.377 peak=2154 ppm1=1.642 ppm2=2.477 assign ( resid 23 and name HA3) ( resid 22 and name HA) 3.0 0.6 0.6 volume=2.421 peak=1390 ppm1=3.771 ppm2=4.176 assign ( resid 65 and name HG2) ( resid 64 and name HA) 3.5 0.7 0.7 volume=0.991 peak=2937 ppm1=2.003 ppm2=4.567 assign ( resid 9 and name HG2) ( resid 9 and name H) 4.1 0.8 0.8 volume=0.370 peak=1154 ppm1=2.560 ppm2=9.754 assign ( resid 21 and name HB2) ( resid 21 and name HE2) 4.5 0.9 0.9 volume=0.208 peak=644 ppm1=1.520 ppm2=3.000 assign ( resid 39 and name HG3) ( resid 39 and name HD2) 3.5 0.7 0.7 volume=1.042 peak=224 ppm1=1.990 ppm2=3.424 assign ( resid 25 and name HB) ( resid 25 and name HG2*) 2.8 0.6 0.6 volume=3.899 peak=2534 ppm1=1.922 ppm2=0.683 assign ( resid 13 and name HB2) ( resid 13 and name HG2) 2.7 0.5 0.5 volume=4.951 peak=2484 ppm1=2.073 ppm2=2.260 assign ( resid 69 and name HD2) ( resid 69 and name HA) 3.3 0.7 0.7 volume=1.551 peak=2740 ppm1=3.745 ppm2=4.835 assign ( resid 25 and name HA) ( resid 25 and name HG1*) 3.4 0.7 0.7 volume=1.216 peak=1367 ppm1=3.262 ppm2=0.804 assign ( resid 68 and name HA) ( resid 68 and name H) 5.3 1.1 1.1 volume=0.085 peak=920 ppm1=4.917 ppm2=9.238 assign ( resid 12 and name HB2) ( resid 12 and name HG) 3.9 0.8 0.8 volume=0.494 peak=2705 ppm1=1.807 ppm2=1.460 assign ( resid 13 and name HB3) ( resid 13 and name HB2) 2.9 0.6 0.6 volume=3.249 peak=866 ppm1=2.212 ppm2=2.069 assign ( resid 122 and name HE3) ( resid 122 and name HB3) 3.5 0.7 0.7 volume=0.975 peak=3012 ppm1=3.129 ppm2=1.698 assign ( resid 58 and name HA3) ( resid 57 and name H) 4.7 0.9 0.9 volume=0.166 peak=2732 ppm1=3.369 ppm2=8.066 assign ( resid 125 and name HB3) ( resid 125 and name HG3) 3.6 0.7 0.7 volume=0.806 peak=2720 ppm1=1.933 ppm2=2.177 assign ( resid 50 and name HE3) ( resid 50 and name HB2) 2.5 0.5 0.5 volume=6.695 peak=2346 ppm1=3.024 ppm2=1.612 assign ( resid 24 and name HE2) ( resid 24 and name HG3) 3.5 0.7 0.7 volume=0.968 peak=1109 ppm1=3.044 ppm2=1.380 assign ( resid 120 and name HG1*) ( resid 116 and name HB3) 3.8 0.8 0.8 volume=0.586 peak=2472 ppm1=0.164 ppm2=1.769 assign ( resid 35 and name HB2) ( resid 35 and name HD2) 3.9 0.8 0.8 volume=0.505 peak=1288 ppm1=2.162 ppm2=1.604 assign ( resid 31 and name HG2*) ( resid 29 and name HG1) 4.9 1.0 1.0 volume=0.125 peak=2619 ppm1=0.612 ppm2=5.518 assign ( resid 122 and name HA) ( resid 121 and name HA) 4.3 0.9 0.9 volume=0.288 peak=1872 ppm1=3.686 ppm2=4.392 assign ( resid 3 and name HG2) ( resid 3 and name HE*) 2.9 0.6 0.6 volume=2.851 peak=45 ppm1=2.339 ppm2=1.955 assign ( resid 60 and name HA) ( resid 60 and name HB2) 3.2 0.6 0.6 volume=1.722 peak=87 ppm1=4.919 ppm2=3.050 assign ( resid 20 and name HA) ( resid 20 and name HE*) 4.2 0.8 0.8 volume=0.342 peak=1608 ppm1=4.450 ppm2=6.385 assign ( resid 114 and name HD2) ( resid 114 and name HG2) 3.2 0.6 0.6 volume=1.790 peak=3407 ppm1=1.688 ppm2=1.139 assign ( resid 7 and name HA) ( resid 8 and name HB) 4.2 0.8 0.8 volume=0.357 peak=2743 ppm1=5.097 ppm2=1.895 assign ( resid 45 and name HA) ( resid 46 and name HA) 3.7 0.7 0.7 volume=0.694 peak=1074 ppm1=5.057 ppm2=5.175 assign ( resid 4 and name HA) ( resid 5 and name HB3) 3.6 0.7 0.7 volume=0.813 peak=385 ppm1=4.306 ppm2=2.684 assign ( resid 52 and name HB3) ( resid 52 and name HG2) 2.9 0.6 0.6 volume=3.158 peak=1941 ppm1=1.910 ppm2=2.361 assign ( resid 37 and name HB) ( resid 38 and name H) 4.6 0.9 0.9 volume=0.206 peak=2688 ppm1=4.423 ppm2=7.728 assign ( resid 74 and name HE*) ( resid 74 and name HA) 4.3 0.9 0.9 volume=0.280 peak=1838 ppm1=1.645 ppm2=4.894 assign ( resid 10 and name HG2*) ( resid 10 and name HA) 3.4 0.7 0.7 volume=1.221 peak=2327 ppm1=0.705 ppm2=4.530 assign ( resid 31 and name HG12) ( resid 31 and name HB) 3.8 0.8 0.8 volume=0.624 peak=304 ppm1=0.800 ppm2=1.860 assign ( resid 120 and name HA) ( resid 121 and name HG2) 4.3 0.9 0.9 volume=0.301 peak=615 ppm1=3.643 ppm2=2.395 assign ( resid 9 and name HG2) ( resid 127 and name HD2*) 4.0 0.8 0.8 volume=0.481 peak=3056 ppm1=2.560 ppm2=0.847 assign ( resid 85 and name HA) ( resid 86 and name H) 3.6 0.7 0.7 volume=0.848 peak=3069 ppm1=5.148 ppm2=8.079 assign ( resid 13 and name HB3) ( resid 13 and name HA) 3.4 0.7 0.7 volume=1.268 peak=1718 ppm1=2.211 ppm2=4.000 assign ( resid 70 and name HG2*) ( resid 73 and name HA) 4.0 0.8 0.8 volume=0.473 peak=1638 ppm1=0.514 ppm2=5.740 assign ( resid 105 and name HB2) ( resid 105 and name HB3) 4.1 0.8 0.8 volume=0.380 peak=1771 ppm1=2.934 ppm2=3.489 assign ( resid 39 and name HA) ( resid 38 and name HA) 4.4 0.9 0.9 volume=0.264 peak=3435 ppm1=4.181 ppm2=4.583 assign ( resid 55 and name HA) ( resid 56 and name H) 3.4 0.7 0.7 volume=1.285 peak=2019 ppm1=4.349 ppm2=8.168 assign ( resid 126 and name HA) ( resid 125 and name HB2) 4.1 0.8 0.8 volume=0.361 peak=1182 ppm1=4.938 ppm2=2.338 assign ( resid 17 and name HA) ( resid 18 and name HB3) 5.0 1.0 1.0 volume=0.121 peak=2164 ppm1=5.630 ppm2=3.300 assign ( resid 16 and name HB2) ( resid 17 and name H) 4.9 1.0 1.0 volume=0.129 peak=2860 ppm1=2.684 ppm2=8.253 assign ( resid 83 and name HG12) ( resid 83 and name HG2*) 3.1 0.6 0.6 volume=2.025 peak=1605 ppm1=1.464 ppm2=0.743 assign ( resid 21 and name HB3) ( resid 22 and name HA) 5.2 1.0 1.0 volume=0.088 peak=1966 ppm1=1.106 ppm2=4.189 assign ( resid 119 and name HG2) ( resid 119 and name HG3) 2.8 0.6 0.6 volume=3.589 peak=1896 ppm1=2.561 ppm2=2.713 assign ( resid 87 and name HB3) ( resid 87 and name HA) 3.4 0.7 0.7 volume=1.227 peak=892 ppm1=2.727 ppm2=4.203 assign ( resid 85 and name HA) ( resid 86 and name HB2) 3.8 0.8 0.8 volume=0.583 peak=1366 ppm1=5.151 ppm2=2.431 assign ( resid 50 and name HB3) ( resid 117 and name HZ) 4.8 1.0 1.0 volume=0.154 peak=824 ppm1=1.319 ppm2=7.119 assign ( resid 52 and name HB2) ( resid 53 and name H) 4.1 0.8 0.8 volume=0.399 peak=3514 ppm1=1.793 ppm2=8.330 assign ( resid 123 and name HA3) ( resid 123 and name H) 4.7 0.9 0.9 volume=0.168 peak=1994 ppm1=3.350 ppm2=9.557 assign ( resid 9 and name HG3) ( resid 9 and name H) 4.2 0.8 0.8 volume=0.343 peak=1563 ppm1=2.678 ppm2=9.754 assign ( resid 52 and name HB2) ( resid 52 and name HG3) 3.0 0.6 0.6 volume=2.391 peak=1859 ppm1=1.793 ppm2=2.031 assign ( resid 113 and name HB3) ( resid 112 and name HA) 4.9 1.0 1.0 volume=0.137 peak=1513 ppm1=1.379 ppm2=3.834 assign ( resid 73 and name HA) ( resid 74 and name HB3) 4.2 0.8 0.8 volume=0.326 peak=468 ppm1=5.752 ppm2=2.046 assign ( resid 36 and name HA) ( resid 36 and name HG3) 3.2 0.6 0.6 volume=1.633 peak=110 ppm1=4.379 ppm2=2.025 assign ( resid 87 and name HA) ( resid 87 and name HB3) 3.2 0.6 0.6 volume=1.701 peak=1271 ppm1=4.207 ppm2=2.719 assign ( resid 45 and name HB3) ( resid 44 and name HA) 4.1 0.8 0.8 volume=0.385 peak=305 ppm1=2.431 ppm2=4.470 assign ( resid 100 and name HB3) ( resid 100 and name HA) 3.5 0.7 0.7 volume=0.973 peak=438 ppm1=1.488 ppm2=4.791 assign ( resid 4 and name HB3) ( resid 3 and name HA) 3.6 0.7 0.7 volume=0.904 peak=865 ppm1=1.861 ppm2=4.345 assign ( resid 53 and name HB2) ( resid 54 and name H) 4.1 0.8 0.8 volume=0.404 peak=2456 ppm1=2.763 ppm2=7.102 assign ( resid 90 and name HG3) ( resid 89 and name HA) 4.3 0.9 0.9 volume=0.304 peak=1813 ppm1=2.079 ppm2=5.198 assign ( resid 76 and name HG2*) ( resid 126 and name HG1*) 3.1 0.6 0.6 volume=2.114 peak=3532 ppm1=0.612 ppm2=0.863 assign ( resid 56 and name HB2) ( resid 56 and name HA) 3.9 0.8 0.8 volume=0.520 peak=1095 ppm1=1.395 ppm2=4.013 assign ( resid 24 and name HD3) ( resid 24 and name HB2) 2.4 0.5 0.5 volume=10.836 peak=3304 ppm1=1.688 ppm2=1.692 assign ( resid 106 and name HG13) ( resid 106 and name HB) 4.3 0.9 0.9 volume=0.304 peak=3062 ppm1=0.897 ppm2=1.724 assign ( resid 122 and name HE3) ( resid 122 and name HD3) 3.2 0.6 0.6 volume=1.731 peak=3083 ppm1=3.132 ppm2=1.801 assign ( resid 90 and name HB2) ( resid 90 and name HD3) 3.7 0.7 0.7 volume=0.668 peak=2482 ppm1=2.003 ppm2=3.999 assign ( resid 95 and name HB3) ( resid 95 and name H) 4.2 0.8 0.8 volume=0.352 peak=2314 ppm1=2.724 ppm2=8.536 assign ( resid 119 and name HA) ( resid 119 and name HG2) 3.4 0.7 0.7 volume=1.286 peak=1824 ppm1=4.461 ppm2=2.582 assign ( resid 110 and name HG2) ( resid 109 and name HA) 3.7 0.7 0.7 volume=0.717 peak=687 ppm1=2.366 ppm2=4.442 assign ( resid 113 and name HG3) ( resid 114 and name H) 4.7 0.9 0.9 volume=0.175 peak=1054 ppm1=3.546 ppm2=7.511 assign ( resid 66 and name HA) ( resid 67 and name H) 3.2 0.6 0.6 volume=1.693 peak=3457 ppm1=4.900 ppm2=8.198 assign ( resid 12 and name HG) ( resid 12 and name HD1*) 3.7 0.7 0.7 volume=0.739 peak=1081 ppm1=1.457 ppm2=0.553 assign ( resid 36 and name HB2) ( resid 37 and name H) 4.3 0.9 0.9 volume=0.300 peak=2371 ppm1=2.519 ppm2=7.306 assign ( resid 8 and name HG2*) ( resid 8 and name HB) 3.1 0.6 0.6 volume=2.281 peak=2885 ppm1=0.880 ppm2=1.895 assign ( resid 106 and name HA) ( resid 106 and name H) 4.3 0.9 0.9 volume=0.299 peak=3466 ppm1=3.809 ppm2=8.711 assign ( resid 95 and name HB3) ( resid 96 and name HA) 4.4 0.9 0.9 volume=0.246 peak=157 ppm1=2.725 ppm2=3.875 assign ( resid 64 and name HB) ( resid 64 and name HA) 3.3 0.7 0.7 volume=1.454 peak=3217 ppm1=4.335 ppm2=4.567 assign ( resid 97 and name HB2) ( resid 97 and name H) 4.8 1.0 1.0 volume=0.149 peak=2303 ppm1=3.212 ppm2=9.595 assign ( resid 74 and name HA) ( resid 75 and name HB2) 4.3 0.9 0.9 volume=0.299 peak=2959 ppm1=4.914 ppm2=1.570 assign ( resid 69 and name HG3) ( resid 69 and name HB3) 2.5 0.5 0.5 volume=7.233 peak=1385 ppm1=2.182 ppm2=1.894 assign ( resid 39 and name HB2) ( resid 39 and name HD2) 3.9 0.8 0.8 volume=0.506 peak=1029 ppm1=2.027 ppm2=3.424 assign ( resid 116 and name HD1*) ( resid 19 and name HB2) 3.5 0.7 0.7 volume=1.015 peak=2467 ppm1=0.381 ppm2=2.558 assign ( resid 32 and name HG1*) ( resid 32 and name H) 4.0 0.8 0.8 volume=0.460 peak=1061 ppm1=1.009 ppm2=8.257 assign ( resid 72 and name HA) ( resid 73 and name H) 3.5 0.7 0.7 volume=0.981 peak=703 ppm1=4.483 ppm2=9.006 assign ( resid 7 and name HA) ( resid 7 and name HD*) 4.4 0.9 0.9 volume=0.249 peak=238 ppm1=5.097 ppm2=6.643 assign ( resid 119 and name HB2) ( resid 119 and name HG2) 3.9 0.8 0.8 volume=0.516 peak=2174 ppm1=2.136 ppm2=2.574 assign ( resid 127 and name HA) ( resid 128 and name HA) 3.2 0.6 0.6 volume=1.835 peak=60 ppm1=5.067 ppm2=5.050 assign ( resid 91 and name HB2) ( resid 91 and name HG2) 3.2 0.6 0.6 volume=1.655 peak=2779 ppm1=1.649 ppm2=2.223 assign ( resid 124 and name HA) ( resid 124 and name HB) 4.3 0.9 0.9 volume=0.302 peak=1961 ppm1=4.458 ppm2=3.794 assign ( resid 42 and name HB*) ( resid 41 and name HA) 3.0 0.6 0.6 volume=2.396 peak=2857 ppm1=1.421 ppm2=4.305 assign ( resid 44 and name HG1*) ( resid 44 and name H) 3.7 0.7 0.7 volume=0.679 peak=1868 ppm1=0.798 ppm2=7.481 assign ( resid 121 and name HA) ( resid 122 and name HB2) 3.4 0.7 0.7 volume=1.262 peak=251 ppm1=4.413 ppm2=1.692 assign ( resid 35 and name HE3) ( resid 35 and name HB2) 4.4 0.9 0.9 volume=0.265 peak=1777 ppm1=2.834 ppm2=2.153 assign ( resid 114 and name HE3) ( resid 114 and name HG3) 2.9 0.6 0.6 volume=2.940 peak=3027 ppm1=3.015 ppm2=1.319 assign ( resid 125 and name HG3) ( resid 125 and name HG2) 3.1 0.6 0.6 volume=2.027 peak=3416 ppm1=2.165 ppm2=2.352 assign ( resid 110 and name HD2) ( resid 109 and name HB2) 3.7 0.7 0.7 volume=0.764 peak=606 ppm1=3.926 ppm2=2.015 assign ( resid 69 and name HB3) ( resid 70 and name HA) 3.9 0.8 0.8 volume=0.536 peak=3316 ppm1=1.894 ppm2=4.726 assign ( resid 120 and name HG1*) ( resid 116 and name HG) 3.2 0.6 0.6 volume=1.611 peak=2297 ppm1=0.164 ppm2=1.152 assign ( resid 105 and name HB3) ( resid 82 and name H) 4.6 0.9 0.9 volume=0.192 peak=2069 ppm1=3.490 ppm2=7.712 assign ( resid 47 and name HG1*) ( resid 47 and name H) 3.3 0.7 0.7 volume=1.460 peak=1722 ppm1=0.722 ppm2=8.280 assign ( resid 27 and name HA) ( resid 26 and name HB*) 4.2 0.8 0.8 volume=0.320 peak=3438 ppm1=4.487 ppm2=1.256 assign ( resid 127 and name HD2*) ( resid 127 and name HB2) 2.9 0.6 0.6 volume=3.390 peak=135 ppm1=0.848 ppm2=1.857 assign ( resid 25 and name HG2*) ( resid 18 and name HB2) 3.8 0.8 0.8 volume=0.601 peak=2426 ppm1=0.681 ppm2=2.666 assign ( resid 47 and name HG2*) ( resid 122 and name H) 4.5 0.9 0.9 volume=0.224 peak=2270 ppm1=0.677 ppm2=9.199 assign ( resid 93 and name HA3) ( resid 92 and name HA) 3.7 0.7 0.7 volume=0.741 peak=437 ppm1=4.497 ppm2=4.437 assign ( resid 119 and name HE*) ( resid 27 and name H) 5.3 1.1 1.1 volume=0.085 peak=823 ppm1=2.078 ppm2=7.634 assign ( resid 91 and name HG3) ( resid 91 and name H) 4.3 0.9 0.9 volume=0.278 peak=2211 ppm1=2.135 ppm2=7.005 assign ( resid 106 and name HA) ( resid 107 and name HB2) 4.2 0.8 0.8 volume=0.355 peak=544 ppm1=3.809 ppm2=3.438 assign ( resid 31 and name HG13) ( resid 31 and name HA) 4.7 0.9 0.9 volume=0.161 peak=805 ppm1=0.494 ppm2=5.090 assign ( resid 125 and name HD3) ( resid 125 and name HB3) 4.4 0.9 0.9 volume=0.252 peak=3070 ppm1=4.314 ppm2=1.935 assign ( resid 25 and name HB) ( resid 24 and name HA) 3.8 0.8 0.8 volume=0.640 peak=627 ppm1=1.917 ppm2=4.780 assign ( resid 57 and name HA) ( resid 57 and name H) 3.6 0.7 0.7 volume=0.858 peak=264 ppm1=4.621 ppm2=8.056 assign ( resid 36 and name HG3) ( resid 36 and name HA) 3.9 0.8 0.8 volume=0.514 peak=3327 ppm1=2.025 ppm2=4.379 assign ( resid 119 and name HB2) ( resid 119 and name HE*) 2.7 0.5 0.5 volume=4.477 peak=1839 ppm1=2.135 ppm2=2.076 assign ( resid 53 and name HB3) ( resid 53 and name HA) 3.3 0.7 0.7 volume=1.361 peak=2451 ppm1=2.589 ppm2=4.375 assign ( resid 121 and name HG2) ( resid 122 and name H) 4.2 0.8 0.8 volume=0.327 peak=2060 ppm1=2.395 ppm2=9.207 assign ( resid 122 and name HG3) ( resid 122 and name HE2) 3.6 0.7 0.7 volume=0.788 peak=2875 ppm1=1.379 ppm2=3.049 assign ( resid 87 and name HB2) ( resid 87 and name HB3) 2.7 0.5 0.5 volume=4.420 peak=2315 ppm1=2.957 ppm2=2.727 assign ( resid 87 and name HB2) ( resid 87 and name H) 3.7 0.7 0.7 volume=0.679 peak=2510 ppm1=2.956 ppm2=9.738 assign ( resid 22 and name HB3) ( resid 23 and name H) 5.0 1.0 1.0 volume=0.112 peak=743 ppm1=2.897 ppm2=8.855 assign ( resid 45 and name HB3) ( resid 45 and name HB2) 4.1 0.8 0.8 volume=0.361 peak=816 ppm1=2.441 ppm2=3.985 assign ( resid 108 and name HB) ( resid 108 and name HG2*) 3.2 0.6 0.6 volume=1.580 peak=2028 ppm1=3.416 ppm2=0.766 assign ( resid 109 and name HB2) ( resid 110 and name HD2) 4.2 0.8 0.8 volume=0.335 peak=2015 ppm1=2.015 ppm2=3.926 assign ( resid 89 and name HA) ( resid 89 and name HE22) 4.4 0.9 0.9 volume=0.239 peak=3476 ppm1=5.206 ppm2=7.249 assign ( resid 123 and name HA3) ( resid 124 and name HB) 4.8 1.0 1.0 volume=0.146 peak=914 ppm1=3.350 ppm2=3.794 assign ( resid 28 and name HB3) ( resid 28 and name HG3) 3.4 0.7 0.7 volume=1.274 peak=582 ppm1=1.530 ppm2=1.933 assign ( resid 24 and name HA) ( resid 24 and name H) 4.9 1.0 1.0 volume=0.132 peak=2933 ppm1=4.763 ppm2=7.606 assign ( resid 57 and name HB2) ( resid 57 and name HG2) 3.2 0.6 0.6 volume=1.564 peak=960 ppm1=1.455 ppm2=1.123 assign ( resid 36 and name HG2) ( resid 36 and name HA) 4.3 0.9 0.9 volume=0.306 peak=1749 ppm1=1.838 ppm2=4.379 assign ( resid 120 and name HB) ( resid 121 and name HA) 5.0 1.0 1.0 volume=0.120 peak=3365 ppm1=1.455 ppm2=4.413 assign ( resid 40 and name HG2*) ( resid 12 and name HD2*) 3.2 0.6 0.6 volume=1.601 peak=2480 ppm1=1.192 ppm2=0.417 assign ( resid 42 and name HA) ( resid 43 and name H) 3.5 0.7 0.7 volume=1.075 peak=2498 ppm1=4.398 ppm2=9.201 assign ( resid 106 and name HG12) ( resid 106 and name HB) 4.0 0.8 0.8 volume=0.457 peak=3091 ppm1=1.339 ppm2=1.721 assign ( resid 116 and name HD2*) ( resid 116 and name HG) 2.9 0.6 0.6 volume=3.310 peak=475 ppm1=0.617 ppm2=1.144 assign ( resid 110 and name HD3) ( resid 110 and name HG3) 4.0 0.8 0.8 volume=0.431 peak=763 ppm1=3.832 ppm2=1.814 assign ( resid 4 and name HG2) ( resid 4 and name HB3) 2.6 0.5 0.5 volume=5.376 peak=895 ppm1=2.231 ppm2=1.861 assign ( resid 96 and name HB3) ( resid 96 and name HA) 3.9 0.8 0.8 volume=0.551 peak=1496 ppm1=1.128 ppm2=3.870 assign ( resid 85 and name HA) ( resid 84 and name H) 3.7 0.7 0.7 volume=0.696 peak=3401 ppm1=5.151 ppm2=8.058 assign ( resid 39 and name HB3) ( resid 39 and name HA) 3.8 0.8 0.8 volume=0.582 peak=1240 ppm1=1.832 ppm2=4.179 assign ( resid 126 and name HG2*) ( resid 126 and name H) 3.9 0.8 0.8 volume=0.491 peak=3309 ppm1=0.691 ppm2=8.527 assign ( resid 70 and name HG1*) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.741 peak=381 ppm1=0.753 ppm2=10.377 assign ( resid 9 and name HG2) ( resid 9 and name HB3) 2.8 0.6 0.6 volume=3.722 peak=3165 ppm1=2.560 ppm2=2.575 assign ( resid 53 and name HB2) ( resid 53 and name H) 3.9 0.8 0.8 volume=0.564 peak=1732 ppm1=2.768 ppm2=8.327 assign ( resid 57 and name HG2) ( resid 57 and name HB2) 3.0 0.6 0.6 volume=2.417 peak=830 ppm1=1.133 ppm2=1.456 assign ( resid 40 and name HA) ( resid 40 and name HG2*) 3.5 0.7 0.7 volume=1.070 peak=3381 ppm1=4.466 ppm2=1.190 assign ( resid 3 and name HB2) ( resid 3 and name H) 4.3 0.9 0.9 volume=0.301 peak=1135 ppm1=1.722 ppm2=8.403 assign ( resid 21 and name HA) ( resid 21 and name HE3) 5.1 1.0 1.0 volume=0.103 peak=3096 ppm1=4.545 ppm2=2.995 assign ( resid 100 and name HG3) ( resid 100 and name HD2) 3.5 0.7 0.7 volume=0.949 peak=1055 ppm1=1.640 ppm2=3.226 assign ( resid 28 and name HG2) ( resid 28 and name H) 4.0 0.8 0.8 volume=0.449 peak=3329 ppm1=2.027 ppm2=8.446 assign ( resid 101 and name HA2) ( resid 102 and name HB3) 4.5 0.9 0.9 volume=0.212 peak=3511 ppm1=4.331 ppm2=3.773 assign ( resid 67 and name HB2) ( resid 68 and name HA) 3.4 0.7 0.7 volume=1.181 peak=1717 ppm1=1.697 ppm2=4.917 assign ( resid 32 and name HG1*) ( resid 32 and name HA) 3.2 0.6 0.6 volume=1.794 peak=1641 ppm1=1.008 ppm2=4.817 assign ( resid 100 and name HB3) ( resid 100 and name HE) 4.3 0.9 0.9 volume=0.311 peak=2477 ppm1=1.487 ppm2=7.195 assign ( resid 7 and name HA) ( resid 7 and name HB3) 3.9 0.8 0.8 volume=0.499 peak=2497 ppm1=5.097 ppm2=2.733 assign ( resid 37 and name HG2*) ( resid 37 and name HA) 2.7 0.5 0.5 volume=4.714 peak=899 ppm1=1.281 ppm2=4.271 assign ( resid 9 and name HG2) ( resid 9 and name HB2) 3.4 0.7 0.7 volume=1.267 peak=2765 ppm1=2.560 ppm2=2.453 assign ( resid 121 and name HB2) ( resid 122 and name HA) 3.9 0.8 0.8 volume=0.518 peak=2946 ppm1=1.734 ppm2=3.688 assign ( resid 21 and name HG2) ( resid 21 and name HE2) 3.3 0.7 0.7 volume=1.521 peak=1858 ppm1=1.214 ppm2=3.009 assign ( resid 17 and name HG3) ( resid 17 and name HE*) 3.4 0.7 0.7 volume=1.144 peak=2382 ppm1=1.791 ppm2=1.481 assign ( resid 24 and name HB2) ( resid 24 and name HE3) 4.5 0.9 0.9 volume=0.213 peak=1735 ppm1=1.689 ppm2=2.992 assign ( resid 36 and name HG2) ( resid 36 and name HD2) 4.0 0.8 0.8 volume=0.452 peak=3500 ppm1=1.838 ppm2=4.028 assign ( resid 98 and name HB3) ( resid 98 and name HG3) 4.1 0.8 0.8 volume=0.402 peak=2469 ppm1=1.436 ppm2=-0.331 assign ( resid 31 and name HB) ( resid 32 and name H) 3.9 0.8 0.8 volume=0.494 peak=2578 ppm1=1.870 ppm2=8.256 assign ( resid 53 and name HA) ( resid 53 and name HB3) 3.4 0.7 0.7 volume=1.183 peak=3135 ppm1=4.390 ppm2=2.589 assign ( resid 42 and name HB*) ( resid 43 and name H) 3.1 0.6 0.6 volume=1.973 peak=2637 ppm1=1.422 ppm2=9.202 assign ( resid 86 and name HA) ( resid 86 and name H) 4.0 0.8 0.8 volume=0.431 peak=1667 ppm1=3.623 ppm2=8.069 assign ( resid 103 and name HA) ( resid 103 and name HB3) 3.9 0.8 0.8 volume=0.536 peak=900 ppm1=5.108 ppm2=3.375 assign ( resid 115 and name HB3) ( resid 115 and name HG3) 2.9 0.6 0.6 volume=3.370 peak=2372 ppm1=2.004 ppm2=2.198 assign ( resid 44 and name HA) ( resid 43 and name HA3) 4.5 0.9 0.9 volume=0.217 peak=327 ppm1=4.470 ppm2=4.038 assign ( resid 98 and name HB2) ( resid 98 and name HA) 4.1 0.8 0.8 volume=0.411 peak=1050 ppm1=1.408 ppm2=3.084 assign ( resid 10 and name HB) ( resid 9 and name HA) 4.4 0.9 0.9 volume=0.250 peak=1110 ppm1=2.140 ppm2=5.773 assign ( resid 114 and name HB2) ( resid 114 and name HE2) 4.4 0.9 0.9 volume=0.269 peak=2609 ppm1=1.744 ppm2=2.987 assign ( resid 35 and name HD2) ( resid 35 and name HG2) 3.0 0.6 0.6 volume=2.295 peak=1714 ppm1=1.599 ppm2=1.145 assign ( resid 39 and name HG2) ( resid 40 and name H) 4.8 1.0 1.0 volume=0.143 peak=3340 ppm1=1.831 ppm2=8.707 assign ( resid 27 and name HD1*) ( resid 27 and name HB3) 3.0 0.6 0.6 volume=2.365 peak=2699 ppm1=0.640 ppm2=1.794 assign ( resid 77 and name HB3) ( resid 78 and name H) 4.4 0.9 0.9 volume=0.270 peak=1311 ppm1=2.465 ppm2=8.552 assign ( resid 124 and name HG2*) ( resid 19 and name HE*) 3.5 0.7 0.7 volume=0.991 peak=2492 ppm1=1.569 ppm2=6.511 assign ( resid 91 and name HA) ( resid 91 and name HG2) 3.4 0.7 0.7 volume=1.113 peak=2909 ppm1=4.544 ppm2=2.223 assign ( resid 110 and name HD3) ( resid 109 and name HB3) 4.3 0.9 0.9 volume=0.274 peak=2305 ppm1=3.832 ppm2=1.330 assign ( resid 49 and name HB3) ( resid 50 and name H) 4.4 0.9 0.9 volume=0.237 peak=1973 ppm1=1.668 ppm2=7.523 assign ( resid 26 and name HB*) ( resid 27 and name HD2*) 3.3 0.7 0.7 volume=1.398 peak=756 ppm1=1.258 ppm2=0.811 assign ( resid 31 and name HG12) ( resid 32 and name H) 4.2 0.8 0.8 volume=0.349 peak=293 ppm1=0.798 ppm2=8.260 assign ( resid 27 and name HB2) ( resid 116 and name HD1*) 4.3 0.9 0.9 volume=0.276 peak=1268 ppm1=1.385 ppm2=0.375 assign ( resid 106 and name HB) ( resid 106 and name HG13) 4.3 0.9 0.9 volume=0.306 peak=2533 ppm1=1.721 ppm2=0.897 assign ( resid 67 and name HG2) ( resid 67 and name HA) 3.7 0.7 0.7 volume=0.667 peak=2186 ppm1=1.914 ppm2=4.956 assign ( resid 83 and name HA) ( resid 84 and name HA) 4.3 0.9 0.9 volume=0.303 peak=1216 ppm1=4.647 ppm2=5.653 assign ( resid 28 and name HA) ( resid 27 and name H) 5.8 1.2 1.2 volume=0.047 peak=2172 ppm1=4.983 ppm2=7.634 assign ( resid 116 and name HD1*) ( resid 19 and name HD*) 4.2 0.8 0.8 volume=0.330 peak=1241 ppm1=0.383 ppm2=6.864 assign ( resid 112 and name HG1*) ( resid 112 and name H) 3.1 0.6 0.6 volume=2.169 peak=2367 ppm1=0.880 ppm2=6.713 assign ( resid 116 and name HG) ( resid 116 and name HD1*) 3.7 0.7 0.7 volume=0.761 peak=1063 ppm1=1.144 ppm2=0.379 assign ( resid 75 and name HB2) ( resid 76 and name H) 4.9 1.0 1.0 volume=0.141 peak=555 ppm1=1.570 ppm2=8.186 assign ( resid 92 and name HA) ( resid 91 and name HB2) 4.2 0.8 0.8 volume=0.337 peak=1661 ppm1=4.437 ppm2=1.649 assign ( resid 98 and name HB3) ( resid 98 and name HD3) 3.6 0.7 0.7 volume=0.803 peak=2518 ppm1=1.436 ppm2=1.268 assign ( resid 119 and name HE*) ( resid 119 and name HG3) 3.3 0.7 0.7 volume=1.547 peak=1361 ppm1=2.078 ppm2=2.718 assign ( resid 4 and name HB3) ( resid 4 and name H) 3.6 0.7 0.7 volume=0.881 peak=93 ppm1=1.861 ppm2=8.348 assign ( resid 34 and name HA2) ( resid 34 and name H) 4.6 0.9 0.9 volume=0.187 peak=3297 ppm1=4.168 ppm2=8.169 assign ( resid 117 and name HB3) ( resid 118 and name HA2) 4.3 0.9 0.9 volume=0.275 peak=3131 ppm1=2.571 ppm2=3.811 assign ( resid 57 and name HA) ( resid 57 and name HG3) 3.4 0.7 0.7 volume=1.272 peak=873 ppm1=4.621 ppm2=1.153 assign ( resid 8 and name HD1*) ( resid 8 and name HB) 2.8 0.6 0.6 volume=4.090 peak=302 ppm1=0.631 ppm2=1.895 assign ( resid 16 and name HB3) ( resid 16 and name H) 4.4 0.9 0.9 volume=0.247 peak=618 ppm1=2.482 ppm2=8.061 assign ( resid 83 and name HD1*) ( resid 83 and name HG2*) 2.0 0.3 0.4 volume=26.698 peak=1951 ppm1=0.656 ppm2=0.743 assign ( resid 114 and name HA) ( resid 115 and name HB2) 4.4 0.9 0.9 volume=0.247 peak=2309 ppm1=2.797 ppm2=2.016 assign ( resid 127 and name HB2) ( resid 126 and name HA) 4.5 0.9 0.9 volume=0.218 peak=2657 ppm1=1.878 ppm2=4.938 assign ( resid 127 and name HB3) ( resid 127 and name H) 3.8 0.8 0.8 volume=0.607 peak=2386 ppm1=1.858 ppm2=9.576 assign ( resid 48 and name HB2) ( resid 48 and name HA) 4.1 0.8 0.8 volume=0.361 peak=2221 ppm1=2.790 ppm2=4.905 assign ( resid 50 and name HB2) ( resid 117 and name HE*) 4.6 0.9 0.9 volume=0.203 peak=384 ppm1=1.614 ppm2=7.414 assign ( resid 76 and name HD1*) ( resid 77 and name H) 4.4 0.9 0.9 volume=0.249 peak=2423 ppm1=0.150 ppm2=7.542 assign ( resid 98 and name HD3) ( resid 98 and name HE2) 3.0 0.6 0.6 volume=2.307 peak=2198 ppm1=1.268 ppm2=2.744 assign ( resid 56 and name HA) ( resid 56 and name HD2*) 3.9 0.8 0.8 volume=0.495 peak=209 ppm1=4.020 ppm2=-0.095 assign ( resid 124 and name HB) ( resid 124 and name H) 3.8 0.8 0.8 volume=0.633 peak=380 ppm1=3.794 ppm2=7.420 assign ( resid 122 and name HG2) ( resid 122 and name HB2) 3.2 0.6 0.6 volume=1.636 peak=3102 ppm1=1.064 ppm2=1.710 assign ( resid 76 and name HD1*) ( resid 128 and name HG1*) 3.0 0.6 0.6 volume=2.560 peak=2608 ppm1=0.152 ppm2=0.815 assign ( resid 70 and name HG2*) ( resid 54 and name H) 3.5 0.7 0.7 volume=1.022 peak=811 ppm1=0.513 ppm2=7.099 assign ( resid 76 and name HA) ( resid 76 and name HD1*) 4.0 0.8 0.8 volume=0.446 peak=2341 ppm1=5.593 ppm2=0.152 assign ( resid 83 and name HD1*) ( resid 83 and name H) 4.1 0.8 0.8 volume=0.395 peak=3345 ppm1=0.659 ppm2=8.310 assign ( resid 90 and name HD2) ( resid 89 and name HA) 3.7 0.7 0.7 volume=0.741 peak=1772 ppm1=4.110 ppm2=5.212 assign ( resid 125 and name HB2) ( resid 126 and name HA) 5.1 1.0 1.0 volume=0.100 peak=1554 ppm1=2.338 ppm2=4.938 assign ( resid 4 and name HB3) ( resid 4 and name HA) 3.4 0.7 0.7 volume=1.245 peak=2461 ppm1=1.859 ppm2=4.304 assign ( resid 100 and name HD3) ( resid 100 and name HD2) 2.7 0.5 0.5 volume=4.627 peak=1579 ppm1=3.108 ppm2=3.222 assign ( resid 24 and name HE3) ( resid 24 and name HA) 3.0 0.6 0.6 volume=2.682 peak=1700 ppm1=2.992 ppm2=4.763 assign ( resid 4 and name HA) ( resid 5 and name H) 3.0 0.6 0.6 volume=2.731 peak=1509 ppm1=4.308 ppm2=8.417 assign ( resid 70 and name HB) ( resid 71 and name HA) 5.0 1.0 1.0 volume=0.122 peak=1528 ppm1=2.684 ppm2=4.311 assign ( resid 51 and name HB2) ( resid 52 and name H) 4.0 0.8 0.8 volume=0.476 peak=2225 ppm1=2.191 ppm2=8.645 assign ( resid 113 and name HA) ( resid 113 and name HG2) 3.7 0.7 0.7 volume=0.740 peak=221 ppm1=4.093 ppm2=2.153 assign ( resid 125 and name HG2) ( resid 125 and name HA) 3.6 0.7 0.7 volume=0.854 peak=2577 ppm1=2.358 ppm2=4.491 assign ( resid 39 and name HD3) ( resid 38 and name H) 4.2 0.8 0.8 volume=0.316 peak=3082 ppm1=3.399 ppm2=7.728 assign ( resid 70 and name HG2*) ( resid 70 and name HB) 3.1 0.6 0.6 volume=2.098 peak=200 ppm1=0.514 ppm2=2.688 assign ( resid 8 and name HD1*) ( resid 8 and name H) 4.2 0.8 0.8 volume=0.323 peak=657 ppm1=0.630 ppm2=9.211 assign ( resid 60 and name HA) ( resid 60 and name HB3) 3.3 0.7 0.7 volume=1.536 peak=1569 ppm1=4.920 ppm2=3.041 assign ( resid 95 and name HB2) ( resid 98 and name HD2) 3.9 0.8 0.8 volume=0.555 peak=562 ppm1=2.601 ppm2=1.253 assign ( resid 114 and name HB2) ( resid 114 and name HG3) 3.7 0.7 0.7 volume=0.729 peak=1651 ppm1=1.744 ppm2=1.319 assign ( resid 114 and name HE3) ( resid 114 and name HD3) 2.4 0.5 0.5 volume=8.960 peak=2170 ppm1=3.015 ppm2=1.712 assign ( resid 68 and name HB2) ( resid 56 and name HD1*) 4.7 0.9 0.9 volume=0.170 peak=768 ppm1=3.445 ppm2=-0.694 assign ( resid 52 and name HB3) ( resid 51 and name HA) 3.9 0.8 0.8 volume=0.493 peak=3196 ppm1=1.909 ppm2=4.937 assign ( resid 90 and name HG2) ( resid 90 and name HA) 3.7 0.7 0.7 volume=0.700 peak=3049 ppm1=1.950 ppm2=4.493 assign ( resid 103 and name HB3) ( resid 103 and name HB2) 3.4 0.7 0.7 volume=1.092 peak=2142 ppm1=3.367 ppm2=3.687 assign ( resid 80 and name HA2) ( resid 81 and name HB) 5.7 1.1 1.1 volume=0.053 peak=2804 ppm1=4.675 ppm2=1.760 assign ( resid 128 and name HA) ( resid 128 and name HG2*) 3.4 0.7 0.7 volume=1.154 peak=3209 ppm1=5.052 ppm2=0.843 assign ( resid 121 and name HB3) ( resid 121 and name HG3) 3.1 0.6 0.6 volume=1.893 peak=1087 ppm1=2.073 ppm2=2.247 assign ( resid 5 and name HB3) ( resid 7 and name HE*) 4.1 0.8 0.8 volume=0.376 peak=3444 ppm1=2.685 ppm2=6.325 assign ( resid 45 and name HA) ( resid 44 and name HA) 4.9 1.0 1.0 volume=0.135 peak=1484 ppm1=5.057 ppm2=4.470 assign ( resid 14 and name HB3) ( resid 14 and name HD22) 3.9 0.8 0.8 volume=0.495 peak=2345 ppm1=2.270 ppm2=9.012 assign ( resid 21 and name HD2) ( resid 21 and name HE3) 3.1 0.6 0.6 volume=1.919 peak=3287 ppm1=1.606 ppm2=3.015 assign ( resid 9 and name HA) ( resid 8 and name HB) 3.7 0.7 0.7 volume=0.673 peak=1657 ppm1=5.773 ppm2=1.895 assign ( resid 47 and name HG2*) ( resid 48 and name HA) 3.8 0.8 0.8 volume=0.615 peak=2159 ppm1=0.679 ppm2=4.907 assign ( resid 54 and name HB*) ( resid 55 and name HA) 3.3 0.7 0.7 volume=1.406 peak=3502 ppm1=0.909 ppm2=4.349 assign ( resid 69 and name HB2) ( resid 70 and name H) 3.7 0.7 0.7 volume=0.682 peak=1640 ppm1=2.199 ppm2=8.620 assign ( resid 96 and name HG) ( resid 96 and name H) 3.5 0.7 0.7 volume=0.935 peak=1305 ppm1=1.732 ppm2=7.913 assign ( resid 65 and name HD3) ( resid 66 and name H) 4.5 0.9 0.9 volume=0.211 peak=1479 ppm1=3.701 ppm2=8.110 assign ( resid 114 and name HB3) ( resid 114 and name H) 3.3 0.7 0.7 volume=1.386 peak=432 ppm1=1.770 ppm2=7.511 assign ( resid 55 and name HA) ( resid 56 and name HB2) 4.4 0.9 0.9 volume=0.245 peak=3223 ppm1=4.349 ppm2=1.392 assign ( resid 69 and name HG3) ( resid 70 and name H) 4.1 0.8 0.8 volume=0.373 peak=2410 ppm1=2.183 ppm2=8.625 assign ( resid 65 and name HB3) ( resid 66 and name H) 3.8 0.8 0.8 volume=0.626 peak=2295 ppm1=2.242 ppm2=8.106 assign ( resid 100 and name HB2) ( resid 101 and name H) 4.1 0.8 0.8 volume=0.416 peak=123 ppm1=2.298 ppm2=7.182 assign ( resid 21 and name HE2) ( resid 21 and name HG3) 2.8 0.6 0.6 volume=3.860 peak=2241 ppm1=3.009 ppm2=1.203 assign ( resid 9 and name HB2) ( resid 9 and name H) 4.0 0.8 0.8 volume=0.447 peak=2881 ppm1=2.453 ppm2=9.754 assign ( resid 56 and name HA) ( resid 56 and name HG) 3.8 0.8 0.8 volume=0.588 peak=97 ppm1=4.017 ppm2=0.982 assign ( resid 21 and name HG2) ( resid 21 and name H) 4.3 0.9 0.9 volume=0.287 peak=2707 ppm1=1.215 ppm2=8.465 assign ( resid 97 and name HA) ( resid 96 and name HB3) 3.6 0.7 0.7 volume=0.826 peak=662 ppm1=3.739 ppm2=1.130 assign ( resid 25 and name HA) ( resid 26 and name HA) 3.4 0.7 0.7 volume=1.098 peak=158 ppm1=3.261 ppm2=4.452 assign ( resid 116 and name HB2) ( resid 116 and name HG) 3.7 0.7 0.7 volume=0.706 peak=670 ppm1=1.228 ppm2=1.144 assign ( resid 55 and name HA) ( resid 56 and name HA) 4.6 0.9 0.9 volume=0.198 peak=708 ppm1=4.348 ppm2=4.026 assign ( resid 25 and name HA) ( resid 25 and name H) 3.8 0.8 0.8 volume=0.568 peak=1795 ppm1=3.260 ppm2=8.694 assign ( resid 10 and name HG1*) ( resid 10 and name HB) 3.2 0.6 0.6 volume=1.768 peak=2470 ppm1=0.621 ppm2=2.140 assign ( resid 81 and name HB) ( resid 81 and name HA) 4.0 0.8 0.8 volume=0.437 peak=2004 ppm1=1.760 ppm2=4.291 assign ( resid 36 and name HD2) ( resid 37 and name H) 5.4 1.1 1.1 volume=0.076 peak=2819 ppm1=4.028 ppm2=7.306 assign ( resid 122 and name HB2) ( resid 122 and name HE2) 3.9 0.8 0.8 volume=0.500 peak=81 ppm1=1.692 ppm2=3.049 assign ( resid 128 and name HG2*) ( resid 128 and name HA) 3.4 0.7 0.7 volume=1.249 peak=1753 ppm1=0.836 ppm2=5.074 assign ( resid 100 and name HD2) ( resid 100 and name HB2) 3.7 0.7 0.7 volume=0.764 peak=3085 ppm1=3.226 ppm2=2.294 assign ( resid 37 and name HB) ( resid 37 and name HA) 3.1 0.6 0.6 volume=2.035 peak=1295 ppm1=4.425 ppm2=4.273 assign ( resid 50 and name HE2) ( resid 50 and name HB3) 2.9 0.6 0.6 volume=3.049 peak=881 ppm1=3.005 ppm2=1.320 assign ( resid 47 and name HB) ( resid 47 and name HG2*) 3.1 0.6 0.6 volume=2.140 peak=685 ppm1=1.957 ppm2=0.676 assign ( resid 37 and name HA) ( resid 36 and name HA) 2.8 0.6 0.6 volume=4.033 peak=27 ppm1=4.266 ppm2=4.379 assign ( resid 38 and name HB) ( resid 39 and name HD3) 4.1 0.8 0.8 volume=0.406 peak=2473 ppm1=4.346 ppm2=3.407 assign ( resid 56 and name HD1*) ( resid 70 and name HG1*) 3.6 0.7 0.7 volume=0.831 peak=3490 ppm1=-0.689 ppm2=0.765 assign ( resid 115 and name HG2) ( resid 115 and name HB2) 2.6 0.5 0.5 volume=5.660 peak=918 ppm1=2.350 ppm2=2.016 assign ( resid 74 and name HB3) ( resid 74 and name H) 4.5 0.9 0.9 volume=0.226 peak=2597 ppm1=2.046 ppm2=7.924 assign ( resid 10 and name HG1*) ( resid 10 and name H) 4.0 0.8 0.8 volume=0.469 peak=1567 ppm1=0.622 ppm2=9.793 assign ( resid 109 and name HB3) ( resid 109 and name HB2) 3.7 0.7 0.7 volume=0.774 peak=1927 ppm1=1.341 ppm2=2.016 assign ( resid 5 and name HB2) ( resid 7 and name HE*) 4.1 0.8 0.8 volume=0.386 peak=3286 ppm1=2.692 ppm2=6.326 assign ( resid 127 and name HB3) ( resid 127 and name HA) 3.6 0.7 0.7 volume=0.813 peak=787 ppm1=1.858 ppm2=5.067 assign ( resid 75 and name HA) ( resid 76 and name HD1*) 4.5 0.9 0.9 volume=0.212 peak=1092 ppm1=3.419 ppm2=0.153 assign ( resid 26 and name HA) ( resid 26 and name H) 3.5 0.7 0.7 volume=0.928 peak=781 ppm1=4.449 ppm2=9.294 assign ( resid 120 and name HG1*) ( resid 19 and name HD*) 4.4 0.9 0.9 volume=0.266 peak=3261 ppm1=0.166 ppm2=6.870 assign ( resid 87 and name HB3) ( resid 87 and name H) 3.7 0.7 0.7 volume=0.663 peak=602 ppm1=2.728 ppm2=9.738 assign ( resid 52 and name HB3) ( resid 53 and name HA) 3.5 0.7 0.7 volume=0.991 peak=2955 ppm1=1.909 ppm2=4.392 assign ( resid 124 and name HG2*) ( resid 8 and name HA) 4.3 0.9 0.9 volume=0.307 peak=905 ppm1=1.569 ppm2=5.315 assign ( resid 64 and name HA) ( resid 63 and name HA3) 3.3 0.7 0.7 volume=1.351 peak=2530 ppm1=4.570 ppm2=4.351 assign ( resid 72 and name HA) ( resid 71 and name HB2) 3.9 0.8 0.8 volume=0.535 peak=1889 ppm1=4.482 ppm2=2.416 assign ( resid 112 and name HB) ( resid 111 and name HA) 3.7 0.7 0.7 volume=0.671 peak=1909 ppm1=1.759 ppm2=3.889 assign ( resid 15 and name HG3) ( resid 15 and name HB3) 4.5 0.9 0.9 volume=0.215 peak=3518 ppm1=2.934 ppm2=2.522 assign ( resid 54 and name HA) ( resid 55 and name HA) 3.9 0.8 0.8 volume=0.510 peak=1980 ppm1=4.499 ppm2=4.349 assign ( resid 95 and name HA) ( resid 96 and name H) 4.1 0.8 0.8 volume=0.373 peak=2856 ppm1=5.163 ppm2=7.928 assign ( resid 46 and name HB3) ( resid 46 and name HA) 4.0 0.8 0.8 volume=0.439 peak=1996 ppm1=2.430 ppm2=5.173 assign ( resid 120 and name HG1*) ( resid 120 and name H) 3.1 0.6 0.6 volume=1.929 peak=2750 ppm1=0.167 ppm2=7.304 assign ( resid 89 and name HB3) ( resid 90 and name HD3) 4.9 1.0 1.0 volume=0.128 peak=3123 ppm1=1.639 ppm2=3.992 assign ( resid 51 and name HG2) ( resid 52 and name H) 3.6 0.7 0.7 volume=0.836 peak=447 ppm1=2.215 ppm2=8.645 assign ( resid 40 and name HG2*) ( resid 76 and name HD1*) 4.5 0.9 0.9 volume=0.235 peak=2078 ppm1=1.190 ppm2=0.150 assign ( resid 60 and name HA) ( resid 59 and name HB) 5.1 1.0 1.0 volume=0.106 peak=519 ppm1=4.920 ppm2=3.867 assign ( resid 65 and name HB3) ( resid 66 and name HA) 3.8 0.8 0.8 volume=0.589 peak=2193 ppm1=2.238 ppm2=4.900 assign ( resid 126 and name HA) ( resid 126 and name H) 3.7 0.7 0.7 volume=0.703 peak=893 ppm1=4.938 ppm2=8.527 assign ( resid 62 and name HB3) ( resid 62 and name H) 4.0 0.8 0.8 volume=0.473 peak=1706 ppm1=2.626 ppm2=7.730 assign ( resid 12 and name HD2*) ( resid 33 and name HG) 3.9 0.8 0.8 volume=0.563 peak=2136 ppm1=0.410 ppm2=5.903 assign ( resid 115 and name HB3) ( resid 115 and name HA) 3.0 0.6 0.6 volume=2.325 peak=539 ppm1=2.004 ppm2=3.953 assign ( resid 45 and name HA) ( resid 45 and name H) 4.4 0.9 0.9 volume=0.245 peak=2570 ppm1=5.057 ppm2=9.265 assign ( resid 123 and name HA3) ( resid 122 and name HA) 5.9 1.2 1.2 volume=0.043 peak=156 ppm1=3.350 ppm2=3.688 assign ( resid 4 and name HB2) ( resid 4 and name H) 3.7 0.7 0.7 volume=0.688 peak=3005 ppm1=2.059 ppm2=8.348 assign ( resid 59 and name HG2*) ( resid 59 and name HB) 2.8 0.6 0.6 volume=4.039 peak=1349 ppm1=1.138 ppm2=3.873 assign ( resid 36 and name HG3) ( resid 35 and name HA) 4.9 1.0 1.0 volume=0.134 peak=399 ppm1=2.025 ppm2=5.117 assign ( resid 113 and name HG2) ( resid 113 and name HG3) 4.3 0.9 0.9 volume=0.298 peak=1702 ppm1=2.148 ppm2=3.545 assign ( resid 37 and name HA) ( resid 37 and name HB) 3.0 0.6 0.6 volume=2.325 peak=1343 ppm1=4.268 ppm2=4.425 assign ( resid 41 and name HG3) ( resid 40 and name HA) 3.8 0.8 0.8 volume=0.573 peak=493 ppm1=1.974 ppm2=4.466 assign ( resid 98 and name HG2) ( resid 98 and name H) 4.2 0.8 0.8 volume=0.339 peak=2960 ppm1=-0.174 ppm2=6.530 assign ( resid 2 and name HB2) ( resid 2 and name HD2) 4.4 0.9 0.9 volume=0.248 peak=903 ppm1=3.149 ppm2=7.088 assign ( resid 113 and name HA) ( resid 112 and name H) 4.5 0.9 0.9 volume=0.228 peak=2404 ppm1=4.093 ppm2=6.713 assign ( resid 24 and name HB3) ( resid 24 and name HD3) 2.5 0.5 0.5 volume=7.958 peak=316 ppm1=1.770 ppm2=1.670 assign ( resid 115 and name HG3) ( resid 115 and name HB2) 2.6 0.5 0.5 volume=6.302 peak=698 ppm1=2.198 ppm2=2.016 assign ( resid 31 and name HA) ( resid 30 and name HB3) 4.5 0.9 0.9 volume=0.233 peak=1099 ppm1=5.090 ppm2=2.659 assign ( resid 35 and name HB2) ( resid 35 and name HD3) 4.0 0.8 0.8 volume=0.469 peak=1185 ppm1=2.161 ppm2=1.345 assign ( resid 98 and name HB2) ( resid 98 and name HG2) 4.0 0.8 0.8 volume=0.431 peak=277 ppm1=1.408 ppm2=-0.173 assign ( resid 90 and name HD2) ( resid 90 and name HA) 4.5 0.9 0.9 volume=0.212 peak=1253 ppm1=4.110 ppm2=4.493 assign ( resid 116 and name HG) ( resid 116 and name HB2) 3.8 0.8 0.8 volume=0.590 peak=909 ppm1=1.144 ppm2=1.228 assign ( resid 122 and name HB3) ( resid 122 and name HA) 3.5 0.7 0.7 volume=0.944 peak=219 ppm1=1.699 ppm2=3.688 assign ( resid 10 and name HB) ( resid 10 and name HG2*) 3.3 0.7 0.7 volume=1.500 peak=47 ppm1=2.140 ppm2=0.705 assign ( resid 100 and name HG3) ( resid 100 and name HE) 4.4 0.9 0.9 volume=0.261 peak=2525 ppm1=1.640 ppm2=7.195 assign ( resid 93 and name HA2) ( resid 94 and name HA2) 4.5 0.9 0.9 volume=0.230 peak=2862 ppm1=4.398 ppm2=3.864 assign ( resid 30 and name HB2) ( resid 31 and name H) 4.1 0.8 0.8 volume=0.363 peak=2452 ppm1=2.580 ppm2=7.644 assign ( resid 4 and name HG2) ( resid 4 and name HB2) 2.3 0.5 0.5 volume=11.088 peak=509 ppm1=2.231 ppm2=2.059 assign ( resid 101 and name HA3) ( resid 102 and name H) 4.5 0.9 0.9 volume=0.227 peak=2876 ppm1=4.237 ppm2=8.491 assign ( resid 57 and name HG2) ( resid 57 and name HD3) 3.0 0.6 0.6 volume=2.571 peak=1678 ppm1=1.133 ppm2=1.518 assign ( resid 122 and name HA) ( resid 122 and name HG2) 3.9 0.8 0.8 volume=0.547 peak=3198 ppm1=3.690 ppm2=1.059 assign ( resid 102 and name HA) ( resid 102 and name HB3) 3.6 0.7 0.7 volume=0.781 peak=1169 ppm1=4.631 ppm2=3.775 assign ( resid 70 and name HG2*) ( resid 56 and name HD2*) 3.3 0.7 0.7 volume=1.310 peak=1470 ppm1=0.513 ppm2=-0.095 assign ( resid 109 and name HG2) ( resid 109 and name HB3) 3.5 0.7 0.7 volume=0.920 peak=1012 ppm1=-0.094 ppm2=1.330 assign ( resid 8 and name HG2*) ( resid 8 and name HA) 3.4 0.7 0.7 volume=1.259 peak=2065 ppm1=0.884 ppm2=5.325 assign ( resid 44 and name HB) ( resid 44 and name HA) 3.8 0.8 0.8 volume=0.576 peak=278 ppm1=1.779 ppm2=4.470 assign ( resid 41 and name HA) ( resid 41 and name HG3) 3.3 0.7 0.7 volume=1.442 peak=1258 ppm1=4.305 ppm2=1.974 assign ( resid 83 and name HA) ( resid 84 and name H) 4.0 0.8 0.8 volume=0.444 peak=2317 ppm1=4.647 ppm2=8.058 assign ( resid 86 and name HA) ( resid 86 and name HB3) 4.0 0.8 0.8 volume=0.418 peak=2587 ppm1=3.623 ppm2=2.196 assign ( resid 110 and name HA) ( resid 110 and name HD3) 4.3 0.9 0.9 volume=0.305 peak=162 ppm1=3.981 ppm2=3.832 assign ( resid 14 and name HB3) ( resid 14 and name HA) 3.9 0.8 0.8 volume=0.548 peak=1779 ppm1=2.270 ppm2=4.830 assign ( resid 115 and name HA) ( resid 114 and name HB2) 3.8 0.8 0.8 volume=0.572 peak=449 ppm1=3.952 ppm2=1.763 assign ( resid 100 and name HG3) ( resid 100 and name HD3) 3.6 0.7 0.7 volume=0.862 peak=163 ppm1=1.640 ppm2=3.106 assign ( resid 15 and name HB2) ( resid 15 and name HB3) 4.2 0.8 0.8 volume=0.343 peak=727 ppm1=2.245 ppm2=2.540 assign ( resid 57 and name HE3) ( resid 57 and name HG3) 2.8 0.6 0.6 volume=3.935 peak=1011 ppm1=2.783 ppm2=1.153 assign ( resid 12 and name HB3) ( resid 12 and name H) 4.3 0.9 0.9 volume=0.305 peak=1434 ppm1=0.958 ppm2=9.570 assign ( resid 44 and name HG1*) ( resid 44 and name HB) 2.8 0.6 0.6 volume=4.214 peak=2196 ppm1=0.797 ppm2=1.785 assign ( resid 89 and name HB2) ( resid 90 and name HA) 4.9 1.0 1.0 volume=0.131 peak=543 ppm1=1.172 ppm2=4.493 assign ( resid 20 and name HA) ( resid 19 and name HB3) 3.5 0.7 0.7 volume=1.024 peak=931 ppm1=4.450 ppm2=2.733 assign ( resid 90 and name HB3) ( resid 91 and name HA) 3.4 0.7 0.7 volume=1.268 peak=2373 ppm1=2.305 ppm2=4.544 assign ( resid 85 and name HA) ( resid 85 and name HB2) 3.5 0.7 0.7 volume=1.035 peak=23 ppm1=5.151 ppm2=2.710 assign ( resid 3 and name HE*) ( resid 3 and name HA) 3.7 0.7 0.7 volume=0.712 peak=3380 ppm1=1.944 ppm2=4.336 assign ( resid 29 and name HA) ( resid 28 and name HB3) 4.9 1.0 1.0 volume=0.140 peak=1368 ppm1=4.344 ppm2=1.530 assign ( resid 90 and name HA) ( resid 90 and name HB2) 2.9 0.6 0.6 volume=2.893 peak=3262 ppm1=4.494 ppm2=1.991 assign ( resid 72 and name HB3) ( resid 72 and name HA) 4.1 0.8 0.8 volume=0.397 peak=767 ppm1=2.425 ppm2=4.482 assign ( resid 125 and name HG2) ( resid 126 and name H) 5.6 1.1 1.1 volume=0.062 peak=1056 ppm1=2.360 ppm2=8.537 assign ( resid 12 and name HB3) ( resid 13 and name H) 4.6 0.9 0.9 volume=0.206 peak=654 ppm1=0.949 ppm2=9.100 assign ( resid 41 and name HB3) ( resid 40 and name HA) 3.9 0.8 0.8 volume=0.543 peak=3144 ppm1=2.257 ppm2=4.466 assign ( resid 86 and name HB3) ( resid 86 and name H) 4.9 1.0 1.0 volume=0.129 peak=299 ppm1=2.202 ppm2=8.083 assign ( resid 114 and name HB3) ( resid 115 and name HA) 4.2 0.8 0.8 volume=0.356 peak=392 ppm1=1.770 ppm2=3.953 assign ( resid 24 and name HE2) ( resid 24 and name HB3) 3.1 0.6 0.6 volume=2.143 peak=2853 ppm1=3.044 ppm2=1.770 assign ( resid 83 and name HA) ( resid 83 and name HB) 4.1 0.8 0.8 volume=0.361 peak=315 ppm1=4.647 ppm2=1.461 assign ( resid 119 and name HE*) ( resid 115 and name HA) 3.9 0.8 0.8 volume=0.500 peak=808 ppm1=2.078 ppm2=3.947 assign ( resid 27 and name HD2*) ( resid 27 and name HG) 3.7 0.7 0.7 volume=0.712 peak=2762 ppm1=0.818 ppm2=1.526 assign ( resid 71 and name HB3) ( resid 71 and name HD22) 4.2 0.8 0.8 volume=0.350 peak=3317 ppm1=1.763 ppm2=6.958 assign ( resid 47 and name HG2*) ( resid 47 and name HB) 3.0 0.6 0.6 volume=2.328 peak=1429 ppm1=0.676 ppm2=1.957 assign ( resid 26 and name HA) ( resid 25 and name HB) 4.8 1.0 1.0 volume=0.148 peak=2256 ppm1=4.448 ppm2=1.919 assign ( resid 88 and name HB2) ( resid 88 and name HD1) 3.9 0.8 0.8 volume=0.484 peak=1383 ppm1=3.480 ppm2=7.033 assign ( resid 77 and name HA) ( resid 77 and name HB3) 4.4 0.9 0.9 volume=0.258 peak=1447 ppm1=4.686 ppm2=2.465 assign ( resid 57 and name HB2) ( resid 57 and name HA) 3.7 0.7 0.7 volume=0.682 peak=469 ppm1=1.456 ppm2=4.599 assign ( resid 117 and name HB3) ( resid 117 and name HA) 4.2 0.8 0.8 volume=0.314 peak=2938 ppm1=2.571 ppm2=3.784 assign ( resid 49 and name HA) ( resid 49 and name HB2) 3.9 0.8 0.8 volume=0.522 peak=1023 ppm1=4.640 ppm2=2.613 assign ( resid 65 and name HD2) ( resid 65 and name HG3) 3.2 0.6 0.6 volume=1.641 peak=933 ppm1=3.894 ppm2=2.019 assign ( resid 21 and name HD3) ( resid 21 and name HG2) 3.1 0.6 0.6 volume=1.941 peak=2131 ppm1=1.758 ppm2=1.215 assign ( resid 119 and name HG3) ( resid 120 and name H) 3.6 0.7 0.7 volume=0.781 peak=928 ppm1=2.710 ppm2=7.316 assign ( resid 36 and name HB3) ( resid 35 and name HA) 4.7 0.9 0.9 volume=0.163 peak=2540 ppm1=2.008 ppm2=5.117 assign ( resid 111 and name HA) ( resid 112 and name HB) 3.8 0.8 0.8 volume=0.575 peak=1373 ppm1=3.890 ppm2=1.754 assign ( resid 50 and name HB2) ( resid 50 and name H) 4.3 0.9 0.9 volume=0.310 peak=150 ppm1=1.612 ppm2=7.523 assign ( resid 6 and name HG2*) ( resid 6 and name HA) 3.2 0.6 0.6 volume=1.656 peak=2335 ppm1=1.590 ppm2=5.230 assign ( resid 39 and name HA) ( resid 39 and name HG3) 3.5 0.7 0.7 volume=0.934 peak=844 ppm1=4.183 ppm2=1.988 assign ( resid 110 and name HB3) ( resid 110 and name HB2) 3.3 0.7 0.7 volume=1.506 peak=766 ppm1=2.647 ppm2=2.122 assign ( resid 110 and name HG2) ( resid 110 and name HB2) 3.3 0.7 0.7 volume=1.320 peak=2895 ppm1=2.366 ppm2=2.128 assign ( resid 29 and name HG2*) ( resid 30 and name H) 4.0 0.8 0.8 volume=0.476 peak=684 ppm1=0.560 ppm2=8.398 assign ( resid 25 and name HG2*) ( resid 27 and name H) 4.0 0.8 0.8 volume=0.444 peak=916 ppm1=0.683 ppm2=7.624 assign ( resid 46 and name HA) ( resid 46 and name HE*) 4.1 0.8 0.8 volume=0.415 peak=1745 ppm1=5.176 ppm2=6.832 assign ( resid 84 and name HA) ( resid 84 and name HB3) 3.8 0.8 0.8 volume=0.611 peak=2602 ppm1=5.650 ppm2=3.918 assign ( resid 96 and name HD2*) ( resid 96 and name HB3) 3.2 0.6 0.6 volume=1.720 peak=2084 ppm1=0.726 ppm2=1.130 assign ( resid 114 and name HG2) ( resid 114 and name HA) 3.7 0.7 0.7 volume=0.756 peak=3224 ppm1=1.139 ppm2=2.797 assign ( resid 113 and name HE*) ( resid 113 and name HG3) 3.5 0.7 0.7 volume=1.050 peak=91 ppm1=2.085 ppm2=3.551 assign ( resid 20 and name HB3) ( resid 20 and name HA) 4.3 0.9 0.9 volume=0.299 peak=1170 ppm1=1.867 ppm2=4.443 assign ( resid 50 and name HB2) ( resid 50 and name HD2) 3.6 0.7 0.7 volume=0.870 peak=452 ppm1=1.612 ppm2=1.820 assign ( resid 113 and name HE*) ( resid 84 and name H) 4.3 0.9 0.9 volume=0.290 peak=2905 ppm1=2.087 ppm2=8.068 assign ( resid 26 and name HB*) ( resid 27 and name HA) 2.6 0.5 0.5 volume=5.373 peak=3023 ppm1=1.256 ppm2=4.487 assign ( resid 109 and name HB3) ( resid 109 and name HG2) 4.2 0.8 0.8 volume=0.320 peak=2312 ppm1=1.330 ppm2=-0.095 assign ( resid 21 and name HD2) ( resid 21 and name HB3) 3.3 0.7 0.7 volume=1.449 peak=867 ppm1=1.606 ppm2=1.105 assign ( resid 15 and name HB3) ( resid 15 and name HG2) 4.7 0.9 0.9 volume=0.174 peak=2413 ppm1=2.542 ppm2=2.121 assign ( resid 24 and name HG2) ( resid 24 and name HD2) 2.5 0.5 0.5 volume=7.477 peak=3455 ppm1=1.408 ppm2=1.708 assign ( resid 24 and name HE2) ( resid 24 and name HD3) 3.1 0.6 0.6 volume=1.979 peak=2808 ppm1=3.044 ppm2=1.670 assign ( resid 109 and name HG3) ( resid 109 and name HD2) 4.0 0.8 0.8 volume=0.431 peak=2922 ppm1=1.385 ppm2=2.950 assign ( resid 4 and name HG3) ( resid 4 and name HB2) 2.4 0.5 0.5 volume=10.861 peak=1442 ppm1=2.240 ppm2=2.059 assign ( resid 13 and name HG2) ( resid 13 and name H) 3.6 0.7 0.7 volume=0.783 peak=3037 ppm1=2.274 ppm2=9.098 assign ( resid 96 and name HB3) ( resid 96 and name HB2) 3.7 0.7 0.7 volume=0.763 peak=2866 ppm1=1.131 ppm2=2.103 assign ( resid 98 and name HA) ( resid 98 and name HD3) 4.0 0.8 0.8 volume=0.472 peak=2147 ppm1=3.084 ppm2=1.268 assign ( resid 109 and name HG3) ( resid 109 and name HG2) 3.8 0.8 0.8 volume=0.578 peak=342 ppm1=1.387 ppm2=-0.095 assign ( resid 106 and name HA) ( resid 105 and name HB3) 4.3 0.9 0.9 volume=0.297 peak=1177 ppm1=3.809 ppm2=3.491 assign ( resid 127 and name HB3) ( resid 127 and name HD2*) 3.1 0.6 0.6 volume=1.975 peak=566 ppm1=1.858 ppm2=0.846 assign ( resid 65 and name HA) ( resid 65 and name HD2) 4.2 0.8 0.8 volume=0.340 peak=1064 ppm1=4.979 ppm2=3.894 assign ( resid 23 and name HA3) ( resid 24 and name HA) 4.4 0.9 0.9 volume=0.247 peak=503 ppm1=3.771 ppm2=4.763 assign ( resid 116 and name HA) ( resid 116 and name HB3) 3.8 0.8 0.8 volume=0.646 peak=1047 ppm1=3.573 ppm2=1.777 assign ( resid 11 and name HB2) ( resid 11 and name HB3) 3.8 0.8 0.8 volume=0.625 peak=806 ppm1=2.850 ppm2=3.121 assign ( resid 110 and name HD3) ( resid 109 and name HA) 3.6 0.7 0.7 volume=0.806 peak=2793 ppm1=3.832 ppm2=4.442 assign ( resid 75 and name HD3) ( resid 75 and name HD2) 3.9 0.8 0.8 volume=0.553 peak=1781 ppm1=1.016 ppm2=3.155 assign ( resid 59 and name HB) ( resid 59 and name HA) 3.0 0.6 0.6 volume=2.745 peak=2246 ppm1=3.867 ppm2=4.803 assign ( resid 96 and name HA) ( resid 97 and name H) 4.8 1.0 1.0 volume=0.155 peak=2277 ppm1=3.877 ppm2=9.609 assign ( resid 13 and name HA) ( resid 14 and name HA) 5.0 1.0 1.0 volume=0.114 peak=2767 ppm1=4.000 ppm2=4.808 assign ( resid 5 and name HA) ( resid 5 and name H) 3.6 0.7 0.7 volume=0.854 peak=2584 ppm1=4.677 ppm2=8.429 assign ( resid 100 and name HG2) ( resid 100 and name H) 3.7 0.7 0.7 volume=0.687 peak=3484 ppm1=1.667 ppm2=8.891 assign ( resid 103 and name HB2) ( resid 104 and name H) 5.0 1.0 1.0 volume=0.112 peak=3253 ppm1=3.688 ppm2=8.806 assign ( resid 79 and name HA) ( resid 80 and name H) 3.8 0.8 0.8 volume=0.603 peak=2893 ppm1=4.680 ppm2=7.915 assign ( resid 62 and name HA) ( resid 63 and name H) 3.7 0.7 0.7 volume=0.696 peak=285 ppm1=4.532 ppm2=8.139 assign ( resid 92 and name HA) ( resid 92 and name HB3) 4.2 0.8 0.8 volume=0.346 peak=2542 ppm1=4.437 ppm2=2.329 assign ( resid 59 and name HG2*) ( resid 60 and name H) 3.4 0.7 0.7 volume=1.292 peak=1467 ppm1=1.138 ppm2=9.428 assign ( resid 55 and name HB) ( resid 54 and name HA) 3.8 0.8 0.8 volume=0.567 peak=274 ppm1=3.730 ppm2=4.499 assign ( resid 114 and name HB2) ( resid 114 and name HD2) 2.6 0.5 0.5 volume=6.169 peak=632 ppm1=1.744 ppm2=1.688 assign ( resid 39 and name HA) ( resid 40 and name HA) 4.1 0.8 0.8 volume=0.363 peak=1746 ppm1=4.183 ppm2=4.466 assign ( resid 19 and name HB2) ( resid 19 and name H) 4.6 0.9 0.9 volume=0.187 peak=1885 ppm1=2.558 ppm2=9.157 assign ( resid 28 and name HB2) ( resid 28 and name HG3) 2.8 0.6 0.6 volume=3.575 peak=3320 ppm1=1.930 ppm2=1.933 assign ( resid 6 and name HA) ( resid 5 and name HB3) 4.2 0.8 0.8 volume=0.319 peak=3393 ppm1=5.223 ppm2=2.684 assign ( resid 28 and name HB3) ( resid 28 and name HG2) 3.5 0.7 0.7 volume=1.007 peak=3404 ppm1=1.530 ppm2=2.027 assign ( resid 64 and name HB) ( resid 65 and name HD3) 3.3 0.7 0.7 volume=1.472 peak=2399 ppm1=4.335 ppm2=3.703 assign ( resid 106 and name HA) ( resid 106 and name HB) 4.0 0.8 0.8 volume=0.448 peak=1144 ppm1=3.809 ppm2=1.721 assign ( resid 79 and name HG2*) ( resid 78 and name HD1) 4.8 1.0 1.0 volume=0.150 peak=2969 ppm1=1.090 ppm2=6.941 assign ( resid 35 and name HG3) ( resid 35 and name H) 4.5 0.9 0.9 volume=0.222 peak=2563 ppm1=1.600 ppm2=8.332 assign ( resid 124 and name HA) ( resid 125 and name HD3) 3.7 0.7 0.7 volume=0.747 peak=2701 ppm1=4.458 ppm2=4.314 assign ( resid 63 and name HA3) ( resid 63 and name H) 3.3 0.7 0.7 volume=1.328 peak=2171 ppm1=4.363 ppm2=8.140 assign ( resid 110 and name HA) ( resid 110 and name HB2) 3.6 0.7 0.7 volume=0.889 peak=2911 ppm1=3.981 ppm2=2.128 assign ( resid 65 and name HD2) ( resid 64 and name HB) 3.7 0.7 0.7 volume=0.738 peak=2307 ppm1=3.894 ppm2=4.335 assign ( resid 23 and name HA2) ( resid 22 and name HB2) 3.7 0.7 0.7 volume=0.720 peak=241 ppm1=4.210 ppm2=2.683 assign ( resid 78 and name HA) ( resid 78 and name HB2) 3.7 0.7 0.7 volume=0.749 peak=497 ppm1=5.155 ppm2=3.103 assign ( resid 125 and name HA) ( resid 125 and name HB3) 3.5 0.7 0.7 volume=1.000 peak=2846 ppm1=4.491 ppm2=1.935 assign ( resid 70 and name HA) ( resid 71 and name HB2) 4.0 0.8 0.8 volume=0.450 peak=646 ppm1=4.726 ppm2=2.436 assign ( resid 69 and name HG2) ( resid 69 and name HA) 3.5 0.7 0.7 volume=1.020 peak=3060 ppm1=1.893 ppm2=4.836 assign ( resid 110 and name HD2) ( resid 110 and name HB2) 4.0 0.8 0.8 volume=0.465 peak=1797 ppm1=3.926 ppm2=2.128 assign ( resid 42 and name HB*) ( resid 128 and name HA) 4.7 0.9 0.9 volume=0.162 peak=1005 ppm1=1.421 ppm2=5.064 assign ( resid 55 and name HA) ( resid 54 and name HA) 4.1 0.8 0.8 volume=0.385 peak=2262 ppm1=4.351 ppm2=4.490 assign ( resid 47 and name HA) ( resid 47 and name HG2*) 3.1 0.6 0.6 volume=2.023 peak=312 ppm1=4.035 ppm2=0.676 assign ( resid 90 and name HB3) ( resid 90 and name HA) 3.2 0.6 0.6 volume=1.777 peak=3157 ppm1=2.303 ppm2=4.487 assign ( resid 47 and name HG2*) ( resid 47 and name H) 3.9 0.8 0.8 volume=0.509 peak=1730 ppm1=0.677 ppm2=8.278 assign ( resid 95 and name HB3) ( resid 95 and name HA) 3.6 0.7 0.7 volume=0.822 peak=2656 ppm1=2.719 ppm2=5.166 assign ( resid 65 and name HD2) ( resid 64 and name H) 5.0 1.0 1.0 volume=0.119 peak=525 ppm1=3.894 ppm2=8.118 assign ( resid 98 and name HD2) ( resid 98 and name H) 4.0 0.8 0.8 volume=0.443 peak=2145 ppm1=1.242 ppm2=6.522 assign ( resid 31 and name HG2*) ( resid 31 and name HA) 3.5 0.7 0.7 volume=0.928 peak=548 ppm1=0.611 ppm2=5.104 assign ( resid 96 and name HG) ( resid 96 and name HA) 3.7 0.7 0.7 volume=0.745 peak=2233 ppm1=1.729 ppm2=3.875 assign ( resid 27 and name HG) ( resid 27 and name H) 4.4 0.9 0.9 volume=0.269 peak=1333 ppm1=1.535 ppm2=7.634 assign ( resid 21 and name HD3) ( resid 21 and name HE2) 3.2 0.6 0.6 volume=1.827 peak=1317 ppm1=1.758 ppm2=3.009 assign ( resid 125 and name HG3) ( resid 124 and name HA) 3.7 0.7 0.7 volume=0.747 peak=3336 ppm1=2.164 ppm2=4.471 assign ( resid 96 and name HG) ( resid 96 and name HB2) 3.6 0.7 0.7 volume=0.868 peak=1485 ppm1=1.731 ppm2=2.081 assign ( resid 3 and name HB3) ( resid 3 and name HG3) 2.9 0.6 0.6 volume=2.817 peak=1304 ppm1=1.911 ppm2=2.411 assign ( resid 4 and name HA) ( resid 3 and name HB2) 3.3 0.7 0.7 volume=1.363 peak=234 ppm1=4.306 ppm2=1.722 assign ( resid 90 and name HD3) ( resid 90 and name HB2) 3.4 0.7 0.7 volume=1.211 peak=3412 ppm1=3.999 ppm2=2.003 assign ( resid 99 and name HA) ( resid 100 and name HB2) 4.6 0.9 0.9 volume=0.187 peak=1712 ppm1=4.482 ppm2=2.298 assign ( resid 120 and name HB) ( resid 120 and name HG2*) 3.2 0.6 0.6 volume=1.643 peak=3313 ppm1=1.452 ppm2=0.594 assign ( resid 54 and name HB*) ( resid 54 and name HA) 2.6 0.5 0.5 volume=5.458 peak=1622 ppm1=0.908 ppm2=4.491 assign ( resid 68 and name HB2) ( resid 68 and name H) 3.8 0.8 0.8 volume=0.574 peak=516 ppm1=3.446 ppm2=9.243 assign ( resid 51 and name HG3) ( resid 51 and name HB3) 2.6 0.5 0.5 volume=6.143 peak=1893 ppm1=2.236 ppm2=1.984 assign ( resid 11 and name HA) ( resid 11 and name HB2) 4.0 0.8 0.8 volume=0.438 peak=2511 ppm1=4.264 ppm2=2.854 assign ( resid 29 and name HB) ( resid 29 and name HG2*) 3.1 0.6 0.6 volume=2.001 peak=2173 ppm1=3.968 ppm2=0.560 assign ( resid 92 and name HB3) ( resid 93 and name H) 4.7 0.9 0.9 volume=0.171 peak=2424 ppm1=2.320 ppm2=7.992 assign ( resid 127 and name HD2*) ( resid 127 and name HG) 2.8 0.6 0.6 volume=3.800 peak=3322 ppm1=0.847 ppm2=1.765 assign ( resid 52 and name HA) ( resid 51 and name H) 5.2 1.0 1.0 volume=0.092 peak=1211 ppm1=4.933 ppm2=9.527 assign ( resid 65 and name HA) ( resid 65 and name HB2) 3.3 0.7 0.7 volume=1.326 peak=1247 ppm1=4.984 ppm2=1.865 assign ( resid 9 and name HB2) ( resid 10 and name H) 4.1 0.8 0.8 volume=0.376 peak=112 ppm1=2.453 ppm2=9.791 assign ( resid 74 and name HG2) ( resid 74 and name HB3) 3.8 0.8 0.8 volume=0.649 peak=915 ppm1=2.489 ppm2=2.057 assign ( resid 38 and name HG2*) ( resid 38 and name H) 3.8 0.8 0.8 volume=0.576 peak=3494 ppm1=1.164 ppm2=7.730 assign ( resid 10 and name HA) ( resid 10 and name HG2*) 3.4 0.7 0.7 volume=1.115 peak=1821 ppm1=4.530 ppm2=0.705 assign ( resid 36 and name HD2) ( resid 35 and name HB2) 4.6 0.9 0.9 volume=0.189 peak=2365 ppm1=4.028 ppm2=2.161 assign ( resid 55 and name HB) ( resid 55 and name HA) 3.8 0.8 0.8 volume=0.608 peak=991 ppm1=3.729 ppm2=4.343 assign ( resid 110 and name HD3) ( resid 110 and name HB2) 3.8 0.8 0.8 volume=0.590 peak=2281 ppm1=3.832 ppm2=2.128 assign ( resid 119 and name HB2) ( resid 120 and name H) 3.6 0.7 0.7 volume=0.802 peak=2430 ppm1=2.138 ppm2=7.311 assign ( resid 90 and name HD3) ( resid 89 and name HA) 3.7 0.7 0.7 volume=0.777 peak=837 ppm1=4.001 ppm2=5.212 assign ( resid 94 and name HA3) ( resid 95 and name HB2) 4.7 0.9 0.9 volume=0.177 peak=2545 ppm1=3.978 ppm2=2.602 assign ( resid 26 and name HB*) ( resid 19 and name HE*) 3.6 0.7 0.7 volume=0.804 peak=648 ppm1=1.259 ppm2=6.508 assign ( resid 109 and name HB3) ( resid 108 and name HA) 4.3 0.9 0.9 volume=0.285 peak=1353 ppm1=1.340 ppm2=4.418 assign ( resid 89 and name HB2) ( resid 90 and name HD2) 5.2 1.0 1.0 volume=0.092 peak=585 ppm1=1.170 ppm2=4.110 assign ( resid 56 and name HB3) ( resid 55 and name HA) 4.8 1.0 1.0 volume=0.153 peak=1344 ppm1=1.154 ppm2=4.328 assign ( resid 9 and name HB3) ( resid 9 and name HG3) 3.4 0.7 0.7 volume=1.294 peak=600 ppm1=2.575 ppm2=2.678 assign ( resid 27 and name HD2*) ( resid 27 and name HB2) 3.8 0.8 0.8 volume=0.569 peak=3185 ppm1=0.817 ppm2=1.383 assign ( resid 112 and name HG2*) ( resid 113 and name H) 3.5 0.7 0.7 volume=1.043 peak=1478 ppm1=0.666 ppm2=8.620 assign ( resid 36 and name HB2) ( resid 36 and name HG3) 3.1 0.6 0.6 volume=2.132 peak=282 ppm1=2.519 ppm2=2.025 assign ( resid 31 and name HB) ( resid 31 and name HG13) 3.6 0.7 0.7 volume=0.788 peak=2156 ppm1=1.868 ppm2=0.485 assign ( resid 121 and name HB3) ( resid 121 and name HA) 3.4 0.7 0.7 volume=1.142 peak=1534 ppm1=2.070 ppm2=4.411 assign ( resid 26 and name HB*) ( resid 19 and name HB2) 4.2 0.8 0.8 volume=0.314 peak=2594 ppm1=1.258 ppm2=2.562 assign ( resid 119 and name HA) ( resid 119 and name H) 3.4 0.7 0.7 volume=1.230 peak=2135 ppm1=4.458 ppm2=7.349 assign ( resid 20 and name HB3) ( resid 21 and name H) 4.9 1.0 1.0 volume=0.141 peak=3354 ppm1=1.866 ppm2=8.464 assign ( resid 17 and name HA) ( resid 17 and name HB3) 3.8 0.8 0.8 volume=0.650 peak=1405 ppm1=5.629 ppm2=1.469 assign ( resid 31 and name HB) ( resid 31 and name HA) 4.1 0.8 0.8 volume=0.416 peak=836 ppm1=1.871 ppm2=5.090 assign ( resid 49 and name HA) ( resid 49 and name H) 4.4 0.9 0.9 volume=0.264 peak=594 ppm1=4.640 ppm2=7.246 assign ( resid 13 and name HA) ( resid 13 and name HG2) 2.9 0.6 0.6 volume=2.927 peak=1747 ppm1=3.999 ppm2=2.260 assign ( resid 109 and name HD2) ( resid 109 and name HB3) 4.4 0.9 0.9 volume=0.256 peak=851 ppm1=2.950 ppm2=1.330 assign ( resid 87 and name HA) ( resid 86 and name H) 4.6 0.9 0.9 volume=0.187 peak=1394 ppm1=4.209 ppm2=8.071 assign ( resid 80 and name HA2) ( resid 80 and name H) 4.4 0.9 0.9 volume=0.260 peak=1097 ppm1=4.675 ppm2=7.915 assign ( resid 59 and name HB) ( resid 60 and name HA) 3.6 0.7 0.7 volume=0.824 peak=2409 ppm1=3.867 ppm2=4.920 assign ( resid 113 and name HA) ( resid 114 and name HB3) 3.7 0.7 0.7 volume=0.771 peak=1715 ppm1=4.093 ppm2=1.770 assign ( resid 39 and name HA) ( resid 39 and name HB3) 3.4 0.7 0.7 volume=1.131 peak=2942 ppm1=4.183 ppm2=1.837 assign ( resid 97 and name HB2) ( resid 97 and name HA) 4.5 0.9 0.9 volume=0.224 peak=1298 ppm1=3.212 ppm2=3.739 assign ( resid 4 and name HB3) ( resid 5 and name H) 3.5 0.7 0.7 volume=0.963 peak=689 ppm1=1.861 ppm2=8.429 assign ( resid 41 and name HD2) ( resid 40 and name H) 5.1 1.0 1.0 volume=0.105 peak=2018 ppm1=3.617 ppm2=8.695 assign ( resid 125 and name HA) ( resid 125 and name HG2) 3.3 0.7 0.7 volume=1.486 peak=3281 ppm1=4.491 ppm2=2.358 assign ( resid 20 and name HB3) ( resid 20 and name HD*) 4.2 0.8 0.8 volume=0.329 peak=2474 ppm1=1.867 ppm2=6.206 assign ( resid 8 and name HA) ( resid 7 and name HB3) 4.3 0.9 0.9 volume=0.273 peak=178 ppm1=5.316 ppm2=2.733 assign ( resid 91 and name HA) ( resid 91 and name HB3) 3.3 0.7 0.7 volume=1.547 peak=1913 ppm1=4.544 ppm2=1.962 assign ( resid 48 and name HB2) ( resid 48 and name H) 4.5 0.9 0.9 volume=0.224 peak=2275 ppm1=2.790 ppm2=8.001 assign ( resid 39 and name HB3) ( resid 39 and name HD3) 3.8 0.8 0.8 volume=0.577 peak=3486 ppm1=1.829 ppm2=3.407 assign ( resid 47 and name HG2*) ( resid 123 and name H) 3.8 0.8 0.8 volume=0.567 peak=1830 ppm1=0.677 ppm2=9.547 assign ( resid 82 and name HA3) ( resid 82 and name H) 4.6 0.9 0.9 volume=0.192 peak=2427 ppm1=3.949 ppm2=7.708 assign ( resid 83 and name HA) ( resid 83 and name HG13) 3.3 0.7 0.7 volume=1.466 peak=2930 ppm1=4.646 ppm2=0.686 assign ( resid 24 and name HB3) ( resid 24 and name HE2) 4.8 1.0 1.0 volume=0.158 peak=2781 ppm1=1.770 ppm2=3.044 assign ( resid 50 and name HG3) ( resid 50 and name HB3) 3.6 0.7 0.7 volume=0.805 peak=70 ppm1=1.068 ppm2=1.321 assign ( resid 22 and name HA) ( resid 23 and name H) 3.7 0.7 0.7 volume=0.706 peak=2593 ppm1=4.178 ppm2=8.852 assign ( resid 36 and name HB3) ( resid 36 and name HG2) 3.0 0.6 0.6 volume=2.521 peak=3366 ppm1=2.008 ppm2=1.838 assign ( resid 6 and name HA) ( resid 5 and name HB2) 4.2 0.8 0.8 volume=0.319 peak=1030 ppm1=5.223 ppm2=2.693 assign ( resid 27 and name HB2) ( resid 26 and name HB*) 4.0 0.8 0.8 volume=0.453 peak=3499 ppm1=1.385 ppm2=1.254 assign ( resid 68 and name HB3) ( resid 69 and name HA) 3.3 0.7 0.7 volume=1.320 peak=1278 ppm1=3.384 ppm2=4.836 assign ( resid 49 and name HA) ( resid 48 and name HB3) 5.0 1.0 1.0 volume=0.116 peak=2606 ppm1=4.640 ppm2=3.515 assign ( resid 27 and name HB2) ( resid 27 and name HD2*) 3.7 0.7 0.7 volume=0.770 peak=2921 ppm1=1.386 ppm2=0.819 assign ( resid 35 and name HB3) ( resid 35 and name HE3) 4.9 1.0 1.0 volume=0.128 peak=1953 ppm1=1.453 ppm2=2.836 assign ( resid 105 and name HB3) ( resid 102 and name HB3) 4.9 1.0 1.0 volume=0.140 peak=3428 ppm1=3.493 ppm2=3.783 assign ( resid 109 and name HB2) ( resid 110 and name HD3) 4.2 0.8 0.8 volume=0.329 peak=3441 ppm1=2.015 ppm2=3.832 assign ( resid 41 and name HG2) ( resid 41 and name HD2) 3.6 0.7 0.7 volume=0.909 peak=1487 ppm1=2.024 ppm2=3.619 assign ( resid 51 and name HB2) ( resid 51 and name H) 4.2 0.8 0.8 volume=0.317 peak=2825 ppm1=2.192 ppm2=9.533 assign ( resid 83 and name HG2*) ( resid 113 and name HE*) 3.3 0.7 0.7 volume=1.467 peak=906 ppm1=0.739 ppm2=2.080 assign ( resid 25 and name HG1*) ( resid 26 and name H) 3.2 0.6 0.6 volume=1.587 peak=1652 ppm1=0.797 ppm2=9.290 assign ( resid 68 and name HB2) ( resid 68 and name HA) 4.1 0.8 0.8 volume=0.404 peak=886 ppm1=3.447 ppm2=4.917 assign ( resid 115 and name HB2) ( resid 116 and name HA) 5.0 1.0 1.0 volume=0.122 peak=2189 ppm1=2.015 ppm2=3.566 assign ( resid 26 and name HB*) ( resid 119 and name HE*) 3.4 0.7 0.7 volume=1.297 peak=1347 ppm1=1.258 ppm2=2.071 assign ( resid 124 and name HG2*) ( resid 120 and name HG1*) 3.8 0.8 0.8 volume=0.592 peak=1769 ppm1=1.569 ppm2=0.160 assign ( resid 45 and name HB3) ( resid 46 and name HA) 4.8 1.0 1.0 volume=0.154 peak=3447 ppm1=2.431 ppm2=5.175 assign ( resid 83 and name HG2*) ( resid 84 and name HA) 4.6 0.9 0.9 volume=0.202 peak=1242 ppm1=0.737 ppm2=5.657 assign ( resid 124 and name HA) ( resid 123 and name HA2) 3.7 0.7 0.7 volume=0.747 peak=2408 ppm1=4.458 ppm2=4.329 assign ( resid 127 and name HB2) ( resid 127 and name HD2*) 3.1 0.6 0.6 volume=2.023 peak=517 ppm1=1.878 ppm2=0.846 assign ( resid 2 and name HA) ( resid 2 and name HB3) 3.0 0.6 0.6 volume=2.589 peak=25 ppm1=4.636 ppm2=3.057 assign ( resid 44 and name HA) ( resid 45 and name H) 3.4 0.7 0.7 volume=1.148 peak=189 ppm1=4.470 ppm2=9.263 assign ( resid 27 and name HB3) ( resid 19 and name HD*) 4.8 1.0 1.0 volume=0.148 peak=146 ppm1=1.790 ppm2=6.869 assign ( resid 21 and name HB3) ( resid 22 and name H) 4.5 0.9 0.9 volume=0.235 peak=3475 ppm1=1.108 ppm2=8.660 assign ( resid 90 and name HB3) ( resid 89 and name HA) 4.9 1.0 1.0 volume=0.138 peak=2267 ppm1=2.305 ppm2=5.206 assign ( resid 116 and name HA) ( resid 116 and name HG) 3.6 0.7 0.7 volume=0.834 peak=1935 ppm1=3.575 ppm2=1.144 assign ( resid 31 and name HG12) ( resid 31 and name HG2*) 3.0 0.6 0.6 volume=2.377 peak=2652 ppm1=0.800 ppm2=0.609 assign ( resid 65 and name HG3) ( resid 65 and name HD3) 3.0 0.6 0.6 volume=2.377 peak=1257 ppm1=2.019 ppm2=3.703 assign ( resid 3 and name HB2) ( resid 4 and name H) 4.2 0.8 0.8 volume=0.359 peak=2827 ppm1=1.722 ppm2=8.348 assign ( resid 52 and name HG3) ( resid 52 and name HB3) 3.2 0.6 0.6 volume=1.779 peak=977 ppm1=2.031 ppm2=1.909 assign ( resid 113 and name HE*) ( resid 85 and name H) 3.6 0.7 0.7 volume=0.819 peak=1822 ppm1=2.086 ppm2=10.383 assign ( resid 57 and name HB3) ( resid 57 and name HE2) 4.4 0.9 0.9 volume=0.252 peak=2616 ppm1=1.663 ppm2=2.776 assign ( resid 44 and name HA) ( resid 45 and name HA) 3.9 0.8 0.8 volume=0.505 peak=2298 ppm1=4.470 ppm2=5.057 assign ( resid 109 and name HA) ( resid 109 and name HB3) 3.9 0.8 0.8 volume=0.553 peak=2353 ppm1=4.442 ppm2=1.339 assign ( resid 56 and name HD2*) ( resid 56 and name HB2) 3.3 0.7 0.7 volume=1.537 peak=753 ppm1=-0.092 ppm2=1.392 assign ( resid 7 and name HA) ( resid 8 and name H) 4.1 0.8 0.8 volume=0.395 peak=2369 ppm1=5.097 ppm2=9.226 assign ( resid 24 and name HB3) ( resid 24 and name HA) 3.5 0.7 0.7 volume=1.088 peak=1168 ppm1=1.772 ppm2=4.780 assign ( resid 11 and name HB3) ( resid 11 and name H) 4.1 0.8 0.8 volume=0.386 peak=1202 ppm1=3.129 ppm2=8.608 assign ( resid 122 and name HB3) ( resid 122 and name H) 3.6 0.7 0.7 volume=0.883 peak=24 ppm1=1.700 ppm2=9.224 assign ( resid 67 and name HA) ( resid 68 and name HB2) 4.1 0.8 0.8 volume=0.379 peak=1606 ppm1=4.972 ppm2=3.447 assign ( resid 84 and name HA) ( resid 83 and name HG2*) 4.0 0.8 0.8 volume=0.463 peak=1259 ppm1=5.655 ppm2=0.736 assign ( resid 42 and name HB*) ( resid 41 and name HB3) 5.1 1.0 1.0 volume=0.105 peak=3065 ppm1=1.421 ppm2=2.262 assign ( resid 109 and name HD3) ( resid 108 and name HA) 3.9 0.8 0.8 volume=0.560 peak=1809 ppm1=3.060 ppm2=4.412 assign ( resid 99 and name HA) ( resid 100 and name HA) 3.6 0.7 0.7 volume=0.877 peak=1117 ppm1=4.479 ppm2=4.807 assign ( resid 35 and name HG2) ( resid 35 and name H) 4.5 0.9 0.9 volume=0.218 peak=697 ppm1=1.145 ppm2=8.334 assign ( resid 36 and name HA) ( resid 36 and name HD3) 4.6 0.9 0.9 volume=0.196 peak=2566 ppm1=4.379 ppm2=3.712 assign ( resid 116 and name HD2*) ( resid 116 and name HB2) 3.3 0.7 0.7 volume=1.412 peak=649 ppm1=0.617 ppm2=1.228 assign ( resid 113 and name HA) ( resid 114 and name HB2) 3.8 0.8 0.8 volume=0.628 peak=2231 ppm1=4.093 ppm2=1.744 assign ( resid 50 and name HG3) ( resid 50 and name H) 4.8 1.0 1.0 volume=0.156 peak=39 ppm1=1.067 ppm2=7.526 assign ( resid 69 and name HD3) ( resid 69 and name HB2) 3.3 0.7 0.7 volume=1.363 peak=1515 ppm1=3.593 ppm2=2.182 assign ( resid 45 and name HB3) ( resid 45 and name H) 5.1 1.0 1.0 volume=0.103 peak=558 ppm1=2.431 ppm2=9.265 assign ( resid 31 and name HB) ( resid 31 and name HD1*) 3.7 0.7 0.7 volume=0.675 peak=62 ppm1=1.871 ppm2=0.448 assign ( resid 74 and name HG2) ( resid 74 and name HE*) 3.7 0.7 0.7 volume=0.699 peak=55 ppm1=2.486 ppm2=1.633 assign ( resid 84 and name HA) ( resid 85 and name H) 3.8 0.8 0.8 volume=0.606 peak=2873 ppm1=5.653 ppm2=10.375 assign ( resid 21 and name HB2) ( resid 22 and name H) 4.4 0.9 0.9 volume=0.244 peak=961 ppm1=1.523 ppm2=8.649 assign ( resid 3 and name HG3) ( resid 3 and name H) 4.5 0.9 0.9 volume=0.231 peak=616 ppm1=2.411 ppm2=8.403 assign ( resid 35 and name HA) ( resid 35 and name HB2) 4.4 0.9 0.9 volume=0.245 peak=2826 ppm1=5.117 ppm2=2.161 assign ( resid 65 and name HB3) ( resid 65 and name HD2) 3.8 0.8 0.8 volume=0.593 peak=1190 ppm1=2.240 ppm2=3.903 assign ( resid 17 and name HA) ( resid 17 and name HG2) 4.1 0.8 0.8 volume=0.384 peak=2910 ppm1=5.627 ppm2=2.262 assign ( resid 31 and name HA) ( resid 32 and name HB) 3.9 0.8 0.8 volume=0.497 peak=1371 ppm1=5.092 ppm2=1.898 assign ( resid 56 and name HD1*) ( resid 73 and name HB3) 4.7 0.9 0.9 volume=0.166 peak=2336 ppm1=-0.688 ppm2=2.808 assign ( resid 116 and name HA) ( resid 116 and name HD1*) 3.3 0.7 0.7 volume=1.312 peak=1156 ppm1=3.575 ppm2=0.379 assign ( resid 113 and name HG3) ( resid 113 and name HB3) 4.5 0.9 0.9 volume=0.221 peak=1018 ppm1=3.546 ppm2=1.379 assign ( resid 62 and name HB2) ( resid 62 and name H) 3.9 0.8 0.8 volume=0.507 peak=2422 ppm1=3.101 ppm2=7.730 assign ( resid 69 and name HB2) ( resid 69 and name HD2) 3.8 0.8 0.8 volume=0.645 peak=6 ppm1=2.199 ppm2=3.742 assign ( resid 71 and name HA) ( resid 71 and name HD22) 5.1 1.0 1.0 volume=0.102 peak=789 ppm1=4.311 ppm2=6.950 assign ( resid 119 and name HG2) ( resid 120 and name H) 3.6 0.7 0.7 volume=0.784 peak=3237 ppm1=2.558 ppm2=7.318 assign ( resid 75 and name HA) ( resid 74 and name HB2) 3.9 0.8 0.8 volume=0.508 peak=1997 ppm1=3.419 ppm2=1.643 assign ( resid 7 and name HB2) ( resid 8 and name H) 4.5 0.9 0.9 volume=0.233 peak=2585 ppm1=3.526 ppm2=9.236 assign ( resid 84 and name HA) ( resid 84 and name HE1) 4.5 0.9 0.9 volume=0.220 peak=3219 ppm1=5.653 ppm2=8.028 assign ( resid 122 and name HD2) ( resid 122 and name HG3) 3.4 0.7 0.7 volume=1.259 peak=35 ppm1=1.832 ppm2=1.379 assign ( resid 110 and name HA) ( resid 110 and name HG3) 4.0 0.8 0.8 volume=0.448 peak=731 ppm1=3.981 ppm2=1.814 assign ( resid 91 and name HG2) ( resid 91 and name HA) 3.5 0.7 0.7 volume=1.075 peak=474 ppm1=2.225 ppm2=4.534 assign ( resid 91 and name HG3) ( resid 91 and name HB2) 3.3 0.7 0.7 volume=1.378 peak=1686 ppm1=2.135 ppm2=1.665 assign ( resid 57 and name HA) ( resid 57 and name HD3) 3.8 0.8 0.8 volume=0.645 peak=3232 ppm1=4.621 ppm2=1.518 assign ( resid 86 and name HA) ( resid 85 and name HB3) 4.3 0.9 0.9 volume=0.273 peak=2280 ppm1=3.626 ppm2=2.372 assign ( resid 110 and name HA) ( resid 111 and name H) 5.8 1.2 1.2 volume=0.049 peak=2850 ppm1=3.982 ppm2=8.935 assign ( resid 32 and name HG1*) ( resid 33 and name H) 3.7 0.7 0.7 volume=0.704 peak=728 ppm1=1.008 ppm2=8.607 assign ( resid 69 and name HB2) ( resid 69 and name HG3) 2.6 0.5 0.5 volume=6.061 peak=930 ppm1=2.199 ppm2=2.182 assign ( resid 127 and name HB3) ( resid 128 and name HA) 3.7 0.7 0.7 volume=0.752 peak=910 ppm1=1.858 ppm2=5.050 assign ( resid 41 and name HB2) ( resid 40 and name HA) 3.8 0.8 0.8 volume=0.661 peak=2183 ppm1=2.035 ppm2=4.466 assign ( resid 17 and name HG3) ( resid 18 and name H) 4.2 0.8 0.8 volume=0.339 peak=1192 ppm1=1.785 ppm2=9.628 assign ( resid 52 and name HG2) ( resid 52 and name H) 3.9 0.8 0.8 volume=0.533 peak=490 ppm1=2.353 ppm2=8.646 assign ( resid 50 and name HG3) ( resid 51 and name H) 4.8 1.0 1.0 volume=0.145 peak=2554 ppm1=1.070 ppm2=9.525 assign ( resid 65 and name HD2) ( resid 65 and name HB2) 4.0 0.8 0.8 volume=0.435 peak=2468 ppm1=3.894 ppm2=1.863 assign ( resid 3 and name HG3) ( resid 3 and name HB2) 3.4 0.7 0.7 volume=1.122 peak=1876 ppm1=2.410 ppm2=1.716 assign ( resid 81 and name HB) ( resid 82 and name HA3) 4.1 0.8 0.8 volume=0.400 peak=377 ppm1=1.760 ppm2=3.949 assign ( resid 41 and name HD3) ( resid 41 and name HG3) 3.5 0.7 0.7 volume=1.059 peak=2507 ppm1=3.788 ppm2=1.974 assign ( resid 9 and name HA) ( resid 9 and name H) 3.4 0.7 0.7 volume=1.176 peak=2664 ppm1=5.774 ppm2=9.775 assign ( resid 72 and name HA) ( resid 72 and name HB3) 3.9 0.8 0.8 volume=0.535 peak=50 ppm1=4.482 ppm2=2.405 assign ( resid 39 and name HA) ( resid 39 and name HD3) 4.1 0.8 0.8 volume=0.374 peak=1143 ppm1=4.184 ppm2=3.405 assign ( resid 13 and name HB3) ( resid 14 and name H) 3.9 0.8 0.8 volume=0.561 peak=1804 ppm1=2.216 ppm2=7.734 assign ( resid 12 and name HB2) ( resid 12 and name H) 4.1 0.8 0.8 volume=0.388 peak=1986 ppm1=1.806 ppm2=9.564 assign ( resid 115 and name HG3) ( resid 116 and name H) 4.1 0.8 0.8 volume=0.397 peak=967 ppm1=2.198 ppm2=8.667 assign ( resid 14 and name HB2) ( resid 14 and name H) 3.9 0.8 0.8 volume=0.500 peak=3434 ppm1=2.867 ppm2=7.737 assign ( resid 26 and name HB*) ( resid 116 and name HD1*) 4.4 0.9 0.9 volume=0.259 peak=783 ppm1=1.258 ppm2=0.376 assign ( resid 75 and name HD3) ( resid 49 and name HB2) 4.6 0.9 0.9 volume=0.199 peak=843 ppm1=1.012 ppm2=2.616 assign ( resid 109 and name HA) ( resid 110 and name HB3) 5.0 1.0 1.0 volume=0.123 peak=2968 ppm1=4.442 ppm2=2.648 assign ( resid 116 and name HG) ( resid 116 and name HA) 4.3 0.9 0.9 volume=0.293 peak=344 ppm1=1.144 ppm2=3.575 assign ( resid 29 and name HG2*) ( resid 29 and name HA) 3.4 0.7 0.7 volume=1.138 peak=211 ppm1=0.561 ppm2=4.347 assign ( resid 31 and name HA) ( resid 30 and name HB2) 4.4 0.9 0.9 volume=0.251 peak=3274 ppm1=5.090 ppm2=2.580 assign ( resid 89 and name HB2) ( resid 89 and name HE21) 4.9 1.0 1.0 volume=0.132 peak=957 ppm1=1.170 ppm2=7.594 assign ( resid 122 and name HB3) ( resid 122 and name HE3) 3.9 0.8 0.8 volume=0.531 peak=2996 ppm1=1.698 ppm2=3.129 assign ( resid 75 and name HD3) ( resid 75 and name HB3) 4.1 0.8 0.8 volume=0.372 peak=337 ppm1=1.005 ppm2=1.672 assign ( resid 124 and name HB) ( resid 123 and name HA2) 5.0 1.0 1.0 volume=0.122 peak=981 ppm1=3.794 ppm2=4.329 assign ( resid 19 and name HA) ( resid 19 and name HB3) 4.2 0.8 0.8 volume=0.344 peak=1955 ppm1=5.371 ppm2=2.733 assign ( resid 121 and name HG3) ( resid 121 and name H) 3.6 0.7 0.7 volume=0.798 peak=3344 ppm1=2.251 ppm2=8.104 assign ( resid 116 and name HA) ( resid 115 and name HA) 4.7 0.9 0.9 volume=0.178 peak=678 ppm1=3.575 ppm2=3.953 assign ( resid 89 and name HA) ( resid 89 and name HB2) 4.5 0.9 0.9 volume=0.235 peak=3149 ppm1=5.207 ppm2=1.183 assign ( resid 104 and name HA3) ( resid 104 and name H) 4.0 0.8 0.8 volume=0.428 peak=877 ppm1=4.628 ppm2=8.804 assign ( resid 95 and name HB3) ( resid 98 and name HD2) 3.9 0.8 0.8 volume=0.547 peak=626 ppm1=2.718 ppm2=1.252 assign ( resid 53 and name HB3) ( resid 53 and name H) 3.9 0.8 0.8 volume=0.561 peak=2612 ppm1=2.589 ppm2=8.328 assign ( resid 122 and name HD2) ( resid 122 and name HG2) 3.3 0.7 0.7 volume=1.488 peak=1223 ppm1=1.832 ppm2=1.062 assign ( resid 36 and name HD2) ( resid 36 and name HG2) 4.7 0.9 0.9 volume=0.161 peak=3418 ppm1=4.028 ppm2=1.838 assign ( resid 120 and name HB) ( resid 120 and name HA) 3.9 0.8 0.8 volume=0.485 peak=2390 ppm1=1.457 ppm2=3.647 assign ( resid 39 and name HG2) ( resid 39 and name HD2) 3.5 0.7 0.7 volume=1.019 peak=726 ppm1=1.830 ppm2=3.435 assign ( resid 122 and name HA) ( resid 121 and name HB2) 3.4 0.7 0.7 volume=1.227 peak=609 ppm1=3.688 ppm2=1.734 assign ( resid 13 and name HG2) ( resid 13 and name HA) 3.4 0.7 0.7 volume=1.300 peak=1620 ppm1=2.275 ppm2=3.999 assign ( resid 57 and name HB3) ( resid 57 and name H) 3.8 0.8 0.8 volume=0.578 peak=746 ppm1=1.660 ppm2=8.078 assign ( resid 57 and name HD2) ( resid 57 and name HB3) 3.2 0.6 0.6 volume=1.562 peak=1213 ppm1=1.506 ppm2=1.663 assign ( resid 35 and name HD3) ( resid 35 and name HA) 4.9 1.0 1.0 volume=0.128 peak=652 ppm1=1.345 ppm2=5.117 assign ( resid 122 and name HG2) ( resid 122 and name HD3) 3.3 0.7 0.7 volume=1.489 peak=1369 ppm1=1.062 ppm2=1.808 assign ( resid 9 and name HG3) ( resid 9 and name HB3) 2.8 0.6 0.6 volume=3.569 peak=715 ppm1=2.678 ppm2=2.575 assign ( resid 115 and name HG2) ( resid 115 and name HB3) 2.6 0.5 0.5 volume=5.660 peak=2026 ppm1=2.350 ppm2=2.004 assign ( resid 25 and name HB) ( resid 25 and name HG1*) 2.9 0.6 0.6 volume=3.085 peak=2095 ppm1=1.919 ppm2=0.801 assign ( resid 97 and name HB3) ( resid 97 and name HA) 4.6 0.9 0.9 volume=0.201 peak=1272 ppm1=3.091 ppm2=3.742 assign ( resid 98 and name HB2) ( resid 98 and name H) 3.9 0.8 0.8 volume=0.503 peak=3376 ppm1=1.408 ppm2=6.522 assign ( resid 23 and name HA3) ( resid 24 and name H) 4.0 0.8 0.8 volume=0.476 peak=2443 ppm1=3.771 ppm2=7.600 assign ( resid 25 and name HB) ( resid 25 and name H) 3.1 0.6 0.6 volume=1.901 peak=1933 ppm1=1.920 ppm2=8.705 assign ( resid 69 and name HD3) ( resid 70 and name H) 5.1 1.0 1.0 volume=0.103 peak=2722 ppm1=3.591 ppm2=8.620 assign ( resid 122 and name HE2) ( resid 122 and name HB2) 3.3 0.7 0.7 volume=1.437 peak=1255 ppm1=3.049 ppm2=1.692 assign ( resid 126 and name HG2*) ( resid 127 and name H) 3.4 0.7 0.7 volume=1.097 peak=349 ppm1=0.691 ppm2=9.576 assign ( resid 114 and name HB2) ( resid 114 and name HE3) 4.4 0.9 0.9 volume=0.256 peak=524 ppm1=1.744 ppm2=3.015 assign ( resid 12 and name HG) ( resid 13 and name H) 5.0 1.0 1.0 volume=0.117 peak=1654 ppm1=1.456 ppm2=9.093 assign ( resid 31 and name HA) ( resid 31 and name HG13) 3.9 0.8 0.8 volume=0.540 peak=2111 ppm1=5.090 ppm2=0.494 assign ( resid 55 and name HG2*) ( resid 55 and name HA) 3.0 0.6 0.6 volume=2.767 peak=279 ppm1=0.810 ppm2=4.350 assign ( resid 41 and name HG2) ( resid 41 and name HB3) 3.2 0.6 0.6 volume=1.769 peak=1186 ppm1=2.024 ppm2=2.257 assign ( resid 100 and name HB2) ( resid 100 and name HG3) 3.0 0.6 0.6 volume=2.419 peak=589 ppm1=2.298 ppm2=1.640 assign ( resid 91 and name HG2) ( resid 92 and name H) 3.5 0.7 0.7 volume=0.947 peak=583 ppm1=2.223 ppm2=8.622 assign ( resid 66 and name HB3) ( resid 66 and name H) 4.2 0.8 0.8 volume=0.356 peak=2776 ppm1=2.567 ppm2=8.098 assign ( resid 49 and name HB3) ( resid 49 and name HA) 4.4 0.9 0.9 volume=0.260 peak=3279 ppm1=1.672 ppm2=4.638 assign ( resid 56 and name HA) ( resid 56 and name H) 3.3 0.7 0.7 volume=1.545 peak=5 ppm1=4.017 ppm2=8.171 assign ( resid 122 and name HA) ( resid 122 and name HD2) 4.1 0.8 0.8 volume=0.383 peak=813 ppm1=3.688 ppm2=1.832 assign ( resid 41 and name HG2) ( resid 41 and name HA) 3.9 0.8 0.8 volume=0.507 peak=2575 ppm1=2.024 ppm2=4.305 assign ( resid 17 and name HE*) ( resid 17 and name HG3) 3.1 0.6 0.6 volume=1.944 peak=416 ppm1=1.482 ppm2=1.784 assign ( resid 85 and name HB3) ( resid 85 and name HA) 4.2 0.8 0.8 volume=0.324 peak=3180 ppm1=2.372 ppm2=5.151 assign ( resid 66 and name HB2) ( resid 66 and name HA) 3.4 0.7 0.7 volume=1.102 peak=3194 ppm1=2.892 ppm2=4.900 assign ( resid 126 and name HB) ( resid 126 and name H) 4.4 0.9 0.9 volume=0.267 peak=115 ppm1=1.798 ppm2=8.527 assign ( resid 85 and name HA) ( resid 84 and name HB3) 3.7 0.7 0.7 volume=0.705 peak=2263 ppm1=5.151 ppm2=3.920 assign ( resid 100 and name HD3) ( resid 100 and name HB2) 3.7 0.7 0.7 volume=0.679 peak=371 ppm1=3.107 ppm2=2.294 assign ( resid 9 and name HB2) ( resid 9 and name HG2) 3.1 0.6 0.6 volume=2.227 peak=980 ppm1=2.453 ppm2=2.560 assign ( resid 122 and name HD2) ( resid 122 and name H) 4.6 0.9 0.9 volume=0.196 peak=1313 ppm1=1.832 ppm2=9.207 assign ( resid 67 and name HB3) ( resid 67 and name HG2) 2.9 0.6 0.6 volume=2.907 peak=1925 ppm1=1.665 ppm2=1.913 assign ( resid 27 and name HB2) ( resid 19 and name HD*) 4.6 0.9 0.9 volume=0.197 peak=1979 ppm1=1.387 ppm2=6.876 assign ( resid 88 and name HB3) ( resid 88 and name HE3) 4.4 0.9 0.9 volume=0.241 peak=1422 ppm1=3.338 ppm2=8.019 assign ( resid 15 and name HB2) ( resid 15 and name HG2) 4.1 0.8 0.8 volume=0.385 peak=2479 ppm1=2.243 ppm2=2.092 assign ( resid 109 and name HG2) ( resid 109 and name HD2) 4.4 0.9 0.9 volume=0.260 peak=229 ppm1=-0.094 ppm2=2.950 assign ( resid 114 and name HD3) ( resid 114 and name HG3) 3.2 0.6 0.6 volume=1.757 peak=2521 ppm1=1.712 ppm2=1.319 assign ( resid 25 and name HG2*) ( resid 25 and name HB) 2.7 0.5 0.5 volume=5.295 peak=1093 ppm1=0.683 ppm2=1.921 assign ( resid 17 and name HG2) ( resid 17 and name HB3) 3.3 0.7 0.7 volume=1.556 peak=3170 ppm1=2.262 ppm2=1.477 assign ( resid 62 and name HB3) ( resid 63 and name H) 4.7 0.9 0.9 volume=0.180 peak=780 ppm1=2.626 ppm2=8.141 assign ( resid 115 and name HG3) ( resid 115 and name H) 3.5 0.7 0.7 volume=0.999 peak=3063 ppm1=2.198 ppm2=6.758 assign ( resid 98 and name HD2) ( resid 98 and name HB2) 3.2 0.6 0.6 volume=1.782 peak=372 ppm1=1.242 ppm2=1.408 assign ( resid 29 and name HA) ( resid 30 and name HB3) 4.4 0.9 0.9 volume=0.240 peak=1335 ppm1=4.344 ppm2=2.659 assign ( resid 101 and name HA2) ( resid 102 and name H) 4.6 0.9 0.9 volume=0.191 peak=280 ppm1=4.331 ppm2=8.491 assign ( resid 126 and name HB) ( resid 126 and name HA) 4.7 0.9 0.9 volume=0.167 peak=3235 ppm1=1.799 ppm2=4.947 assign ( resid 71 and name HA) ( resid 72 and name HB3) 3.6 0.7 0.7 volume=0.823 peak=545 ppm1=4.311 ppm2=2.414 assign ( resid 55 and name HG2*) ( resid 55 and name H) 3.7 0.7 0.7 volume=0.747 peak=2919 ppm1=0.808 ppm2=8.399 assign ( resid 35 and name HD3) ( resid 35 and name HE2) 3.6 0.7 0.7 volume=0.781 peak=2990 ppm1=1.345 ppm2=2.896 assign ( resid 56 and name HB3) ( resid 56 and name H) 4.1 0.8 0.8 volume=0.371 peak=3400 ppm1=1.155 ppm2=8.171 assign ( resid 67 and name HB2) ( resid 68 and name H) 3.8 0.8 0.8 volume=0.657 peak=1766 ppm1=1.697 ppm2=9.238 assign ( resid 56 and name HD2*) ( resid 56 and name HD1*) 2.9 0.6 0.6 volume=3.387 peak=2519 ppm1=-0.093 ppm2=-0.692 assign ( resid 124 and name HA) ( resid 124 and name HG2*) 3.5 0.7 0.7 volume=0.977 peak=53 ppm1=4.458 ppm2=1.566 assign ( resid 52 and name HB3) ( resid 53 and name H) 3.6 0.7 0.7 volume=0.799 peak=1500 ppm1=1.906 ppm2=8.345 assign ( resid 53 and name HA) ( resid 52 and name HB2) 3.9 0.8 0.8 volume=0.498 peak=2754 ppm1=4.391 ppm2=1.803 assign ( resid 46 and name HA) ( resid 46 and name HD*) 4.2 0.8 0.8 volume=0.333 peak=510 ppm1=5.175 ppm2=6.931 assign ( resid 69 and name HB3) ( resid 70 and name H) 3.5 0.7 0.7 volume=0.962 peak=2274 ppm1=1.894 ppm2=8.620 assign ( resid 110 and name HB2) ( resid 110 and name HD3) 4.1 0.8 0.8 volume=0.409 peak=810 ppm1=2.128 ppm2=3.832 assign ( resid 24 and name HB3) ( resid 24 and name HG2) 3.0 0.6 0.6 volume=2.368 peak=1581 ppm1=1.772 ppm2=1.414 assign ( resid 26 and name HB*) ( resid 21 and name HB2) 3.1 0.6 0.6 volume=2.194 peak=2308 ppm1=1.259 ppm2=1.537 assign ( resid 122 and name HG2) ( resid 122 and name HB3) 3.2 0.6 0.6 volume=1.636 peak=1507 ppm1=1.064 ppm2=1.716 assign ( resid 76 and name HA) ( resid 77 and name H) 4.6 0.9 0.9 volume=0.187 peak=2963 ppm1=5.598 ppm2=7.539 assign ( resid 3 and name HG3) ( resid 3 and name HE*) 3.3 0.7 0.7 volume=1.480 peak=535 ppm1=2.409 ppm2=1.942 assign ( resid 35 and name HD3) ( resid 35 and name HE3) 3.8 0.8 0.8 volume=0.661 peak=1004 ppm1=1.345 ppm2=2.836 assign ( resid 74 and name HE*) ( resid 126 and name HG1*) 3.3 0.7 0.7 volume=1.378 peak=308 ppm1=1.642 ppm2=0.860 assign ( resid 52 and name HB3) ( resid 52 and name HA) 3.9 0.8 0.8 volume=0.493 peak=2323 ppm1=1.909 ppm2=4.933 assign ( resid 127 and name HD1*) ( resid 127 and name HG) 2.9 0.6 0.6 volume=3.105 peak=3356 ppm1=0.832 ppm2=1.772 assign ( resid 8 and name HA) ( resid 9 and name HB3) 4.1 0.8 0.8 volume=0.361 peak=925 ppm1=5.316 ppm2=2.575 assign ( resid 84 and name HB2) ( resid 84 and name HB3) 4.2 0.8 0.8 volume=0.330 peak=2009 ppm1=3.714 ppm2=3.931 assign ( resid 39 and name HB2) ( resid 39 and name HG2) 3.0 0.6 0.6 volume=2.493 peak=1882 ppm1=2.027 ppm2=1.831 assign ( resid 113 and name HA) ( resid 113 and name HG3) 4.1 0.8 0.8 volume=0.360 peak=563 ppm1=4.094 ppm2=3.553 assign ( resid 83 and name HB) ( resid 83 and name HG13) 3.2 0.6 0.6 volume=1.798 peak=2724 ppm1=1.461 ppm2=0.703 assign ( resid 60 and name HB2) ( resid 59 and name HA) 3.2 0.6 0.6 volume=1.595 peak=891 ppm1=3.061 ppm2=4.803 assign ( resid 121 and name HG2) ( resid 121 and name HB2) 3.1 0.6 0.6 volume=2.178 peak=1452 ppm1=2.392 ppm2=1.741 assign ( resid 3 and name HE*) ( resid 3 and name HG3) 3.4 0.7 0.7 volume=1.125 peak=822 ppm1=1.939 ppm2=2.411 assign ( resid 110 and name HG2) ( resid 110 and name HD2) 3.7 0.7 0.7 volume=0.774 peak=3042 ppm1=2.369 ppm2=3.909 assign ( resid 48 and name HA) ( resid 48 and name HB3) 4.2 0.8 0.8 volume=0.355 peak=101 ppm1=4.905 ppm2=3.515 assign ( resid 47 and name HG2*) ( resid 48 and name H) 3.8 0.8 0.8 volume=0.610 peak=1203 ppm1=0.676 ppm2=8.001 assign ( resid 64 and name HA) ( resid 65 and name HB3) 4.9 1.0 1.0 volume=0.139 peak=1329 ppm1=4.571 ppm2=2.222 assign ( resid 53 and name HB3) ( resid 54 and name HA) 4.4 0.9 0.9 volume=0.255 peak=1243 ppm1=2.591 ppm2=4.499 assign ( resid 114 and name HA) ( resid 115 and name H) 4.1 0.8 0.8 volume=0.366 peak=80 ppm1=2.795 ppm2=6.763 assign ( resid 125 and name HD3) ( resid 125 and name HA) 3.2 0.6 0.6 volume=1.622 peak=2634 ppm1=4.314 ppm2=4.491 assign ( resid 113 and name HB3) ( resid 113 and name HE*) 3.9 0.8 0.8 volume=0.532 peak=1783 ppm1=1.379 ppm2=2.084 assign ( resid 76 and name HD1*) ( resid 76 and name HG2*) 2.5 0.5 0.5 volume=8.120 peak=2486 ppm1=0.153 ppm2=0.625 assign ( resid 108 and name HB) ( resid 108 and name H) 3.8 0.8 0.8 volume=0.591 peak=739 ppm1=3.419 ppm2=8.199 assign ( resid 122 and name HB2) ( resid 122 and name HE3) 3.9 0.8 0.8 volume=0.514 peak=1844 ppm1=1.692 ppm2=3.129 assign ( resid 27 and name HB3) ( resid 27 and name HD2*) 3.5 0.7 0.7 volume=1.060 peak=1035 ppm1=1.791 ppm2=0.819 assign ( resid 59 and name HB) ( resid 59 and name H) 3.5 0.7 0.7 volume=0.921 peak=3504 ppm1=3.867 ppm2=8.493 assign ( resid 39 and name HD3) ( resid 39 and name HB2) 3.5 0.7 0.7 volume=1.044 peak=2366 ppm1=3.399 ppm2=2.027 assign ( resid 21 and name HG3) ( resid 21 and name HE2) 3.3 0.7 0.7 volume=1.477 peak=718 ppm1=1.203 ppm2=3.009 assign ( resid 83 and name HB) ( resid 83 and name H) 4.2 0.8 0.8 volume=0.314 peak=1688 ppm1=1.461 ppm2=8.297 assign ( resid 98 and name HD3) ( resid 98 and name H) 4.0 0.8 0.8 volume=0.478 peak=2923 ppm1=1.268 ppm2=6.522 assign ( resid 119 and name HA) ( resid 119 and name HB3) 3.1 0.6 0.6 volume=2.118 peak=997 ppm1=4.458 ppm2=1.987 assign ( resid 28 and name HG2) ( resid 28 and name HB3) 3.5 0.7 0.7 volume=1.055 peak=106 ppm1=2.028 ppm2=1.521 assign ( resid 66 and name HB2) ( resid 66 and name HD*) 4.0 0.8 0.8 volume=0.433 peak=2282 ppm1=2.886 ppm2=6.303 assign ( resid 4 and name HA) ( resid 5 and name HA) 3.7 0.7 0.7 volume=0.671 peak=1789 ppm1=4.306 ppm2=4.677 assign ( resid 90 and name HB3) ( resid 91 and name H) 4.3 0.9 0.9 volume=0.272 peak=2023 ppm1=2.305 ppm2=7.019 assign ( resid 98 and name HG3) ( resid 98 and name HB2) 4.2 0.8 0.8 volume=0.316 peak=3406 ppm1=-0.331 ppm2=1.430 assign ( resid 12 and name HB2) ( resid 12 and name HD1*) 3.4 0.7 0.7 volume=1.126 peak=405 ppm1=1.807 ppm2=0.554 assign ( resid 83 and name HG2*) ( resid 83 and name HA) 3.4 0.7 0.7 volume=1.167 peak=723 ppm1=0.739 ppm2=4.646 assign ( resid 125 and name HB3) ( resid 125 and name HA) 3.8 0.8 0.8 volume=0.576 peak=1482 ppm1=1.932 ppm2=4.469 assign ( resid 50 and name HG2) ( resid 50 and name HG3) 3.6 0.7 0.7 volume=0.843 peak=2957 ppm1=0.706 ppm2=1.069 assign ( resid 96 and name HA) ( resid 96 and name HB2) 3.8 0.8 0.8 volume=0.659 peak=1471 ppm1=3.875 ppm2=2.088 assign ( resid 28 and name HA) ( resid 28 and name HG2) 3.4 0.7 0.7 volume=1.268 peak=1145 ppm1=4.983 ppm2=2.027 assign ( resid 120 and name HA) ( resid 121 and name HA) 4.4 0.9 0.9 volume=0.259 peak=2912 ppm1=3.659 ppm2=4.433 assign ( resid 56 and name HA) ( resid 56 and name HB3) 3.4 0.7 0.7 volume=1.217 peak=3397 ppm1=4.019 ppm2=1.152 assign ( resid 56 and name HG) ( resid 56 and name HD1*) 3.5 0.7 0.7 volume=1.009 peak=215 ppm1=0.982 ppm2=-0.684 assign ( resid 98 and name HG3) ( resid 98 and name HB3) 4.2 0.8 0.8 volume=0.316 peak=2388 ppm1=-0.331 ppm2=1.436 assign ( resid 122 and name HG3) ( resid 122 and name HB3) 3.3 0.7 0.7 volume=1.484 peak=3101 ppm1=1.379 ppm2=1.698 assign ( resid 112 and name HB) ( resid 112 and name HG2*) 2.9 0.6 0.6 volume=3.390 peak=856 ppm1=1.759 ppm2=0.665 assign ( resid 56 and name HD2*) ( resid 56 and name HG) 3.2 0.6 0.6 volume=1.572 peak=1910 ppm1=-0.092 ppm2=0.999 assign ( resid 14 and name HB3) ( resid 14 and name HD21) 3.9 0.8 0.8 volume=0.491 peak=2742 ppm1=2.275 ppm2=7.080 assign ( resid 24 and name HB2) ( resid 24 and name HA) 3.4 0.7 0.7 volume=1.111 peak=3264 ppm1=1.690 ppm2=4.777 assign ( resid 114 and name HE2) ( resid 114 and name HA) 4.2 0.8 0.8 volume=0.329 peak=232 ppm1=2.987 ppm2=2.797 assign ( resid 56 and name HB2) ( resid 56 and name HG) 3.8 0.8 0.8 volume=0.632 peak=36 ppm1=1.391 ppm2=1.001 assign ( resid 36 and name HD3) ( resid 35 and name HA) 4.2 0.8 0.8 volume=0.357 peak=216 ppm1=3.712 ppm2=5.118 assign ( resid 36 and name HG2) ( resid 36 and name HB2) 4.0 0.8 0.8 volume=0.463 peak=1849 ppm1=1.838 ppm2=2.519 assign ( resid 71 and name HA) ( resid 70 and name HB) 3.7 0.7 0.7 volume=0.776 peak=1315 ppm1=4.311 ppm2=2.684 assign ( resid 40 and name HG2*) ( resid 40 and name H) 3.8 0.8 0.8 volume=0.603 peak=3030 ppm1=1.193 ppm2=8.708 assign ( resid 106 and name HG12) ( resid 106 and name HA) 4.1 0.8 0.8 volume=0.379 peak=1880 ppm1=1.339 ppm2=3.809 assign ( resid 39 and name HD2) ( resid 39 and name HG2) 3.4 0.7 0.7 volume=1.151 peak=664 ppm1=3.424 ppm2=1.831 assign ( resid 24 and name HD3) ( resid 24 and name HA) 4.0 0.8 0.8 volume=0.427 peak=407 ppm1=1.670 ppm2=4.763 assign ( resid 24 and name HD2) ( resid 24 and name HE3) 3.1 0.6 0.6 volume=1.900 peak=759 ppm1=1.708 ppm2=2.992 assign ( resid 114 and name HB3) ( resid 114 and name HA) 3.8 0.8 0.8 volume=0.615 peak=2817 ppm1=1.766 ppm2=2.805 assign ( resid 125 and name HD2) ( resid 124 and name HB) 5.0 1.0 1.0 volume=0.119 peak=1503 ppm1=4.465 ppm2=3.794 assign ( resid 35 and name HA) ( resid 35 and name H) 4.4 0.9 0.9 volume=0.257 peak=1141 ppm1=5.117 ppm2=8.334 assign ( resid 114 and name HD2) ( resid 114 and name HE3) 3.0 0.6 0.6 volume=2.417 peak=2000 ppm1=1.688 ppm2=3.015 assign ( resid 32 and name HG1*) ( resid 92 and name HD*) 3.8 0.8 0.8 volume=0.620 peak=240 ppm1=1.009 ppm2=6.766 assign ( resid 22 and name HB2) ( resid 21 and name HA) 4.4 0.9 0.9 volume=0.237 peak=795 ppm1=2.675 ppm2=4.545 assign ( resid 124 and name HB) ( resid 125 and name HD3) 5.0 1.0 1.0 volume=0.122 peak=963 ppm1=3.794 ppm2=4.314 assign ( resid 9 and name HA) ( resid 10 and name H) 3.4 0.7 0.7 volume=1.169 peak=3182 ppm1=5.773 ppm2=9.791 assign ( resid 27 and name HA) ( resid 27 and name HD2*) 3.5 0.7 0.7 volume=0.989 peak=3173 ppm1=4.487 ppm2=0.817 assign ( resid 91 and name HG2) ( resid 91 and name HB2) 3.1 0.6 0.6 volume=1.887 peak=359 ppm1=2.223 ppm2=1.649 assign ( resid 84 and name HB2) ( resid 84 and name HD2) 4.6 0.9 0.9 volume=0.195 peak=639 ppm1=3.722 ppm2=6.904 assign ( resid 65 and name HD3) ( resid 64 and name HA) 3.4 0.7 0.7 volume=1.175 peak=3446 ppm1=3.705 ppm2=4.583 assign ( resid 90 and name HA) ( resid 91 and name HB3) 2.9 0.6 0.6 volume=2.882 peak=913 ppm1=4.493 ppm2=1.962 assign ( resid 28 and name HG2) ( resid 29 and name H) 4.6 0.9 0.9 volume=0.198 peak=604 ppm1=2.023 ppm2=8.009 assign ( resid 120 and name HA) ( resid 120 and name HB) 4.0 0.8 0.8 volume=0.450 peak=857 ppm1=3.658 ppm2=1.455 assign ( resid 76 and name HG12) ( resid 76 and name HG2*) 3.5 0.7 0.7 volume=1.002 peak=201 ppm1=1.927 ppm2=0.614 assign ( resid 8 and name HD1*) ( resid 8 and name HA) 3.8 0.8 0.8 volume=0.623 peak=2197 ppm1=0.631 ppm2=5.329 assign ( resid 70 and name HG1*) ( resid 70 and name HB) 3.2 0.6 0.6 volume=1.665 peak=3124 ppm1=0.753 ppm2=2.685 assign ( resid 56 and name HD1*) ( resid 88 and name HH2) 4.1 0.8 0.8 volume=0.406 peak=186 ppm1=-0.691 ppm2=7.098 assign ( resid 25 and name HA) ( resid 25 and name HB) 3.6 0.7 0.7 volume=0.811 peak=260 ppm1=3.262 ppm2=1.918 assign ( resid 122 and name HD3) ( resid 122 and name HG2) 3.3 0.7 0.7 volume=1.488 peak=2116 ppm1=1.808 ppm2=1.062 assign ( resid 51 and name HA) ( resid 52 and name H) 3.0 0.6 0.6 volume=2.426 peak=2348 ppm1=4.937 ppm2=8.645 assign ( resid 41 and name HB3) ( resid 41 and name HD3) 4.2 0.8 0.8 volume=0.331 peak=2691 ppm1=2.257 ppm2=3.788 assign ( resid 44 and name HB) ( resid 43 and name HA3) 4.1 0.8 0.8 volume=0.392 peak=2747 ppm1=1.779 ppm2=4.038 assign ( resid 17 and name HA) ( resid 17 and name HE*) 3.8 0.8 0.8 volume=0.650 peak=1570 ppm1=5.629 ppm2=1.473 assign ( resid 45 and name HB3) ( resid 76 and name HD1*) 4.4 0.9 0.9 volume=0.246 peak=1903 ppm1=2.436 ppm2=0.150 assign ( resid 56 and name HB3) ( resid 56 and name HD1*) 3.7 0.7 0.7 volume=0.697 peak=3145 ppm1=1.157 ppm2=-0.693 assign ( resid 40 and name HA) ( resid 41 and name HD3) 3.4 0.7 0.7 volume=1.289 peak=1888 ppm1=4.466 ppm2=3.788 assign ( resid 67 and name HG3) ( resid 67 and name HB2) 2.9 0.6 0.6 volume=3.008 peak=3111 ppm1=1.989 ppm2=1.701 assign ( resid 57 and name HB3) ( resid 57 and name HD2) 2.7 0.5 0.5 volume=4.707 peak=2631 ppm1=1.663 ppm2=1.506 assign ( resid 83 and name HG2*) ( resid 83 and name HB) 2.8 0.6 0.6 volume=3.624 peak=2607 ppm1=0.743 ppm2=1.461 assign ( resid 79 and name HB) ( resid 79 and name HA) 3.2 0.6 0.6 volume=1.764 peak=2731 ppm1=4.458 ppm2=4.674 assign ( resid 76 and name HG12) ( resid 76 and name HG13) 3.5 0.7 0.7 volume=1.007 peak=3038 ppm1=1.929 ppm2=0.926 assign ( resid 120 and name HG1*) ( resid 120 and name HB) 3.0 0.6 0.6 volume=2.481 peak=1195 ppm1=0.167 ppm2=1.455 assign ( resid 125 and name HG3) ( resid 125 and name HD3) 3.8 0.8 0.8 volume=0.575 peak=2967 ppm1=2.166 ppm2=4.318 assign ( resid 106 and name HD1*) ( resid 106 and name HB) 3.0 0.6 0.6 volume=2.761 peak=3498 ppm1=0.623 ppm2=1.721 assign ( resid 41 and name HD3) ( resid 40 and name H) 5.3 1.1 1.1 volume=0.085 peak=2668 ppm1=3.788 ppm2=8.695 assign ( resid 49 and name HB2) ( resid 49 and name H) 3.7 0.7 0.7 volume=0.670 peak=799 ppm1=2.614 ppm2=7.249 assign ( resid 24 and name HB3) ( resid 25 and name H) 3.7 0.7 0.7 volume=0.665 peak=2080 ppm1=1.774 ppm2=8.692 assign ( resid 97 and name HA) ( resid 96 and name HA) 4.4 0.9 0.9 volume=0.266 peak=2939 ppm1=3.741 ppm2=3.860 assign ( resid 52 and name HB3) ( resid 52 and name H) 3.8 0.8 0.8 volume=0.632 peak=1270 ppm1=1.909 ppm2=8.645 assign ( resid 90 and name HD3) ( resid 90 and name HB3) 3.9 0.8 0.8 volume=0.517 peak=666 ppm1=4.000 ppm2=2.303 assign ( resid 89 and name HA) ( resid 89 and name HB3) 4.0 0.8 0.8 volume=0.481 peak=1444 ppm1=5.203 ppm2=1.632 assign ( resid 12 and name HG) ( resid 12 and name HB2) 4.0 0.8 0.8 volume=0.455 peak=1404 ppm1=1.456 ppm2=1.807 assign ( resid 21 and name HB2) ( resid 21 and name HG3) 2.9 0.6 0.6 volume=2.992 peak=77 ppm1=1.520 ppm2=1.211 assign ( resid 24 and name HD3) ( resid 24 and name HG3) 2.9 0.6 0.6 volume=3.169 peak=2444 ppm1=1.670 ppm2=1.380 assign ( resid 3 and name HB2) ( resid 3 and name HG2) 3.2 0.6 0.6 volume=1.625 peak=2601 ppm1=1.722 ppm2=2.341 assign ( resid 100 and name HD3) ( resid 100 and name HA) 3.2 0.6 0.6 volume=1.736 peak=1423 ppm1=3.105 ppm2=4.788 assign ( resid 113 and name HE*) ( resid 117 and name HA) 3.6 0.7 0.7 volume=0.895 peak=2813 ppm1=2.086 ppm2=3.769 assign ( resid 94 and name HA2) ( resid 93 and name HA3) 4.8 1.0 1.0 volume=0.151 peak=177 ppm1=3.864 ppm2=4.497 assign ( resid 13 and name HB2) ( resid 13 and name H) 3.4 0.7 0.7 volume=1.243 peak=2889 ppm1=2.076 ppm2=9.097 assign ( resid 19 and name HB2) ( resid 19 and name HA) 4.3 0.9 0.9 volume=0.275 peak=3527 ppm1=2.559 ppm2=5.365 assign ( resid 52 and name HG2) ( resid 52 and name HB3) 3.2 0.6 0.6 volume=1.684 peak=2549 ppm1=2.353 ppm2=1.909 assign ( resid 26 and name HA) ( resid 27 and name HB2) 4.1 0.8 0.8 volume=0.379 peak=1901 ppm1=4.448 ppm2=1.386 assign ( resid 119 and name HG2) ( resid 119 and name HB2) 3.5 0.7 0.7 volume=1.084 peak=3227 ppm1=2.561 ppm2=2.135 assign ( resid 20 and name HB2) ( resid 21 and name H) 4.7 0.9 0.9 volume=0.163 peak=1183 ppm1=2.016 ppm2=8.465 assign ( resid 49 and name HA) ( resid 50 and name HB2) 3.9 0.8 0.8 volume=0.505 peak=1968 ppm1=4.640 ppm2=1.612 assign ( resid 90 and name HD3) ( resid 90 and name HA) 4.5 0.9 0.9 volume=0.236 peak=2535 ppm1=3.999 ppm2=4.493 assign ( resid 26 and name HB*) ( resid 19 and name HD*) 3.5 0.7 0.7 volume=1.000 peak=103 ppm1=1.259 ppm2=6.863 assign ( resid 70 and name HB) ( resid 70 and name HG1*) 3.5 0.7 0.7 volume=1.010 peak=2864 ppm1=2.686 ppm2=0.736 assign ( resid 22 and name HB3) ( resid 22 and name H) 4.2 0.8 0.8 volume=0.324 peak=2737 ppm1=2.896 ppm2=8.657 assign ( resid 10 and name HG1*) ( resid 11 and name H) 3.5 0.7 0.7 volume=0.959 peak=3140 ppm1=0.621 ppm2=8.607 assign ( resid 17 and name HB2) ( resid 17 and name H) 4.5 0.9 0.9 volume=0.208 peak=3522 ppm1=1.654 ppm2=8.253 assign ( resid 129 and name HB2) ( resid 129 and name HA) 3.0 0.6 0.6 volume=2.543 peak=2814 ppm1=2.989 ppm2=4.809 assign ( resid 100 and name HG3) ( resid 100 and name HA) 3.2 0.6 0.6 volume=1.702 peak=3295 ppm1=1.640 ppm2=4.790 assign ( resid 121 and name HB2) ( resid 121 and name H) 3.6 0.7 0.7 volume=0.791 peak=2129 ppm1=1.734 ppm2=8.107 assign ( resid 49 and name HB3) ( resid 49 and name HB2) 3.8 0.8 0.8 volume=0.624 peak=3197 ppm1=1.660 ppm2=2.607 assign ( resid 81 and name HG2*) ( resid 81 and name H) 3.5 0.7 0.7 volume=0.929 peak=2711 ppm1=0.659 ppm2=8.693 assign ( resid 78 and name HB2) ( resid 78 and name HB3) 3.3 0.7 0.7 volume=1.422 peak=1721 ppm1=3.105 ppm2=3.501 assign ( resid 42 and name HA) ( resid 42 and name H) 4.0 0.8 0.8 volume=0.424 peak=651 ppm1=4.396 ppm2=7.582 assign ( resid 17 and name HG3) ( resid 17 and name HB3) 3.4 0.7 0.7 volume=1.144 peak=415 ppm1=1.791 ppm2=1.477 assign ( resid 24 and name HG3) ( resid 24 and name HD2) 2.6 0.5 0.5 volume=5.369 peak=467 ppm1=1.380 ppm2=1.708 assign ( resid 32 and name HA) ( resid 33 and name H) 4.8 1.0 1.0 volume=0.156 peak=2294 ppm1=4.809 ppm2=8.604 assign ( resid 48 and name HA) ( resid 49 and name HB2) 3.9 0.8 0.8 volume=0.564 peak=932 ppm1=4.905 ppm2=2.613 assign ( resid 119 and name HE*) ( resid 120 and name HG1*) 4.1 0.8 0.8 volume=0.415 peak=3472 ppm1=2.078 ppm2=0.161 assign ( resid 28 and name HA) ( resid 28 and name H) 4.4 0.9 0.9 volume=0.255 peak=1869 ppm1=4.983 ppm2=8.446 assign ( resid 62 and name HB2) ( resid 61 and name HA) 4.6 0.9 0.9 volume=0.198 peak=1524 ppm1=3.101 ppm2=4.379 assign ( resid 27 and name HA) ( resid 27 and name HD1*) 3.8 0.8 0.8 volume=0.598 peak=2278 ppm1=4.486 ppm2=0.656 assign ( resid 56 and name HB3) ( resid 56 and name HB2) 3.4 0.7 0.7 volume=1.175 peak=1384 ppm1=1.155 ppm2=1.396 assign ( resid 16 and name HB3) ( resid 17 and name H) 4.8 1.0 1.0 volume=0.158 peak=1621 ppm1=2.482 ppm2=8.253 assign ( resid 69 and name HB2) ( resid 68 and name HA) 3.4 0.7 0.7 volume=1.247 peak=1674 ppm1=2.199 ppm2=4.917 assign ( resid 121 and name HG2) ( resid 121 and name HA) 3.5 0.7 0.7 volume=0.933 peak=792 ppm1=2.393 ppm2=4.419 assign ( resid 123 and name HA3) ( resid 122 and name HB2) 6.0 1.2 1.2 volume=0.039 peak=281 ppm1=3.350 ppm2=1.692 assign ( resid 66 and name HB2) ( resid 67 and name H) 3.7 0.7 0.7 volume=0.739 peak=2200 ppm1=2.886 ppm2=8.196 assign ( resid 95 and name HA) ( resid 94 and name H) 4.5 0.9 0.9 volume=0.224 peak=3452 ppm1=5.163 ppm2=8.641 assign ( resid 47 and name HA) ( resid 47 and name HG1*) 3.2 0.6 0.6 volume=1.712 peak=74 ppm1=4.035 ppm2=0.722 assign ( resid 90 and name HB2) ( resid 91 and name HA) 3.4 0.7 0.7 volume=1.152 peak=3176 ppm1=2.003 ppm2=4.544 assign ( resid 39 and name HG3) ( resid 39 and name HA) 4.1 0.8 0.8 volume=0.388 peak=236 ppm1=1.990 ppm2=4.183 assign ( resid 25 and name HG1*) ( resid 25 and name HB) 2.5 0.5 0.5 volume=7.030 peak=1587 ppm1=0.797 ppm2=1.919 assign ( resid 85 and name HA) ( resid 84 and name HA) 4.9 1.0 1.0 volume=0.126 peak=3509 ppm1=5.151 ppm2=5.653 assign ( resid 17 and name HG3) ( resid 17 and name HA) 4.2 0.8 0.8 volume=0.330 peak=2288 ppm1=1.789 ppm2=5.615 assign ( resid 10 and name HB) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.346 peak=2908 ppm1=2.140 ppm2=9.791 assign ( resid 100 and name HB3) ( resid 100 and name HD3) 4.0 0.8 0.8 volume=0.460 peak=2199 ppm1=1.488 ppm2=3.111 assign ( resid 96 and name HB2) ( resid 96 and name HD2*) 3.7 0.7 0.7 volume=0.672 peak=325 ppm1=2.103 ppm2=0.702 assign ( resid 91 and name HB3) ( resid 91 and name HA) 3.4 0.7 0.7 volume=1.174 peak=3439 ppm1=1.965 ppm2=4.538 assign ( resid 122 and name HB3) ( resid 122 and name HD2) 2.9 0.6 0.6 volume=3.035 peak=2773 ppm1=1.698 ppm2=1.832 assign ( resid 24 and name HE3) ( resid 24 and name HB3) 2.6 0.5 0.5 volume=6.042 peak=617 ppm1=2.992 ppm2=1.770 assign ( resid 106 and name HD1*) ( resid 106 and name HG13) 2.4 0.5 0.5 volume=8.983 peak=2222 ppm1=0.623 ppm2=0.897 assign ( resid 69 and name HB3) ( resid 69 and name HD2) 3.6 0.7 0.7 volume=0.899 peak=3424 ppm1=1.894 ppm2=3.741 assign ( resid 95 and name HB2) ( resid 94 and name HA2) 4.6 0.9 0.9 volume=0.205 peak=1613 ppm1=2.602 ppm2=3.864 assign ( resid 36 and name HD2) ( resid 36 and name HG3) 4.2 0.8 0.8 volume=0.316 peak=2044 ppm1=4.030 ppm2=2.033 assign ( resid 78 and name HB2) ( resid 78 and name HA) 3.8 0.8 0.8 volume=0.658 peak=854 ppm1=3.104 ppm2=5.158 assign ( resid 27 and name HB2) ( resid 19 and name H) 4.8 1.0 1.0 volume=0.160 peak=1689 ppm1=1.383 ppm2=9.164 assign ( resid 70 and name HA) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.769 peak=1428 ppm1=4.726 ppm2=10.379 assign ( resid 3 and name HB3) ( resid 4 and name H) 3.6 0.7 0.7 volume=0.802 peak=1707 ppm1=1.908 ppm2=8.366 assign ( resid 81 and name HB) ( resid 105 and name HB2) 4.5 0.9 0.9 volume=0.231 peak=744 ppm1=1.760 ppm2=2.941 assign ( resid 116 and name HD1*) ( resid 19 and name HB3) 3.6 0.7 0.7 volume=0.846 peak=838 ppm1=0.380 ppm2=2.731 assign ( resid 28 and name HG3) ( resid 29 and name H) 4.8 1.0 1.0 volume=0.144 peak=2272 ppm1=1.929 ppm2=8.004 assign ( resid 129 and name HB3) ( resid 129 and name HB2) 3.1 0.6 0.6 volume=2.217 peak=3324 ppm1=3.196 ppm2=2.987 assign ( resid 65 and name HA) ( resid 64 and name H) 3.2 0.6 0.6 volume=1.696 peak=2692 ppm1=4.979 ppm2=8.118 assign ( resid 25 and name HB) ( resid 25 and name HA) 3.8 0.8 0.8 volume=0.630 peak=533 ppm1=1.919 ppm2=3.263 assign ( resid 93 and name HA3) ( resid 94 and name HA2) 4.5 0.9 0.9 volume=0.217 peak=1673 ppm1=4.497 ppm2=3.872 assign ( resid 53 and name HB2) ( resid 52 and name HA) 5.3 1.1 1.1 volume=0.085 peak=2271 ppm1=2.765 ppm2=4.933 assign ( resid 122 and name HG3) ( resid 123 and name H) 4.4 0.9 0.9 volume=0.248 peak=725 ppm1=1.379 ppm2=9.557 assign ( resid 24 and name HG3) ( resid 24 and name HA) 3.5 0.7 0.7 volume=1.036 peak=481 ppm1=1.380 ppm2=4.763 assign ( resid 125 and name HB3) ( resid 124 and name HA) 3.8 0.8 0.8 volume=0.576 peak=355 ppm1=1.935 ppm2=4.458 assign ( resid 126 and name HG1*) ( resid 127 and name H) 4.1 0.8 0.8 volume=0.383 peak=2979 ppm1=0.865 ppm2=9.576 assign ( resid 91 and name HA) ( resid 91 and name HB2) 3.2 0.6 0.6 volume=1.880 peak=2704 ppm1=4.544 ppm2=1.649 assign ( resid 3 and name HG3) ( resid 4 and name H) 4.6 0.9 0.9 volume=0.204 peak=3106 ppm1=2.411 ppm2=8.348 assign ( resid 119 and name HE*) ( resid 27 and name HG) 3.3 0.7 0.7 volume=1.477 peak=1199 ppm1=2.078 ppm2=1.539 assign ( resid 104 and name HA2) ( resid 104 and name HA3) 3.4 0.7 0.7 volume=1.092 peak=1564 ppm1=3.230 ppm2=4.631 assign ( resid 98 and name HD3) ( resid 98 and name HG2) 3.5 0.7 0.7 volume=1.015 peak=105 ppm1=1.268 ppm2=-0.173 assign ( resid 109 and name HD3) ( resid 109 and name HG3) 4.0 0.8 0.8 volume=0.441 peak=1163 ppm1=3.057 ppm2=1.381 assign ( resid 52 and name HG2) ( resid 52 and name HG3) 2.9 0.6 0.6 volume=2.882 peak=1956 ppm1=2.352 ppm2=2.033 assign ( resid 66 and name HB3) ( resid 66 and name HB2) 3.4 0.7 0.7 volume=1.285 peak=757 ppm1=2.565 ppm2=2.894 assign ( resid 68 and name HA) ( resid 67 and name H) 3.8 0.8 0.8 volume=0.658 peak=1424 ppm1=4.917 ppm2=8.198 assign ( resid 49 and name HB2) ( resid 50 and name H) 4.0 0.8 0.8 volume=0.448 peak=2883 ppm1=2.613 ppm2=7.523 assign ( resid 76 and name HD1*) ( resid 75 and name HA) 4.9 1.0 1.0 volume=0.127 peak=869 ppm1=0.147 ppm2=3.414 assign ( resid 56 and name HA) ( resid 55 and name HA) 4.9 1.0 1.0 volume=0.140 peak=3296 ppm1=4.017 ppm2=4.349 assign ( resid 119 and name HA) ( resid 120 and name H) 3.3 0.7 0.7 volume=1.419 peak=1219 ppm1=4.458 ppm2=7.304 assign ( resid 27 and name HG) ( resid 28 and name H) 3.4 0.7 0.7 volume=1.220 peak=2820 ppm1=1.535 ppm2=8.456 assign ( resid 73 and name HA) ( resid 73 and name HB3) 3.9 0.8 0.8 volume=0.487 peak=1409 ppm1=5.751 ppm2=2.791 assign ( resid 65 and name HG2) ( resid 65 and name HD3) 3.0 0.6 0.6 volume=2.422 peak=1045 ppm1=2.003 ppm2=3.703 assign ( resid 4 and name HG3) ( resid 4 and name HA) 3.0 0.6 0.6 volume=2.320 peak=1808 ppm1=2.237 ppm2=4.311 assign ( resid 57 and name HG2) ( resid 58 and name H) 4.4 0.9 0.9 volume=0.253 peak=2598 ppm1=1.133 ppm2=6.612 assign ( resid 20 and name HA) ( resid 20 and name HD*) 4.3 0.9 0.9 volume=0.283 peak=983 ppm1=4.450 ppm2=6.206 assign ( resid 36 and name HB2) ( resid 36 and name HD2) 4.5 0.9 0.9 volume=0.230 peak=2932 ppm1=2.522 ppm2=4.017 assign ( resid 103 and name HB2) ( resid 103 and name H) 4.7 0.9 0.9 volume=0.173 peak=2527 ppm1=3.688 ppm2=8.946 assign ( resid 84 and name HB3) ( resid 84 and name HD2) 4.6 0.9 0.9 volume=0.191 peak=2034 ppm1=3.934 ppm2=6.890 assign ( resid 113 and name HE*) ( resid 117 and name HD*) 3.5 0.7 0.7 volume=0.961 peak=1397 ppm1=2.084 ppm2=6.962 assign ( resid 75 and name HD3) ( resid 73 and name HE1) 4.8 1.0 1.0 volume=0.158 peak=1892 ppm1=1.004 ppm2=10.107 assign ( resid 126 and name HB) ( resid 126 and name HG1*) 3.5 0.7 0.7 volume=0.982 peak=2120 ppm1=1.797 ppm2=0.864 assign ( resid 68 and name HB3) ( resid 68 and name HA) 4.1 0.8 0.8 volume=0.400 peak=3318 ppm1=3.384 ppm2=4.917 assign ( resid 70 and name HG1*) ( resid 56 and name HD2*) 3.3 0.7 0.7 volume=1.380 peak=2261 ppm1=0.751 ppm2=-0.094 assign ( resid 28 and name HG3) ( resid 28 and name H) 4.1 0.8 0.8 volume=0.382 peak=2296 ppm1=1.933 ppm2=8.446 assign ( resid 61 and name HB3) ( resid 62 and name H) 4.0 0.8 0.8 volume=0.445 peak=1643 ppm1=2.715 ppm2=7.730 assign ( resid 89 and name HB3) ( resid 89 and name HB2) 4.2 0.8 0.8 volume=0.346 peak=950 ppm1=1.640 ppm2=1.171 assign ( resid 67 and name HB3) ( resid 66 and name HA) 3.7 0.7 0.7 volume=0.754 peak=1026 ppm1=1.665 ppm2=4.900 assign ( resid 122 and name HD2) ( resid 122 and name HE3) 3.4 0.7 0.7 volume=1.252 peak=675 ppm1=1.832 ppm2=3.129 assign ( resid 13 and name HB2) ( resid 13 and name HA) 3.3 0.7 0.7 volume=1.313 peak=2455 ppm1=2.076 ppm2=4.000 assign ( resid 39 and name HA) ( resid 39 and name HG2) 3.4 0.7 0.7 volume=1.131 peak=3448 ppm1=4.183 ppm2=1.838 assign ( resid 37 and name HB) ( resid 37 and name HG2*) 2.9 0.6 0.6 volume=3.141 peak=1853 ppm1=4.426 ppm2=1.268 assign ( resid 41 and name HB3) ( resid 41 and name HG2) 2.8 0.6 0.6 volume=4.003 peak=3257 ppm1=2.257 ppm2=2.024 assign ( resid 36 and name HD2) ( resid 35 and name HB3) 4.3 0.9 0.9 volume=0.307 peak=3228 ppm1=4.028 ppm2=1.453 assign ( resid 9 and name HG3) ( resid 9 and name HA) 4.1 0.8 0.8 volume=0.405 peak=1945 ppm1=2.680 ppm2=5.777 assign ( resid 110 and name HB3) ( resid 110 and name HD2) 3.7 0.7 0.7 volume=0.735 peak=1833 ppm1=2.648 ppm2=3.926 assign ( resid 62 and name HA) ( resid 62 and name HB2) 3.0 0.6 0.6 volume=2.491 peak=3414 ppm1=4.531 ppm2=3.089 assign ( resid 36 and name HB3) ( resid 37 and name HA) 3.7 0.7 0.7 volume=0.675 peak=108 ppm1=2.008 ppm2=4.266 assign ( resid 125 and name HD3) ( resid 125 and name HG2) 3.8 0.8 0.8 volume=0.572 peak=125 ppm1=4.313 ppm2=2.366 assign ( resid 31 and name HG2*) ( resid 31 and name HD1*) 3.0 0.6 0.6 volume=2.508 peak=1558 ppm1=0.609 ppm2=0.448 assign ( resid 69 and name HG2) ( resid 69 and name HD2) 3.2 0.6 0.6 volume=1.825 peak=1871 ppm1=1.893 ppm2=3.746 assign ( resid 57 and name HG2) ( resid 57 and name HE2) 3.4 0.7 0.7 volume=1.176 peak=398 ppm1=1.134 ppm2=2.775 assign ( resid 15 and name HA) ( resid 14 and name HA) 4.2 0.8 0.8 volume=0.328 peak=2375 ppm1=3.383 ppm2=4.808 assign ( resid 90 and name HB3) ( resid 90 and name HD2) 4.2 0.8 0.8 volume=0.343 peak=2347 ppm1=2.305 ppm2=4.110 assign ( resid 4 and name HB2) ( resid 4 and name HA) 3.3 0.7 0.7 volume=1.456 peak=621 ppm1=2.056 ppm2=4.301 assign ( resid 24 and name HG2) ( resid 24 and name HE3) 3.6 0.7 0.7 volume=0.797 peak=362 ppm1=1.408 ppm2=2.992 assign ( resid 50 and name HE3) ( resid 50 and name HD3) 2.4 0.5 0.5 volume=8.530 peak=1555 ppm1=3.024 ppm2=1.700 assign ( resid 120 and name HG1*) ( resid 119 and name HG3) 4.1 0.8 0.8 volume=0.396 peak=2194 ppm1=0.165 ppm2=2.724 assign ( resid 67 and name HA) ( resid 67 and name HB2) 3.1 0.6 0.6 volume=1.940 peak=2302 ppm1=4.972 ppm2=1.697 assign ( resid 114 and name HE3) ( resid 114 and name HG2) 2.9 0.6 0.6 volume=2.866 peak=2403 ppm1=3.015 ppm2=1.139 assign ( resid 117 and name HB3) ( resid 117 and name H) 4.4 0.9 0.9 volume=0.267 peak=935 ppm1=2.571 ppm2=8.859 assign ( resid 9 and name HG2) ( resid 9 and name HG3) 3.0 0.6 0.6 volume=2.701 peak=1568 ppm1=2.560 ppm2=2.677 assign ( resid 56 and name HB2) ( resid 56 and name HD1*) 3.9 0.8 0.8 volume=0.512 peak=1083 ppm1=1.396 ppm2=-0.691 assign ( resid 122 and name HE2) ( resid 122 and name HG3) 3.5 0.7 0.7 volume=0.954 peak=3470 ppm1=3.049 ppm2=1.379 assign ( resid 114 and name HG2) ( resid 114 and name HE3) 3.6 0.7 0.7 volume=0.840 peak=1908 ppm1=1.139 ppm2=3.015 assign ( resid 65 and name HD2) ( resid 65 and name HA) 4.9 1.0 1.0 volume=0.133 peak=2650 ppm1=3.892 ppm2=4.990 assign ( resid 90 and name HG3) ( resid 90 and name HA) 3.8 0.8 0.8 volume=0.566 peak=1790 ppm1=2.078 ppm2=4.489 assign ( resid 24 and name HD3) ( resid 24 and name HG2) 2.9 0.6 0.6 volume=3.169 peak=3348 ppm1=1.670 ppm2=1.408 assign ( resid 64 and name HG2*) ( resid 64 and name H) 3.2 0.6 0.6 volume=1.749 peak=2890 ppm1=1.267 ppm2=8.127 assign ( resid 67 and name HB2) ( resid 67 and name HG3) 3.2 0.6 0.6 volume=1.799 peak=1817 ppm1=1.697 ppm2=1.990 assign ( resid 128 and name HB) ( resid 128 and name HG1*) 3.2 0.6 0.6 volume=1.685 peak=2925 ppm1=2.464 ppm2=0.817 assign ( resid 112 and name HA) ( resid 112 and name HG1*) 3.1 0.6 0.6 volume=2.219 peak=1936 ppm1=3.836 ppm2=0.886 assign ( resid 100 and name HD3) ( resid 100 and name H) 5.3 1.1 1.1 volume=0.080 peak=3479 ppm1=3.106 ppm2=8.891 assign ( resid 25 and name HA) ( resid 25 and name HG2*) 3.4 0.7 0.7 volume=1.282 peak=2448 ppm1=3.262 ppm2=0.680 assign ( resid 41 and name HA) ( resid 41 and name HB3) 3.3 0.7 0.7 volume=1.385 peak=1299 ppm1=4.305 ppm2=2.257 assign ( resid 35 and name HG2) ( resid 35 and name HE2) 4.0 0.8 0.8 volume=0.428 peak=2002 ppm1=1.146 ppm2=2.878 assign ( resid 106 and name HG2*) ( resid 32 and name H) 3.7 0.7 0.7 volume=0.675 peak=2490 ppm1=0.660 ppm2=8.262 assign ( resid 92 and name HA) ( resid 92 and name HB2) 3.5 0.7 0.7 volume=0.964 peak=1577 ppm1=4.437 ppm2=2.563 assign ( resid 33 and name HA) ( resid 33 and name H) 4.0 0.8 0.8 volume=0.453 peak=1483 ppm1=4.866 ppm2=8.604 assign ( resid 84 and name HB2) ( resid 85 and name H) 4.4 0.9 0.9 volume=0.249 peak=3181 ppm1=3.714 ppm2=10.384 assign ( resid 71 and name HB2) ( resid 72 and name H) 4.1 0.8 0.8 volume=0.407 peak=3420 ppm1=2.435 ppm2=10.233 assign ( resid 58 and name HA3) ( resid 58 and name H) 3.7 0.7 0.7 volume=0.685 peak=3481 ppm1=3.368 ppm2=6.612 assign ( resid 126 and name HB) ( resid 127 and name H) 5.1 1.0 1.0 volume=0.104 peak=317 ppm1=1.798 ppm2=9.576 assign ( resid 122 and name HG3) ( resid 122 and name HD2) 3.3 0.7 0.7 volume=1.555 peak=3013 ppm1=1.379 ppm2=1.832 assign ( resid 26 and name HB*) ( resid 27 and name H) 3.2 0.6 0.6 volume=1.815 peak=2528 ppm1=1.258 ppm2=7.631 assign ( resid 38 and name HA) ( resid 39 and name HB2) 3.9 0.8 0.8 volume=0.533 peak=595 ppm1=4.581 ppm2=2.015 assign ( resid 57 and name HA) ( resid 56 and name HB3) 3.4 0.7 0.7 volume=1.272 peak=1362 ppm1=4.621 ppm2=1.155 assign ( resid 16 and name HB2) ( resid 16 and name HA) 4.6 0.9 0.9 volume=0.206 peak=1522 ppm1=2.684 ppm2=4.962 assign ( resid 122 and name HA) ( resid 122 and name HB3) 3.4 0.7 0.7 volume=1.111 peak=1252 ppm1=3.685 ppm2=1.711 assign ( resid 119 and name HE*) ( resid 26 and name HB*) 2.8 0.6 0.6 volume=3.802 peak=1082 ppm1=2.078 ppm2=1.251 assign ( resid 13 and name HA) ( resid 13 and name HB2) 3.2 0.6 0.6 volume=1.754 peak=3384 ppm1=3.998 ppm2=2.088 assign ( resid 98 and name HA) ( resid 98 and name HE2) 4.5 0.9 0.9 volume=0.218 peak=1658 ppm1=3.084 ppm2=2.744 assign ( resid 28 and name HB3) ( resid 28 and name H) 4.8 1.0 1.0 volume=0.147 peak=1436 ppm1=1.530 ppm2=8.446 assign ( resid 106 and name HG2*) ( resid 107 and name H) 3.9 0.8 0.8 volume=0.501 peak=2543 ppm1=0.662 ppm2=8.994 assign ( resid 100 and name HB2) ( resid 100 and name HB3) 3.0 0.6 0.6 volume=2.573 peak=129 ppm1=2.294 ppm2=1.485 assign ( resid 3 and name HG3) ( resid 3 and name HA) 3.9 0.8 0.8 volume=0.552 peak=2054 ppm1=2.412 ppm2=4.333 assign ( resid 35 and name HE3) ( resid 35 and name HG3) 3.4 0.7 0.7 volume=1.194 peak=3409 ppm1=2.839 ppm2=1.609 assign ( resid 109 and name HB3) ( resid 109 and name HA) 4.3 0.9 0.9 volume=0.304 peak=1073 ppm1=1.340 ppm2=4.444 assign ( resid 100 and name HD3) ( resid 100 and name HE) 4.1 0.8 0.8 volume=0.413 peak=401 ppm1=3.106 ppm2=7.195 assign ( resid 14 and name HB3) ( resid 14 and name H) 4.0 0.8 0.8 volume=0.443 peak=2368 ppm1=2.271 ppm2=7.740 assign ( resid 3 and name HE*) ( resid 129 and name HD*) 4.4 0.9 0.9 volume=0.237 peak=1010 ppm1=1.944 ppm2=7.182 assign ( resid 115 and name HA) ( resid 115 and name HG2) 3.6 0.7 0.7 volume=0.894 peak=3273 ppm1=3.953 ppm2=2.349 assign ( resid 21 and name HD2) ( resid 21 and name HG3) 3.0 0.6 0.6 volume=2.518 peak=1269 ppm1=1.606 ppm2=1.203 assign ( resid 55 and name HA) ( resid 54 and name HB*) 3.6 0.7 0.7 volume=0.789 peak=3501 ppm1=4.349 ppm2=0.909 assign ( resid 109 and name HB2) ( resid 109 and name HD2) 4.2 0.8 0.8 volume=0.318 peak=2207 ppm1=2.015 ppm2=2.950 assign ( resid 114 and name HB2) ( resid 114 and name H) 3.5 0.7 0.7 volume=0.964 peak=3097 ppm1=1.744 ppm2=7.511 assign ( resid 111 and name HB2) ( resid 112 and name H) 4.4 0.9 0.9 volume=0.260 peak=1053 ppm1=3.887 ppm2=6.713 assign ( resid 122 and name HA) ( resid 121 and name HG3) 4.9 1.0 1.0 volume=0.135 peak=1946 ppm1=3.688 ppm2=2.251 assign ( resid 91 and name HA) ( resid 91 and name H) 4.2 0.8 0.8 volume=0.332 peak=2941 ppm1=4.544 ppm2=7.019 assign ( resid 116 and name HB3) ( resid 116 and name HD1*) 3.9 0.8 0.8 volume=0.491 peak=1488 ppm1=1.783 ppm2=0.379 assign ( resid 9 and name HA) ( resid 9 and name HG3) 3.7 0.7 0.7 volume=0.684 peak=2845 ppm1=5.773 ppm2=2.678 assign ( resid 24 and name HE2) ( resid 24 and name HA) 3.5 0.7 0.7 volume=0.971 peak=439 ppm1=3.044 ppm2=4.763 assign ( resid 23 and name HA3) ( resid 23 and name H) 3.4 0.7 0.7 volume=1.094 peak=1600 ppm1=3.769 ppm2=8.851 assign ( resid 65 and name HB2) ( resid 65 and name HA) 3.3 0.7 0.7 volume=1.340 peak=3368 ppm1=1.862 ppm2=4.978 assign ( resid 69 and name HG2) ( resid 69 and name HB2) 2.5 0.5 0.5 volume=7.627 peak=298 ppm1=1.893 ppm2=2.183 assign ( resid 62 and name HB3) ( resid 62 and name HA) 3.2 0.6 0.6 volume=1.600 peak=1920 ppm1=2.625 ppm2=4.517 assign ( resid 67 and name HA) ( resid 67 and name HG2) 3.2 0.6 0.6 volume=1.703 peak=3421 ppm1=4.972 ppm2=1.913 assign ( resid 98 and name HG3) ( resid 98 and name HD3) 4.1 0.8 0.8 volume=0.368 peak=2640 ppm1=-0.333 ppm2=1.285 assign ( resid 26 and name HB*) ( resid 26 and name HA) 2.5 0.5 0.5 volume=7.210 peak=764 ppm1=1.255 ppm2=4.445 assign ( resid 125 and name HB2) ( resid 125 and name HG3) 3.6 0.7 0.7 volume=0.918 peak=2896 ppm1=2.338 ppm2=2.184 assign ( resid 17 and name HA) ( resid 17 and name H) 4.9 1.0 1.0 volume=0.129 peak=2915 ppm1=5.630 ppm2=8.253 assign ( resid 17 and name HA) ( resid 16 and name HB2) 4.5 0.9 0.9 volume=0.214 peak=1235 ppm1=5.630 ppm2=2.684 assign ( resid 27 and name HD1*) ( resid 27 and name HA) 3.8 0.8 0.8 volume=0.640 peak=1843 ppm1=0.640 ppm2=4.487 assign ( resid 116 and name HD2*) ( resid 116 and name HB3) 3.0 0.6 0.6 volume=2.783 peak=2646 ppm1=0.617 ppm2=1.769 assign ( resid 109 and name HG3) ( resid 109 and name HA) 4.0 0.8 0.8 volume=0.462 peak=2973 ppm1=1.385 ppm2=4.442 assign ( resid 123 and name HA3) ( resid 122 and name HB3) 6.0 1.2 1.2 volume=0.039 peak=3155 ppm1=3.350 ppm2=1.698 assign ( resid 39 and name HD2) ( resid 38 and name HB) 4.1 0.8 0.8 volume=0.411 peak=1037 ppm1=3.424 ppm2=4.343 assign ( resid 84 and name HB2) ( resid 84 and name HA) 4.2 0.8 0.8 volume=0.338 peak=1860 ppm1=3.718 ppm2=5.652 assign ( resid 31 and name HA) ( resid 32 and name HA) 4.2 0.8 0.8 volume=0.331 peak=2786 ppm1=5.090 ppm2=4.809 assign ( resid 99 and name HA) ( resid 99 and name H) 3.7 0.7 0.7 volume=0.669 peak=2748 ppm1=4.480 ppm2=7.410 assign ( resid 81 and name HB) ( resid 82 and name HA2) 4.4 0.9 0.9 volume=0.250 peak=3002 ppm1=1.760 ppm2=4.033 assign ( resid 111 and name HB2) ( resid 111 and name H) 4.1 0.8 0.8 volume=0.407 peak=2512 ppm1=3.887 ppm2=8.925 assign ( resid 63 and name HA3) ( resid 63 and name HA2) 2.9 0.6 0.6 volume=2.934 peak=1943 ppm1=4.362 ppm2=3.614 assign ( resid 122 and name HB2) ( resid 122 and name H) 3.5 0.7 0.7 volume=0.939 peak=3260 ppm1=1.692 ppm2=9.207 assign ( resid 21 and name HE2) ( resid 21 and name HB2) 3.1 0.6 0.6 volume=1.893 peak=76 ppm1=3.009 ppm2=1.520 assign ( resid 114 and name HA) ( resid 114 and name HE2) 4.7 0.9 0.9 volume=0.162 peak=1355 ppm1=2.798 ppm2=2.988 assign ( resid 36 and name HD3) ( resid 36 and name HG3) 3.3 0.7 0.7 volume=1.497 peak=2807 ppm1=3.712 ppm2=2.025 assign ( resid 70 and name HG2*) ( resid 72 and name H) 4.0 0.8 0.8 volume=0.435 peak=3226 ppm1=0.515 ppm2=10.233 assign ( resid 96 and name HD1*) ( resid 96 and name HB2) 3.0 0.6 0.6 volume=2.669 peak=663 ppm1=0.621 ppm2=2.101 assign ( resid 28 and name HB2) ( resid 27 and name HA) 4.1 0.8 0.8 volume=0.412 peak=2568 ppm1=1.930 ppm2=4.487 assign ( resid 27 and name HG) ( resid 27 and name HD2*) 4.1 0.8 0.8 volume=0.367 peak=737 ppm1=1.535 ppm2=0.819 assign ( resid 110 and name HB2) ( resid 110 and name HA) 3.7 0.7 0.7 volume=0.706 peak=1057 ppm1=2.127 ppm2=3.972 assign ( resid 32 and name HG1*) ( resid 93 and name H) 3.5 0.7 0.7 volume=0.974 peak=1937 ppm1=1.008 ppm2=7.988 assign ( resid 24 and name HE2) ( resid 24 and name HD2) 3.1 0.6 0.6 volume=2.181 peak=266 ppm1=3.044 ppm2=1.708 assign ( resid 24 and name HB3) ( resid 24 and name HD2) 2.4 0.5 0.5 volume=9.647 peak=1676 ppm1=1.771 ppm2=1.708 assign ( resid 84 and name HB3) ( resid 84 and name HA) 4.2 0.8 0.8 volume=0.319 peak=2215 ppm1=3.921 ppm2=5.654 assign ( resid 99 and name HG2*) ( resid 99 and name HB) 2.7 0.5 0.5 volume=4.791 peak=2166 ppm1=1.081 ppm2=4.154 assign ( resid 113 and name HE*) ( resid 117 and name HB2) 2.9 0.6 0.6 volume=2.972 peak=2546 ppm1=2.086 ppm2=2.445 assign ( resid 61 and name HB2) ( resid 61 and name HA) 3.1 0.6 0.6 volume=2.050 peak=2902 ppm1=2.689 ppm2=4.379 assign ( resid 106 and name HA) ( resid 106 and name HD1*) 3.2 0.6 0.6 volume=1.642 peak=3370 ppm1=3.809 ppm2=0.623 assign ( resid 38 and name HG2*) ( resid 38 and name HA) 3.1 0.6 0.6 volume=2.136 peak=175 ppm1=1.161 ppm2=4.571 assign ( resid 53 and name HA) ( resid 53 and name HB2) 3.3 0.7 0.7 volume=1.421 peak=1019 ppm1=4.389 ppm2=2.767 assign ( resid 114 and name HG2) ( resid 114 and name H) 4.5 0.9 0.9 volume=0.210 peak=3485 ppm1=1.139 ppm2=7.511 assign ( resid 35 and name HE3) ( resid 35 and name HB3) 3.9 0.8 0.8 volume=0.484 peak=1041 ppm1=2.836 ppm2=1.453 assign ( resid 37 and name HA) ( resid 38 and name H) 4.0 0.8 0.8 volume=0.422 peak=2122 ppm1=4.266 ppm2=7.728 assign ( resid 38 and name HA) ( resid 39 and name HD3) 3.1 0.6 0.6 volume=2.108 peak=1067 ppm1=4.580 ppm2=3.399 assign ( resid 89 and name HB2) ( resid 89 and name H) 4.4 0.9 0.9 volume=0.270 peak=1834 ppm1=1.167 ppm2=7.146 assign ( resid 31 and name HG12) ( resid 31 and name HA) 4.5 0.9 0.9 volume=0.216 peak=286 ppm1=0.797 ppm2=5.098 assign ( resid 21 and name HE2) ( resid 21 and name HB3) 3.1 0.6 0.6 volume=2.215 peak=2954 ppm1=3.009 ppm2=1.105 assign ( resid 89 and name HB3) ( resid 89 and name H) 4.5 0.9 0.9 volume=0.217 peak=835 ppm1=1.639 ppm2=7.143 assign ( resid 41 and name HD2) ( resid 41 and name HG3) 3.4 0.7 0.7 volume=1.216 peak=901 ppm1=3.619 ppm2=1.974 assign ( resid 16 and name HB2) ( resid 16 and name HD2) 4.9 1.0 1.0 volume=0.125 peak=3059 ppm1=2.684 ppm2=4.377 assign ( resid 9 and name HG2) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.328 peak=3429 ppm1=2.560 ppm2=9.791 assign ( resid 15 and name HB3) ( resid 14 and name HA) 4.7 0.9 0.9 volume=0.166 peak=3195 ppm1=2.535 ppm2=4.812 assign ( resid 55 and name HG2*) ( resid 55 and name HB) 2.7 0.5 0.5 volume=4.260 peak=1543 ppm1=0.808 ppm2=3.730 assign ( resid 48 and name HB3) ( resid 48 and name HD1) 4.7 0.9 0.9 volume=0.175 peak=1931 ppm1=3.515 ppm2=6.499 assign ( resid 73 and name HB2) ( resid 73 and name HB3) 4.0 0.8 0.8 volume=0.477 peak=3164 ppm1=3.037 ppm2=2.814 assign ( resid 113 and name HE*) ( resid 113 and name HB3) 3.5 0.7 0.7 volume=1.006 peak=2394 ppm1=2.084 ppm2=1.379 assign ( resid 12 and name HB3) ( resid 13 and name HA) 5.8 1.2 1.2 volume=0.046 peak=3293 ppm1=0.958 ppm2=4.000 assign ( resid 62 and name HB2) ( resid 63 and name H) 4.3 0.9 0.9 volume=0.290 peak=608 ppm1=3.101 ppm2=8.141 assign ( resid 114 and name HA) ( resid 114 and name HG3) 3.5 0.7 0.7 volume=0.935 peak=2140 ppm1=2.797 ppm2=1.319 assign ( resid 38 and name HA) ( resid 39 and name HG2) 4.3 0.9 0.9 volume=0.294 peak=8 ppm1=4.580 ppm2=1.831 assign ( resid 47 and name HG1*) ( resid 47 and name HA) 3.4 0.7 0.7 volume=1.231 peak=825 ppm1=0.726 ppm2=4.039 assign ( resid 69 and name HD3) ( resid 68 and name HB2) 3.8 0.8 0.8 volume=0.575 peak=3254 ppm1=3.591 ppm2=3.447 assign ( resid 3 and name HE*) ( resid 127 and name HD1*) 3.0 0.6 0.6 volume=2.655 peak=1597 ppm1=1.943 ppm2=0.830 assign ( resid 2 and name HB3) ( resid 3 and name H) 4.6 0.9 0.9 volume=0.207 peak=3462 ppm1=3.057 ppm2=8.403 assign ( resid 90 and name HG3) ( resid 91 and name H) 4.1 0.8 0.8 volume=0.383 peak=1870 ppm1=2.076 ppm2=7.005 assign ( resid 120 and name HA) ( resid 121 and name HG3) 4.4 0.9 0.9 volume=0.247 peak=480 ppm1=3.650 ppm2=2.248 assign ( resid 43 and name HA3) ( resid 44 and name HA) 4.8 1.0 1.0 volume=0.148 peak=3236 ppm1=4.038 ppm2=4.470 assign ( resid 127 and name HB2) ( resid 128 and name HA) 3.6 0.7 0.7 volume=0.786 peak=2706 ppm1=1.878 ppm2=5.050 assign ( resid 89 and name HA) ( resid 89 and name HE21) 4.9 1.0 1.0 volume=0.126 peak=889 ppm1=5.206 ppm2=7.608 assign ( resid 121 and name HB3) ( resid 120 and name HA) 4.2 0.8 0.8 volume=0.337 peak=1958 ppm1=2.072 ppm2=3.644 assign ( resid 110 and name HG2) ( resid 110 and name HB3) 3.6 0.7 0.7 volume=0.849 peak=1360 ppm1=2.366 ppm2=2.648 assign ( resid 84 and name HB3) ( resid 73 and name HE3) 4.6 0.9 0.9 volume=0.192 peak=1139 ppm1=3.920 ppm2=7.626 assign ( resid 57 and name HB2) ( resid 57 and name HE3) 4.4 0.9 0.9 volume=0.249 peak=2208 ppm1=1.456 ppm2=2.783 assign ( resid 114 and name HG2) ( resid 114 and name HB3) 3.1 0.6 0.6 volume=2.175 peak=3046 ppm1=1.139 ppm2=1.770 assign ( resid 119 and name HE*) ( resid 119 and name HA) 3.3 0.7 0.7 volume=1.505 peak=1626 ppm1=2.078 ppm2=4.460 assign ( resid 57 and name HD2) ( resid 57 and name HE2) 2.9 0.6 0.6 volume=2.835 peak=301 ppm1=1.506 ppm2=2.776 assign ( resid 103 and name HB3) ( resid 103 and name HA) 4.2 0.8 0.8 volume=0.332 peak=2357 ppm1=3.377 ppm2=5.091 assign ( resid 35 and name HA) ( resid 35 and name HG3) 4.4 0.9 0.9 volume=0.255 peak=2160 ppm1=5.117 ppm2=1.598 assign ( resid 106 and name HG13) ( resid 106 and name HD1*) 3.0 0.6 0.6 volume=2.771 peak=560 ppm1=0.897 ppm2=0.623 assign ( resid 88 and name HB2) ( resid 89 and name H) 4.4 0.9 0.9 volume=0.245 peak=1388 ppm1=3.478 ppm2=7.143 assign ( resid 6 and name HA) ( resid 7 and name HB3) 4.3 0.9 0.9 volume=0.299 peak=2355 ppm1=5.223 ppm2=2.733 assign ( resid 30 and name HB3) ( resid 30 and name H) 3.9 0.8 0.8 volume=0.485 peak=2169 ppm1=2.659 ppm2=8.398 assign ( resid 12 and name HA) ( resid 13 and name HB2) 4.6 0.9 0.9 volume=0.204 peak=1891 ppm1=3.700 ppm2=2.076 assign ( resid 105 and name HB2) ( resid 105 and name HA) 3.9 0.8 0.8 volume=0.537 peak=64 ppm1=2.934 ppm2=4.680 assign ( resid 9 and name HA) ( resid 9 and name HB2) 3.7 0.7 0.7 volume=0.698 peak=167 ppm1=5.773 ppm2=2.453 assign ( resid 90 and name HG2) ( resid 90 and name HD3) 3.6 0.7 0.7 volume=0.819 peak=1656 ppm1=1.952 ppm2=3.988 assign ( resid 116 and name HB2) ( resid 116 and name H) 3.8 0.8 0.8 volume=0.566 peak=1944 ppm1=1.230 ppm2=8.668 assign ( resid 56 and name HA) ( resid 57 and name H) 3.1 0.6 0.6 volume=2.239 peak=1852 ppm1=4.018 ppm2=8.058 assign ( resid 9 and name HB3) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.346 peak=782 ppm1=2.575 ppm2=9.791 assign ( resid 114 and name HB2) ( resid 115 and name H) 3.9 0.8 0.8 volume=0.541 peak=3337 ppm1=1.744 ppm2=6.761 assign ( resid 116 and name HA) ( resid 116 and name H) 3.9 0.8 0.8 volume=0.531 peak=2978 ppm1=3.579 ppm2=8.670 assign ( resid 56 and name HB2) ( resid 57 and name H) 4.1 0.8 0.8 volume=0.408 peak=3107 ppm1=1.392 ppm2=8.066 assign ( resid 94 and name HA3) ( resid 95 and name H) 3.7 0.7 0.7 volume=0.735 peak=1281 ppm1=3.978 ppm2=8.529 assign ( resid 77 and name HB3) ( resid 77 and name H) 5.4 1.1 1.1 volume=0.075 peak=1662 ppm1=2.465 ppm2=7.539 assign ( resid 74 and name HA) ( resid 74 and name HE*) 4.1 0.8 0.8 volume=0.384 peak=2945 ppm1=4.914 ppm2=1.643 assign ( resid 29 and name HG2*) ( resid 29 and name HG1) 3.3 0.7 0.7 volume=1.439 peak=61 ppm1=0.561 ppm2=5.510 assign ( resid 22 and name HB3) ( resid 21 and name HG3) 4.2 0.8 0.8 volume=0.345 peak=1161 ppm1=2.892 ppm2=1.201 assign ( resid 98 and name HG2) ( resid 98 and name HD2) 3.8 0.8 0.8 volume=0.565 peak=2138 ppm1=-0.170 ppm2=1.253 assign ( resid 98 and name HG2) ( resid 98 and name HG3) 3.8 0.8 0.8 volume=0.568 peak=2746 ppm1=-0.168 ppm2=-0.334 assign ( resid 69 and name HD3) ( resid 68 and name H) 4.5 0.9 0.9 volume=0.227 peak=686 ppm1=3.591 ppm2=9.238 assign ( resid 21 and name HB2) ( resid 21 and name HA) 3.7 0.7 0.7 volume=0.662 peak=265 ppm1=1.523 ppm2=4.535 assign ( resid 69 and name HD2) ( resid 68 and name HB3) 4.0 0.8 0.8 volume=0.452 peak=1129 ppm1=3.742 ppm2=3.384 assign ( resid 12 and name HB3) ( resid 12 and name HG) 4.1 0.8 0.8 volume=0.362 peak=3323 ppm1=0.958 ppm2=1.456 assign ( resid 115 and name HG2) ( resid 115 and name HA) 3.1 0.6 0.6 volume=1.886 peak=357 ppm1=2.350 ppm2=3.953 assign ( resid 36 and name HG3) ( resid 36 and name HG2) 3.0 0.6 0.6 volume=2.781 peak=1365 ppm1=2.016 ppm2=1.846 assign ( resid 69 and name HB2) ( resid 69 and name HA) 3.7 0.7 0.7 volume=0.722 peak=2115 ppm1=2.199 ppm2=4.836 assign ( resid 83 and name HG12) ( resid 83 and name HD1*) 3.0 0.6 0.6 volume=2.549 peak=637 ppm1=1.464 ppm2=0.656 assign ( resid 88 and name HB3) ( resid 88 and name HA) 3.7 0.7 0.7 volume=0.736 peak=819 ppm1=3.335 ppm2=4.657 assign ( resid 109 and name HG3) ( resid 109 and name HB3) 2.9 0.6 0.6 volume=3.310 peak=2236 ppm1=1.385 ppm2=1.330 assign ( resid 58 and name HA2) ( resid 58 and name HA3) 2.9 0.6 0.6 volume=2.804 peak=1103 ppm1=3.910 ppm2=3.360 assign ( resid 27 and name HA) ( resid 26 and name H) 4.5 0.9 0.9 volume=0.223 peak=1682 ppm1=4.487 ppm2=9.290 assign ( resid 87 and name HA) ( resid 88 and name H) 4.3 0.9 0.9 volume=0.299 peak=3440 ppm1=4.208 ppm2=7.019 assign ( resid 109 and name HD3) ( resid 109 and name HG2) 4.3 0.9 0.9 volume=0.276 peak=104 ppm1=3.057 ppm2=-0.094 assign ( resid 49 and name HB2) ( resid 49 and name HD21) 3.7 0.7 0.7 volume=0.670 peak=3099 ppm1=2.614 ppm2=7.233 assign ( resid 49 and name HB2) ( resid 75 and name HD3) 4.5 0.9 0.9 volume=0.214 peak=1653 ppm1=2.606 ppm2=1.017 assign ( resid 57 and name HD3) ( resid 57 and name HB3) 3.2 0.6 0.6 volume=1.836 peak=3325 ppm1=1.518 ppm2=1.663 assign ( resid 42 and name HB*) ( resid 43 and name HA3) 4.6 0.9 0.9 volume=0.183 peak=1529 ppm1=1.421 ppm2=4.038 assign ( resid 41 and name HA) ( resid 41 and name HD3) 4.3 0.9 0.9 volume=0.311 peak=2416 ppm1=4.305 ppm2=3.788 assign ( resid 112 and name HA) ( resid 112 and name HB) 3.6 0.7 0.7 volume=0.780 peak=2153 ppm1=3.838 ppm2=1.764 assign ( resid 83 and name HB) ( resid 83 and name HA) 4.8 1.0 1.0 volume=0.147 peak=751 ppm1=1.461 ppm2=4.647 assign ( resid 74 and name HG3) ( resid 74 and name HE*) 3.0 0.6 0.6 volume=2.493 peak=2523 ppm1=2.294 ppm2=1.630 assign ( resid 73 and name HB2) ( resid 73 and name HA) 4.5 0.9 0.9 volume=0.209 peak=1491 ppm1=3.038 ppm2=5.750 assign ( resid 97 and name HA) ( resid 97 and name HB3) 3.9 0.8 0.8 volume=0.501 peak=1962 ppm1=3.740 ppm2=3.075 assign ( resid 23 and name HA3) ( resid 24 and name HB2) 4.4 0.9 0.9 volume=0.240 peak=2624 ppm1=3.772 ppm2=1.693 assign ( resid 36 and name HA) ( resid 36 and name HB2) 3.5 0.7 0.7 volume=0.949 peak=2916 ppm1=4.379 ppm2=2.518 assign ( resid 41 and name HB3) ( resid 42 and name H) 4.1 0.8 0.8 volume=0.361 peak=1173 ppm1=2.256 ppm2=7.592 assign ( resid 113 and name HE*) ( resid 84 and name HB3) 3.8 0.8 0.8 volume=0.613 peak=1590 ppm1=2.087 ppm2=3.930 assign ( resid 24 and name HD3) ( resid 24 and name HE3) 3.3 0.7 0.7 volume=1.449 peak=3143 ppm1=1.670 ppm2=2.992 assign ( resid 17 and name HB3) ( resid 17 and name HA) 4.4 0.9 0.9 volume=0.242 peak=3074 ppm1=1.477 ppm2=5.630 assign ( resid 24 and name HB3) ( resid 24 and name H) 3.7 0.7 0.7 volume=0.762 peak=3098 ppm1=1.774 ppm2=7.600 assign ( resid 127 and name HB2) ( resid 127 and name HD1*) 3.1 0.6 0.6 volume=2.055 peak=538 ppm1=1.878 ppm2=0.830 assign ( resid 114 and name HD2) ( resid 114 and name HG3) 3.2 0.6 0.6 volume=1.707 peak=798 ppm1=1.688 ppm2=1.319 assign ( resid 121 and name HG2) ( resid 121 and name H) 3.6 0.7 0.7 volume=0.860 peak=72 ppm1=2.394 ppm2=8.106 assign ( resid 114 and name HB2) ( resid 114 and name HA) 3.8 0.8 0.8 volume=0.623 peak=445 ppm1=1.744 ppm2=2.797 assign ( resid 40 and name HB) ( resid 39 and name HA) 4.6 0.9 0.9 volume=0.190 peak=1443 ppm1=3.703 ppm2=4.183 assign ( resid 76 and name HD1*) ( resid 76 and name H) 4.0 0.8 0.8 volume=0.481 peak=289 ppm1=0.151 ppm2=8.182 assign ( resid 44 and name HG2*) ( resid 45 and name H) 3.7 0.7 0.7 volume=0.756 peak=859 ppm1=0.895 ppm2=9.265 assign ( resid 21 and name HD3) ( resid 21 and name HA) 4.0 0.8 0.8 volume=0.422 peak=2712 ppm1=1.756 ppm2=4.535 assign ( resid 75 and name HA) ( resid 75 and name HB3) 4.1 0.8 0.8 volume=0.379 peak=3530 ppm1=3.419 ppm2=1.669 assign ( resid 38 and name HA) ( resid 39 and name HG3) 3.9 0.8 0.8 volume=0.544 peak=2635 ppm1=4.581 ppm2=1.979 assign ( resid 116 and name HA) ( resid 119 and name H) 4.4 0.9 0.9 volume=0.255 peak=1225 ppm1=3.579 ppm2=7.335 assign ( resid 35 and name HB2) ( resid 35 and name HG3) 3.9 0.8 0.8 volume=0.505 peak=1458 ppm1=2.162 ppm2=1.603 assign ( resid 114 and name HB3) ( resid 114 and name HG2) 3.8 0.8 0.8 volume=0.597 peak=1520 ppm1=1.770 ppm2=1.139 assign ( resid 39 and name HD2) ( resid 38 and name H) 4.2 0.8 0.8 volume=0.323 peak=2560 ppm1=3.424 ppm2=7.728 assign ( resid 47 and name HA) ( resid 46 and name H) 4.3 0.9 0.9 volume=0.290 peak=3417 ppm1=4.035 ppm2=7.920 assign ( resid 64 and name HB) ( resid 64 and name H) 4.2 0.8 0.8 volume=0.338 peak=448 ppm1=4.338 ppm2=8.109 assign ( resid 103 and name HA) ( resid 104 and name H) 4.2 0.8 0.8 volume=0.320 peak=975 ppm1=5.108 ppm2=8.806 assign ( resid 7 and name HB3) ( resid 8 and name H) 4.6 0.9 0.9 volume=0.191 peak=2764 ppm1=2.733 ppm2=9.226 assign ( resid 115 and name HG3) ( resid 115 and name HA) 3.4 0.7 0.7 volume=1.206 peak=3467 ppm1=2.198 ppm2=3.953 assign ( resid 129 and name HA) ( resid 129 and name HD*) 5.8 1.2 1.2 volume=0.047 peak=2550 ppm1=4.811 ppm2=7.191 assign ( resid 6 and name HB) ( resid 6 and name HG2*) 3.2 0.6 0.6 volume=1.705 peak=1959 ppm1=4.196 ppm2=1.590 assign ( resid 37 and name HG2*) ( resid 38 and name H) 4.2 0.8 0.8 volume=0.353 peak=1215 ppm1=1.281 ppm2=7.728 assign ( resid 106 and name HG2*) ( resid 106 and name HG12) 3.5 0.7 0.7 volume=0.998 peak=2300 ppm1=0.658 ppm2=1.348 assign ( resid 39 and name HA) ( resid 40 and name H) 3.7 0.7 0.7 volume=0.747 peak=1477 ppm1=4.184 ppm2=8.709 assign ( resid 96 and name HB2) ( resid 96 and name HG) 4.0 0.8 0.8 volume=0.427 peak=3250 ppm1=2.102 ppm2=1.729 assign ( resid 68 and name HB2) ( resid 56 and name HD2*) 3.9 0.8 0.8 volume=0.513 peak=1725 ppm1=3.446 ppm2=-0.093 assign ( resid 5 and name HA) ( resid 5 and name HB2) 2.9 0.6 0.6 volume=2.922 peak=1788 ppm1=4.677 ppm2=2.693 assign ( resid 47 and name HB) ( resid 48 and name H) 5.2 1.0 1.0 volume=0.094 peak=2048 ppm1=1.957 ppm2=8.001 assign ( resid 96 and name HA) ( resid 96 and name H) 3.8 0.8 0.8 volume=0.584 peak=3078 ppm1=3.875 ppm2=7.928 assign ( resid 106 and name HB) ( resid 105 and name HA) 4.0 0.8 0.8 volume=0.419 peak=707 ppm1=1.721 ppm2=4.680 assign ( resid 57 and name HE3) ( resid 57 and name HB3) 3.4 0.7 0.7 volume=1.245 peak=908 ppm1=2.783 ppm2=1.663 assign ( resid 50 and name HD2) ( resid 50 and name H) 3.9 0.8 0.8 volume=0.498 peak=1726 ppm1=1.816 ppm2=7.528 assign ( resid 54 and name HA) ( resid 54 and name HB*) 2.9 0.6 0.6 volume=2.917 peak=3246 ppm1=4.495 ppm2=0.906 assign ( resid 79 and name HA) ( resid 79 and name HB) 3.3 0.7 0.7 volume=1.402 peak=1493 ppm1=4.680 ppm2=4.457 assign ( resid 112 and name HG2*) ( resid 112 and name HA) 2.9 0.6 0.6 volume=2.970 peak=1987 ppm1=0.667 ppm2=3.843 assign ( resid 21 and name HA) ( resid 20 and name HB2) 3.6 0.7 0.7 volume=0.863 peak=2588 ppm1=4.545 ppm2=2.016 assign ( resid 75 and name HB3) ( resid 75 and name HA) 4.7 0.9 0.9 volume=0.160 peak=369 ppm1=1.669 ppm2=3.418 assign ( resid 28 and name HA) ( resid 28 and name HB2) 3.2 0.6 0.6 volume=1.881 peak=1780 ppm1=4.983 ppm2=1.930 assign ( resid 49 and name HA) ( resid 50 and name H) 3.4 0.7 0.7 volume=1.149 peak=1319 ppm1=4.642 ppm2=7.534 assign ( resid 26 and name HB*) ( resid 27 and name HB3) 3.7 0.7 0.7 volume=0.734 peak=561 ppm1=1.258 ppm2=1.774 assign ( resid 67 and name HG3) ( resid 67 and name HG2) 2.3 0.5 0.5 volume=13.718 peak=2741 ppm1=1.989 ppm2=1.916 assign ( resid 114 and name HD2) ( resid 114 and name HE2) 3.0 0.6 0.6 volume=2.515 peak=1874 ppm1=1.688 ppm2=2.987 assign ( resid 121 and name HA) ( resid 121 and name HB3) 3.4 0.7 0.7 volume=1.225 peak=85 ppm1=4.413 ppm2=2.069 assign ( resid 83 and name HG13) ( resid 83 and name HD1*) 2.9 0.6 0.6 volume=3.153 peak=470 ppm1=0.703 ppm2=0.656 assign ( resid 23 and name HA2) ( resid 22 and name HA) 2.9 0.6 0.6 volume=2.814 peak=428 ppm1=4.211 ppm2=4.176 assign ( resid 12 and name HA) ( resid 12 and name HD2*) 3.3 0.7 0.7 volume=1.382 peak=2453 ppm1=3.700 ppm2=0.409 assign ( resid 83 and name HG12) ( resid 83 and name HB) 3.9 0.8 0.8 volume=0.550 peak=1733 ppm1=1.462 ppm2=1.468 assign ( resid 59 and name HB) ( resid 60 and name H) 3.6 0.7 0.7 volume=0.900 peak=174 ppm1=3.867 ppm2=9.421 assign ( resid 75 and name HG3) ( resid 49 and name HB3) 4.1 0.8 0.8 volume=0.372 peak=404 ppm1=0.771 ppm2=1.660 assign ( resid 75 and name HG2) ( resid 49 and name HB3) 4.6 0.9 0.9 volume=0.206 peak=647 ppm1=0.234 ppm2=1.658 assign ( resid 127 and name HA) ( resid 127 and name HG) 3.6 0.7 0.7 volume=0.905 peak=1396 ppm1=5.067 ppm2=1.755 assign ( resid 34 and name HA2) ( resid 35 and name HB2) 4.8 1.0 1.0 volume=0.144 peak=3256 ppm1=4.168 ppm2=2.156 assign ( resid 96 and name HA) ( resid 96 and name HD1*) 3.4 0.7 0.7 volume=1.115 peak=149 ppm1=3.875 ppm2=0.623 assign ( resid 125 and name HG2) ( resid 125 and name HB3) 3.5 0.7 0.7 volume=0.994 peak=788 ppm1=2.358 ppm2=1.935 assign ( resid 91 and name HB2) ( resid 90 and name HA) 3.6 0.7 0.7 volume=0.836 peak=2326 ppm1=1.649 ppm2=4.493 assign ( resid 9 and name HB3) ( resid 9 and name HA) 4.2 0.8 0.8 volume=0.325 peak=217 ppm1=2.575 ppm2=5.760 assign ( resid 125 and name HD2) ( resid 125 and name HG3) 4.5 0.9 0.9 volume=0.218 peak=33 ppm1=4.465 ppm2=2.164 assign ( resid 6 and name HB) ( resid 6 and name H) 3.7 0.7 0.7 volume=0.662 peak=887 ppm1=4.196 ppm2=7.726 assign ( resid 7 and name HB2) ( resid 7 and name HE*) 5.0 1.0 1.0 volume=0.118 peak=3208 ppm1=3.523 ppm2=6.327 assign ( resid 7 and name HB3) ( resid 7 and name HA) 4.2 0.8 0.8 volume=0.346 peak=363 ppm1=2.734 ppm2=5.105 assign ( resid 12 and name HB3) ( resid 12 and name HD2*) 3.8 0.8 0.8 volume=0.623 peak=1713 ppm1=0.958 ppm2=0.409 assign ( resid 24 and name HG2) ( resid 24 and name HB2) 2.5 0.5 0.5 volume=7.436 peak=2882 ppm1=1.408 ppm2=1.689 assign ( resid 24 and name HG3) ( resid 24 and name H) 3.8 0.8 0.8 volume=0.632 peak=507 ppm1=1.380 ppm2=7.606 assign ( resid 119 and name HB3) ( resid 119 and name HE*) 2.6 0.5 0.5 volume=5.401 peak=713 ppm1=1.987 ppm2=2.076 assign ( resid 24 and name HE3) ( resid 24 and name HG3) 3.1 0.6 0.6 volume=1.908 peak=2214 ppm1=2.992 ppm2=1.380 assign ( resid 44 and name HA) ( resid 43 and name H) 3.7 0.7 0.7 volume=0.713 peak=2098 ppm1=4.470 ppm2=9.201 assign ( resid 69 and name HB3) ( resid 69 and name HG2) 2.3 0.5 0.5 volume=11.392 peak=1801 ppm1=1.894 ppm2=1.893 assign ( resid 92 and name HB3) ( resid 93 and name HA3) 4.5 0.9 0.9 volume=0.213 peak=941 ppm1=2.321 ppm2=4.497 assign ( resid 88 and name HB3) ( resid 88 and name H) 4.1 0.8 0.8 volume=0.393 peak=1086 ppm1=3.335 ppm2=7.007 assign ( resid 33 and name HB3) ( resid 33 and name HA) 4.3 0.9 0.9 volume=0.298 peak=927 ppm1=4.554 ppm2=4.866 assign ( resid 108 and name HG2*) ( resid 108 and name HA) 3.2 0.6 0.6 volume=1.744 peak=1623 ppm1=0.781 ppm2=4.417 assign ( resid 68 and name HB2) ( resid 69 and name HA) 3.3 0.7 0.7 volume=1.503 peak=203 ppm1=3.447 ppm2=4.836 assign ( resid 21 and name HB2) ( resid 21 and name HG2) 2.9 0.6 0.6 volume=2.992 peak=1975 ppm1=1.520 ppm2=1.222 assign ( resid 24 and name HB3) ( resid 24 and name HG3) 3.0 0.6 0.6 volume=2.368 peak=1377 ppm1=1.772 ppm2=1.385 assign ( resid 17 and name HG3) ( resid 17 and name H) 4.8 1.0 1.0 volume=0.149 peak=1915 ppm1=1.791 ppm2=8.253 assign ( resid 22 and name HB3) ( resid 21 and name HA) 5.0 1.0 1.0 volume=0.123 peak=1559 ppm1=2.896 ppm2=4.545 assign ( resid 65 and name HB3) ( resid 65 and name HG2) 2.8 0.6 0.6 volume=3.627 peak=1812 ppm1=2.238 ppm2=2.003 assign ( resid 4 and name HB2) ( resid 5 and name H) 3.5 0.7 0.7 volume=0.955 peak=1917 ppm1=2.059 ppm2=8.429 assign ( resid 90 and name HD2) ( resid 90 and name HG2) 3.6 0.7 0.7 volume=0.778 peak=1188 ppm1=4.108 ppm2=1.964 assign ( resid 9 and name HB2) ( resid 9 and name HG3) 3.4 0.7 0.7 volume=1.153 peak=2761 ppm1=2.453 ppm2=2.678 assign ( resid 5 and name HB3) ( resid 6 and name H) 3.6 0.7 0.7 volume=0.798 peak=2816 ppm1=2.684 ppm2=7.726 assign ( resid 17 and name HE*) ( resid 17 and name HG2) 3.5 0.7 0.7 volume=0.984 peak=720 ppm1=1.482 ppm2=2.266 assign ( resid 127 and name HA) ( resid 128 and name H) 3.6 0.7 0.7 volume=0.903 peak=3413 ppm1=5.067 ppm2=9.118 assign ( resid 100 and name HD2) ( resid 100 and name HE) 4.0 0.8 0.8 volume=0.417 peak=442 ppm1=3.226 ppm2=7.195 assign ( resid 39 and name HG2) ( resid 39 and name HD3) 3.4 0.7 0.7 volume=1.140 peak=1942 ppm1=1.830 ppm2=3.410 assign ( resid 17 and name HB2) ( resid 17 and name HE*) 3.4 0.7 0.7 volume=1.243 peak=1904 ppm1=1.654 ppm2=1.481 assign ( resid 104 and name HA2) ( resid 105 and name HA) 3.7 0.7 0.7 volume=0.758 peak=1854 ppm1=3.229 ppm2=4.677 assign ( resid 69 and name HD2) ( resid 68 and name H) 4.6 0.9 0.9 volume=0.195 peak=2505 ppm1=3.742 ppm2=9.238 assign ( resid 21 and name HD2) ( resid 21 and name HA) 4.2 0.8 0.8 volume=0.313 peak=2728 ppm1=1.606 ppm2=4.545 assign ( resid 29 and name HG2*) ( resid 29 and name H) 3.5 0.7 0.7 volume=0.967 peak=1455 ppm1=0.561 ppm2=8.010 assign ( resid 72 and name HA) ( resid 72 and name H) 4.4 0.9 0.9 volume=0.258 peak=395 ppm1=4.481 ppm2=10.219 assign ( resid 9 and name HG2) ( resid 9 and name HA) 4.1 0.8 0.8 volume=0.375 peak=976 ppm1=2.561 ppm2=5.778 assign ( resid 70 and name HA) ( resid 70 and name HB) 3.3 0.7 0.7 volume=1.364 peak=2072 ppm1=4.725 ppm2=2.667 assign ( resid 10 and name HG2*) ( resid 11 and name H) 3.7 0.7 0.7 volume=0.677 peak=2574 ppm1=0.705 ppm2=8.608 assign ( resid 114 and name HB3) ( resid 114 and name HG3) 3.7 0.7 0.7 volume=0.720 peak=3214 ppm1=1.770 ppm2=1.319 assign ( resid 96 and name HD1*) ( resid 96 and name HB3) 2.9 0.6 0.6 volume=2.842 peak=590 ppm1=0.619 ppm2=1.122 assign ( resid 60 and name HB3) ( resid 60 and name HA) 3.7 0.7 0.7 volume=0.714 peak=1402 ppm1=3.041 ppm2=4.920 assign ( resid 64 and name HA) ( resid 64 and name HB) 3.4 0.7 0.7 volume=1.272 peak=353 ppm1=4.570 ppm2=4.319 assign ( resid 123 and name HA2) ( resid 124 and name HB) 4.7 0.9 0.9 volume=0.172 peak=3066 ppm1=4.329 ppm2=3.794 assign ( resid 57 and name HE2) ( resid 57 and name HG2) 2.8 0.6 0.6 volume=3.607 peak=2056 ppm1=2.776 ppm2=1.125 assign ( resid 47 and name HA) ( resid 48 and name HA) 4.7 0.9 0.9 volume=0.165 peak=771 ppm1=4.035 ppm2=4.901 assign ( resid 8 and name HG2*) ( resid 8 and name HD1*) 2.5 0.5 0.5 volume=7.120 peak=173 ppm1=0.880 ppm2=0.631 assign ( resid 56 and name HD1*) ( resid 56 and name H) 3.7 0.7 0.7 volume=0.735 peak=1672 ppm1=-0.684 ppm2=8.171 assign ( resid 74 and name HB3) ( resid 74 and name HG2) 4.2 0.8 0.8 volume=0.333 peak=491 ppm1=2.048 ppm2=2.482 assign ( resid 47 and name HB) ( resid 47 and name HA) 4.5 0.9 0.9 volume=0.208 peak=3150 ppm1=1.957 ppm2=4.035 assign ( resid 119 and name HB3) ( resid 119 and name H) 3.7 0.7 0.7 volume=0.694 peak=3179 ppm1=1.987 ppm2=7.349 assign ( resid 109 and name HB2) ( resid 112 and name H) 4.3 0.9 0.9 volume=0.273 peak=1751 ppm1=2.023 ppm2=6.706 assign ( resid 100 and name HG3) ( resid 101 and name H) 4.4 0.9 0.9 volume=0.261 peak=3029 ppm1=1.640 ppm2=7.182 assign ( resid 35 and name HE2) ( resid 35 and name HD3) 3.5 0.7 0.7 volume=1.049 peak=2999 ppm1=2.900 ppm2=1.341 assign ( resid 113 and name HG2) ( resid 113 and name HA) 4.6 0.9 0.9 volume=0.197 peak=2918 ppm1=2.153 ppm2=4.093 assign ( resid 118 and name HA3) ( resid 118 and name H) 3.6 0.7 0.7 volume=0.898 peak=653 ppm1=3.932 ppm2=7.186 assign ( resid 32 and name HG1*) ( resid 32 and name HB) 3.3 0.7 0.7 volume=1.463 peak=659 ppm1=1.006 ppm2=1.892 assign ( resid 46 and name HA) ( resid 47 and name HB) 4.3 0.9 0.9 volume=0.299 peak=1290 ppm1=5.175 ppm2=1.957 assign ( resid 20 and name HA) ( resid 20 and name H) 4.1 0.8 0.8 volume=0.370 peak=982 ppm1=4.450 ppm2=8.989 assign ( resid 2 and name HB2) ( resid 3 and name H) 4.6 0.9 0.9 volume=0.206 peak=2038 ppm1=3.146 ppm2=8.403 assign ( resid 13 and name HG2) ( resid 13 and name HB2) 2.7 0.5 0.5 volume=4.592 peak=1049 ppm1=2.275 ppm2=2.076 assign ( resid 71 and name HB3) ( resid 70 and name HA) 4.3 0.9 0.9 volume=0.278 peak=2457 ppm1=1.761 ppm2=4.726 assign ( resid 78 and name HA) ( resid 78 and name H) 3.8 0.8 0.8 volume=0.593 peak=255 ppm1=5.153 ppm2=8.532 assign ( resid 109 and name HA) ( resid 110 and name HG3) 4.5 0.9 0.9 volume=0.228 peak=691 ppm1=4.442 ppm2=1.814 assign ( resid 62 and name HA) ( resid 62 and name HB3) 3.0 0.6 0.6 volume=2.748 peak=83 ppm1=4.533 ppm2=2.629 assign ( resid 25 and name HA) ( resid 24 and name H) 3.7 0.7 0.7 volume=0.668 peak=431 ppm1=3.262 ppm2=7.626 assign ( resid 92 and name HB3) ( resid 92 and name HD*) 4.8 1.0 1.0 volume=0.147 peak=1617 ppm1=2.321 ppm2=6.762 assign ( resid 50 and name HD3) ( resid 50 and name HE3) 3.0 0.6 0.6 volume=2.637 peak=3387 ppm1=1.700 ppm2=3.024 assign ( resid 113 and name HE*) ( resid 116 and name HD1*) 4.1 0.8 0.8 volume=0.409 peak=1043 ppm1=2.087 ppm2=0.388 assign ( resid 122 and name HB2) ( resid 123 and name HA2) 4.4 0.9 0.9 volume=0.265 peak=2489 ppm1=1.692 ppm2=4.329 assign ( resid 26 and name HB*) ( resid 19 and name HB3) 4.0 0.8 0.8 volume=0.447 peak=2738 ppm1=1.259 ppm2=2.729 assign ( resid 110 and name HG3) ( resid 110 and name HD2) 3.7 0.7 0.7 volume=0.735 peak=1372 ppm1=1.814 ppm2=3.926 assign ( resid 114 and name HB2) ( resid 114 and name HG2) 3.8 0.8 0.8 volume=0.654 peak=1176 ppm1=1.744 ppm2=1.139 assign ( resid 60 and name HB2) ( resid 60 and name HA) 3.7 0.7 0.7 volume=0.718 peak=1974 ppm1=3.061 ppm2=4.920 assign ( resid 108 and name HA) ( resid 109 and name HG3) 4.2 0.8 0.8 volume=0.351 peak=2442 ppm1=4.417 ppm2=1.385 assign ( resid 74 and name HG3) ( resid 74 and name HG2) 3.6 0.7 0.7 volume=0.815 peak=1549 ppm1=2.294 ppm2=2.487 assign ( resid 100 and name HB2) ( resid 100 and name H) 4.1 0.8 0.8 volume=0.380 peak=1938 ppm1=2.296 ppm2=8.893 assign ( resid 44 and name HA) ( resid 43 and name HA2) 4.0 0.8 0.8 volume=0.465 peak=250 ppm1=4.470 ppm2=3.627 assign ( resid 35 and name HA) ( resid 36 and name HD3) 3.9 0.8 0.8 volume=0.518 peak=393 ppm1=5.119 ppm2=3.691 assign ( resid 122 and name HE2) ( resid 122 and name HD3) 3.1 0.6 0.6 volume=2.225 peak=2537 ppm1=3.048 ppm2=1.800 assign ( resid 114 and name HG2) ( resid 114 and name HB2) 2.9 0.6 0.6 volume=2.978 peak=2374 ppm1=1.135 ppm2=1.733 assign ( resid 114 and name HG3) ( resid 114 and name H) 4.5 0.9 0.9 volume=0.224 peak=3191 ppm1=1.317 ppm2=7.513 assign ( resid 22 and name HA) ( resid 21 and name HA) 3.9 0.8 0.8 volume=0.558 peak=1309 ppm1=4.173 ppm2=4.550 assign ( resid 126 and name HG1*) ( resid 126 and name H) 3.5 0.7 0.7 volume=0.999 peak=1947 ppm1=0.867 ppm2=8.527 assign ( resid 4 and name HA) ( resid 4 and name HB3) 3.1 0.6 0.6 volume=2.186 peak=734 ppm1=4.308 ppm2=1.842 assign ( resid 106 and name HB) ( resid 106 and name HD1*) 3.2 0.6 0.6 volume=1.866 peak=951 ppm1=1.721 ppm2=0.623 assign ( resid 122 and name HB3) ( resid 123 and name HA2) 4.3 0.9 0.9 volume=0.312 peak=2383 ppm1=1.698 ppm2=4.329 assign ( resid 47 and name HA) ( resid 46 and name HB3) 5.0 1.0 1.0 volume=0.114 peak=2759 ppm1=4.037 ppm2=2.432 assign ( resid 30 and name HA) ( resid 30 and name H) 4.4 0.9 0.9 volume=0.253 peak=2203 ppm1=5.336 ppm2=8.398 assign ( resid 35 and name HB2) ( resid 36 and name HD2) 4.3 0.9 0.9 volume=0.305 peak=2526 ppm1=2.152 ppm2=4.033 assign ( resid 110 and name HB2) ( resid 110 and name HD2) 3.7 0.7 0.7 volume=0.704 peak=1756 ppm1=2.128 ppm2=3.926 assign ( resid 121 and name HA) ( resid 122 and name HA) 4.2 0.8 0.8 volume=0.330 peak=1963 ppm1=4.413 ppm2=3.688 assign ( resid 85 and name HA) ( resid 85 and name H) 4.2 0.8 0.8 volume=0.325 peak=636 ppm1=5.151 ppm2=10.381 assign ( resid 43 and name HA2) ( resid 44 and name HA) 3.8 0.8 0.8 volume=0.657 peak=375 ppm1=3.627 ppm2=4.470 assign ( resid 116 and name HB2) ( resid 117 and name H) 4.5 0.9 0.9 volume=0.215 peak=1323 ppm1=1.226 ppm2=8.860 assign ( resid 80 and name HA2) ( resid 81 and name HA) 4.1 0.8 0.8 volume=0.405 peak=2234 ppm1=4.675 ppm2=4.291 assign ( resid 67 and name HB2) ( resid 67 and name HG2) 2.9 0.6 0.6 volume=3.395 peak=19 ppm1=1.697 ppm2=1.913 assign ( resid 63 and name HA2) ( resid 63 and name H) 3.4 0.7 0.7 volume=1.286 peak=1687 ppm1=3.620 ppm2=8.140 assign ( resid 58 and name HA3) ( resid 58 and name HA2) 3.0 0.6 0.6 volume=2.714 peak=1768 ppm1=3.363 ppm2=3.909 assign ( resid 29 and name HA) ( resid 28 and name H) 3.3 0.7 0.7 volume=1.536 peak=1085 ppm1=4.344 ppm2=8.446 assign ( resid 8 and name HB) ( resid 8 and name HD1*) 3.4 0.7 0.7 volume=1.140 peak=2991 ppm1=1.895 ppm2=0.631 assign ( resid 19 and name HA) ( resid 20 and name H) 3.8 0.8 0.8 volume=0.571 peak=331 ppm1=5.371 ppm2=8.989 assign ( resid 127 and name HB2) ( resid 127 and name HG) 2.9 0.6 0.6 volume=2.845 peak=2697 ppm1=1.878 ppm2=1.755 assign ( resid 114 and name HB3) ( resid 115 and name H) 3.8 0.8 0.8 volume=0.594 peak=1287 ppm1=1.770 ppm2=6.761 assign ( resid 22 and name HA) ( resid 23 and name HA3) 4.4 0.9 0.9 volume=0.260 peak=2684 ppm1=4.176 ppm2=3.771 assign ( resid 98 and name HG2) ( resid 98 and name HE2) 4.2 0.8 0.8 volume=0.354 peak=2108 ppm1=-0.171 ppm2=2.755 assign ( resid 127 and name HG) ( resid 128 and name H) 4.4 0.9 0.9 volume=0.243 peak=1618 ppm1=1.758 ppm2=9.130 assign ( resid 41 and name HB3) ( resid 41 and name HD2) 4.2 0.8 0.8 volume=0.358 peak=2206 ppm1=2.253 ppm2=3.624 assign ( resid 119 and name HB3) ( resid 119 and name HB2) 3.0 0.6 0.6 volume=2.591 peak=2224 ppm1=1.987 ppm2=2.139 assign ( resid 8 and name HG2*) ( resid 8 and name H) 4.0 0.8 0.8 volume=0.450 peak=1214 ppm1=0.880 ppm2=9.226 assign ( resid 21 and name HE3) ( resid 21 and name HD2) 2.6 0.5 0.5 volume=6.663 peak=15 ppm1=3.015 ppm2=1.606 assign ( resid 100 and name HB2) ( resid 100 and name HD3) 3.8 0.8 0.8 volume=0.604 peak=1120 ppm1=2.297 ppm2=3.117 assign ( resid 53 and name HA) ( resid 52 and name HA) 4.4 0.9 0.9 volume=0.239 peak=1059 ppm1=4.392 ppm2=4.933 assign ( resid 83 and name HG13) ( resid 83 and name H) 4.8 1.0 1.0 volume=0.144 peak=1873 ppm1=0.703 ppm2=8.297 assign ( resid 110 and name HG3) ( resid 110 and name HB2) 3.5 0.7 0.7 volume=1.010 peak=1454 ppm1=1.814 ppm2=2.128 assign ( resid 97 and name HA) ( resid 97 and name HB2) 4.0 0.8 0.8 volume=0.483 peak=58 ppm1=3.737 ppm2=3.195 assign ( resid 57 and name HB3) ( resid 57 and name HG3) 3.2 0.6 0.6 volume=1.797 peak=1589 ppm1=1.660 ppm2=1.144 assign ( resid 21 and name HG2) ( resid 21 and name HB2) 2.9 0.6 0.6 volume=3.206 peak=1765 ppm1=1.215 ppm2=1.520 assign ( resid 65 and name HG2) ( resid 65 and name HD2) 3.1 0.6 0.6 volume=2.232 peak=2677 ppm1=2.003 ppm2=3.894 assign ( resid 78 and name HA) ( resid 78 and name HE3) 4.4 0.9 0.9 volume=0.257 peak=1710 ppm1=5.151 ppm2=7.454 assign ( resid 93 and name HA2) ( resid 93 and name H) 4.2 0.8 0.8 volume=0.340 peak=849 ppm1=4.398 ppm2=7.990 assign ( resid 56 and name HG) ( resid 56 and name HB3) 3.7 0.7 0.7 volume=0.750 peak=2447 ppm1=0.986 ppm2=1.139 assign ( resid 17 and name HG3) ( resid 17 and name HB2) 3.2 0.6 0.6 volume=1.617 peak=631 ppm1=1.791 ppm2=1.654 assign ( resid 4 and name HA) ( resid 3 and name H) 2.9 0.6 0.6 volume=2.815 peak=3480 ppm1=4.308 ppm2=8.391 assign ( resid 99 and name HG2*) ( resid 100 and name H) 3.9 0.8 0.8 volume=0.493 peak=2188 ppm1=1.081 ppm2=8.885 assign ( resid 21 and name HB3) ( resid 21 and name HD2) 3.6 0.7 0.7 volume=0.890 peak=356 ppm1=1.105 ppm2=1.606 assign ( resid 110 and name HA) ( resid 110 and name HG2) 3.6 0.7 0.7 volume=0.865 peak=1505 ppm1=3.981 ppm2=2.366 assign ( resid 39 and name HG2) ( resid 39 and name HB2) 3.0 0.6 0.6 volume=2.701 peak=2402 ppm1=1.831 ppm2=2.027 assign ( resid 73 and name HB3) ( resid 73 and name HZ2) 5.0 1.0 1.0 volume=0.122 peak=721 ppm1=2.815 ppm2=7.234 assign ( resid 116 and name HA) ( resid 117 and name HA) 5.3 1.1 1.1 volume=0.085 peak=2126 ppm1=3.575 ppm2=3.769 assign ( resid 35 and name HA) ( resid 36 and name HD2) 4.0 0.8 0.8 volume=0.482 peak=3471 ppm1=5.117 ppm2=4.028 assign ( resid 42 and name HB*) ( resid 128 and name HB) 3.7 0.7 0.7 volume=0.694 peak=244 ppm1=1.422 ppm2=2.460 assign ( resid 91 and name HG3) ( resid 92 and name H) 4.0 0.8 0.8 volume=0.436 peak=426 ppm1=2.135 ppm2=8.633 assign ( resid 21 and name HD2) ( resid 22 and name H) 4.6 0.9 0.9 volume=0.186 peak=610 ppm1=1.604 ppm2=8.650 assign ( resid 67 and name HG2) ( resid 67 and name HB3) 3.0 0.6 0.6 volume=2.766 peak=2016 ppm1=1.914 ppm2=1.669 assign ( resid 116 and name HB3) ( resid 116 and name HB2) 3.7 0.7 0.7 volume=0.696 peak=2066 ppm1=1.774 ppm2=1.230 assign ( resid 85 and name HB2) ( resid 86 and name H) 4.8 1.0 1.0 volume=0.151 peak=1237 ppm1=2.710 ppm2=8.083 assign ( resid 67 and name HG3) ( resid 68 and name H) 4.5 0.9 0.9 volume=0.223 peak=2251 ppm1=1.995 ppm2=9.244 assign ( resid 21 and name HG3) ( resid 22 and name H) 4.1 0.8 0.8 volume=0.390 peak=1984 ppm1=1.204 ppm2=8.654 assign ( resid 20 and name HA) ( resid 20 and name HB3) 3.6 0.7 0.7 volume=0.779 peak=3211 ppm1=4.450 ppm2=1.867 assign ( resid 8 and name HA) ( resid 8 and name H) 4.5 0.9 0.9 volume=0.236 peak=501 ppm1=5.314 ppm2=9.217 assign ( resid 115 and name HA) ( resid 116 and name HB2) 4.3 0.9 0.9 volume=0.302 peak=3064 ppm1=3.953 ppm2=1.228 assign ( resid 62 and name HA) ( resid 63 and name HA3) 4.2 0.8 0.8 volume=0.354 peak=868 ppm1=4.529 ppm2=4.381 assign ( resid 109 and name HB2) ( resid 109 and name HB3) 3.4 0.7 0.7 volume=1.268 peak=100 ppm1=2.014 ppm2=1.338 assign ( resid 57 and name HD2) ( resid 57 and name HG2) 2.8 0.6 0.6 volume=3.836 peak=774 ppm1=1.506 ppm2=1.133 assign ( resid 54 and name HA) ( resid 53 and name H) 3.4 0.7 0.7 volume=1.094 peak=1303 ppm1=4.499 ppm2=8.327 assign ( resid 28 and name HG2) ( resid 28 and name HA) 3.8 0.8 0.8 volume=0.578 peak=1328 ppm1=2.027 ppm2=4.983 assign ( resid 122 and name HE3) ( resid 122 and name HB2) 3.5 0.7 0.7 volume=0.975 peak=2407 ppm1=3.129 ppm2=1.692 assign ( resid 38 and name HB) ( resid 37 and name HA) 3.6 0.7 0.7 volume=0.877 peak=1517 ppm1=4.343 ppm2=4.266 assign ( resid 83 and name HA) ( resid 82 and name HA2) 4.0 0.8 0.8 volume=0.459 peak=3453 ppm1=4.647 ppm2=4.033 assign ( resid 108 and name HA) ( resid 108 and name HB) 4.4 0.9 0.9 volume=0.262 peak=318 ppm1=4.417 ppm2=3.416 assign ( resid 75 and name HG2) ( resid 75 and name HG3) 4.5 0.9 0.9 volume=0.208 peak=700 ppm1=0.239 ppm2=0.765 assign ( resid 89 and name HB2) ( resid 89 and name HA) 4.4 0.9 0.9 volume=0.250 peak=2842 ppm1=1.170 ppm2=5.203 assign ( resid 41 and name HA) ( resid 40 and name HA) 3.7 0.7 0.7 volume=0.728 peak=797 ppm1=4.305 ppm2=4.466 assign ( resid 71 and name HA) ( resid 70 and name HA) 3.6 0.7 0.7 volume=0.828 peak=3133 ppm1=4.311 ppm2=4.726 assign ( resid 56 and name HB2) ( resid 56 and name HD2*) 3.7 0.7 0.7 volume=0.716 peak=778 ppm1=1.395 ppm2=-0.093 assign ( resid 109 and name HA) ( resid 110 and name HA) 3.8 0.8 0.8 volume=0.589 peak=3047 ppm1=4.442 ppm2=3.981 assign ( resid 100 and name HD2) ( resid 100 and name HG3) 3.3 0.7 0.7 volume=1.549 peak=2651 ppm1=3.226 ppm2=1.640 assign ( resid 128 and name HG1*) ( resid 45 and name HE*) 3.3 0.7 0.7 volume=1.514 peak=2753 ppm1=0.814 ppm2=7.158 assign ( resid 20 and name HB3) ( resid 20 and name H) 4.5 0.9 0.9 volume=0.211 peak=1245 ppm1=1.867 ppm2=8.995 assign ( resid 55 and name HG2*) ( resid 56 and name H) 3.3 0.7 0.7 volume=1.328 peak=1865 ppm1=0.808 ppm2=8.171 assign ( resid 14 and name HB2) ( resid 15 and name H) 4.5 0.9 0.9 volume=0.216 peak=3043 ppm1=2.865 ppm2=8.060 assign ( resid 91 and name HB3) ( resid 92 and name H) 3.6 0.7 0.7 volume=0.891 peak=2655 ppm1=1.962 ppm2=8.622 assign ( resid 26 and name HB*) ( resid 25 and name HA) 3.6 0.7 0.7 volume=0.790 peak=2003 ppm1=1.255 ppm2=3.265 assign ( resid 48 and name HB3) ( resid 49 and name H) 4.8 1.0 1.0 volume=0.149 peak=1348 ppm1=3.515 ppm2=7.246 assign ( resid 3 and name HB2) ( resid 3 and name HE*) 2.7 0.5 0.5 volume=4.459 peak=1481 ppm1=1.724 ppm2=1.928 assign ( resid 114 and name HB2) ( resid 115 and name HA) 4.4 0.9 0.9 volume=0.256 peak=2659 ppm1=1.744 ppm2=3.953 assign ( resid 70 and name HG2*) ( resid 56 and name H) 4.5 0.9 0.9 volume=0.236 peak=745 ppm1=0.512 ppm2=8.172 assign ( resid 102 and name HA) ( resid 102 and name HB2) 3.8 0.8 0.8 volume=0.575 peak=3251 ppm1=4.634 ppm2=4.957 assign ( resid 77 and name HA) ( resid 76 and name HA) 5.6 1.1 1.1 volume=0.061 peak=936 ppm1=4.686 ppm2=5.598 assign ( resid 122 and name HB3) ( resid 121 and name HA) 3.8 0.8 0.8 volume=0.658 peak=488 ppm1=1.698 ppm2=4.413 assign ( resid 89 and name HA) ( resid 90 and name HB2) 3.7 0.7 0.7 volume=0.736 peak=1634 ppm1=5.206 ppm2=2.003 assign ( resid 12 and name HB2) ( resid 12 and name HA) 4.0 0.8 0.8 volume=0.441 peak=1065 ppm1=1.807 ppm2=3.717 assign ( resid 20 and name HA) ( resid 21 and name HB2) 4.0 0.8 0.8 volume=0.449 peak=1827 ppm1=4.451 ppm2=1.528 assign ( resid 113 and name HG3) ( resid 113 and name HB2) 3.9 0.8 0.8 volume=0.553 peak=676 ppm1=3.546 ppm2=2.173 assign ( resid 91 and name HB3) ( resid 91 and name HB2) 2.8 0.6 0.6 volume=3.739 peak=205 ppm1=1.960 ppm2=1.644 assign ( resid 105 and name HB2) ( resid 56 and name HD2*) 5.3 1.1 1.1 volume=0.081 peak=387 ppm1=2.931 ppm2=-0.088 assign ( resid 80 and name HA2) ( resid 79 and name HB) 6.4 1.3 1.3 volume=0.026 peak=1763 ppm1=4.675 ppm2=4.457 assign ( resid 62 and name HB2) ( resid 63 and name HA3) 4.6 0.9 0.9 volume=0.198 peak=752 ppm1=3.101 ppm2=4.366 assign ( resid 111 and name HB3) ( resid 111 and name HA) 2.8 0.6 0.6 volume=3.784 peak=642 ppm1=4.116 ppm2=3.897 assign ( resid 84 and name HA) ( resid 85 and name HB2) 4.4 0.9 0.9 volume=0.240 peak=2571 ppm1=5.653 ppm2=2.710 assign ( resid 80 and name HA3) ( resid 81 and name H) 4.2 0.8 0.8 volume=0.322 peak=3491 ppm1=3.836 ppm2=8.679 assign ( resid 127 and name HG) ( resid 127 and name HB2) 2.8 0.6 0.6 volume=3.845 peak=1650 ppm1=1.755 ppm2=1.878 assign ( resid 2 and name HA) ( resid 2 and name HE1) 4.3 0.9 0.9 volume=0.298 peak=2901 ppm1=4.636 ppm2=8.185 assign ( resid 112 and name HA) ( resid 112 and name H) 3.6 0.7 0.7 volume=0.889 peak=531 ppm1=3.834 ppm2=6.713 assign ( resid 41 and name HA) ( resid 42 and name HB*) 3.5 0.7 0.7 volume=0.954 peak=151 ppm1=4.305 ppm2=1.421 assign ( resid 91 and name HG3) ( resid 91 and name HA) 3.5 0.7 0.7 volume=0.969 peak=1727 ppm1=2.136 ppm2=4.539 assign ( resid 39 and name HD2) ( resid 39 and name HB3) 3.4 0.7 0.7 volume=1.151 peak=1292 ppm1=3.424 ppm2=1.830 assign ( resid 51 and name HG2) ( resid 51 and name H) 4.6 0.9 0.9 volume=0.187 peak=2838 ppm1=2.215 ppm2=9.527 assign ( resid 75 and name HD2) ( resid 75 and name HB2) 4.4 0.9 0.9 volume=0.243 peak=3492 ppm1=3.149 ppm2=1.570 assign ( resid 55 and name HA) ( resid 56 and name HD2*) 4.5 0.9 0.9 volume=0.226 peak=1926 ppm1=4.355 ppm2=-0.093 assign ( resid 114 and name HG3) ( resid 114 and name HA) 3.9 0.8 0.8 volume=0.490 peak=1115 ppm1=1.315 ppm2=2.808 assign ( resid 27 and name HB2) ( resid 27 and name HA) 3.6 0.7 0.7 volume=0.879 peak=673 ppm1=1.386 ppm2=4.487 assign ( resid 8 and name HD1*) ( resid 8 and name HG2*) 2.4 0.5 0.5 volume=10.340 peak=2986 ppm1=0.633 ppm2=0.880 assign ( resid 50 and name HD3) ( resid 50 and name H) 4.0 0.8 0.8 volume=0.422 peak=890 ppm1=1.702 ppm2=7.518 assign ( resid 96 and name HB2) ( resid 96 and name HD1*) 3.6 0.7 0.7 volume=0.781 peak=131 ppm1=2.101 ppm2=0.633 assign ( resid 48 and name HB2) ( resid 48 and name HD1) 4.5 0.9 0.9 volume=0.214 peak=2797 ppm1=2.790 ppm2=6.477 assign ( resid 115 and name HA) ( resid 115 and name HG3) 3.4 0.7 0.7 volume=1.180 peak=3231 ppm1=3.953 ppm2=2.191 assign ( resid 97 and name HA) ( resid 98 and name H) 5.2 1.0 1.0 volume=0.096 peak=2411 ppm1=3.739 ppm2=6.522 assign ( resid 76 and name HG2*) ( resid 75 and name HB3) 3.6 0.7 0.7 volume=0.905 peak=3367 ppm1=0.612 ppm2=1.669 assign ( resid 57 and name HB2) ( resid 57 and name HD3) 2.9 0.6 0.6 volume=3.278 peak=1498 ppm1=1.456 ppm2=1.518 assign ( resid 15 and name HB2) ( resid 15 and name H) 4.5 0.9 0.9 volume=0.211 peak=959 ppm1=2.243 ppm2=8.047 assign ( resid 36 and name HD3) ( resid 35 and name HB2) 4.2 0.8 0.8 volume=0.340 peak=1916 ppm1=3.712 ppm2=2.161 assign ( resid 45 and name HB2) ( resid 45 and name HA) 4.6 0.9 0.9 volume=0.195 peak=2421 ppm1=3.982 ppm2=5.057 assign ( resid 98 and name HD3) ( resid 98 and name HA) 4.6 0.9 0.9 volume=0.194 peak=1883 ppm1=1.268 ppm2=3.084 assign ( resid 120 and name HG2*) ( resid 120 and name HA) 3.2 0.6 0.6 volume=1.642 peak=3105 ppm1=0.583 ppm2=3.672 assign ( resid 2 and name HA) ( resid 3 and name HA) 5.4 1.1 1.1 volume=0.074 peak=3272 ppm1=4.636 ppm2=4.345 assign ( resid 10 and name HB) ( resid 10 and name HA) 4.6 0.9 0.9 volume=0.203 peak=1034 ppm1=2.140 ppm2=4.530 assign ( resid 99 and name HB) ( resid 100 and name H) 4.5 0.9 0.9 volume=0.228 peak=640 ppm1=4.165 ppm2=8.885 assign ( resid 9 and name HA) ( resid 9 and name HG2) 3.6 0.7 0.7 volume=0.875 peak=2040 ppm1=5.772 ppm2=2.571 assign ( resid 86 and name HA) ( resid 87 and name H) 3.8 0.8 0.8 volume=0.645 peak=2837 ppm1=3.622 ppm2=9.736 assign ( resid 52 and name HB2) ( resid 51 and name HA) 4.3 0.9 0.9 volume=0.309 peak=1759 ppm1=1.793 ppm2=4.937 assign ( resid 12 and name HG) ( resid 12 and name HD2*) 3.8 0.8 0.8 volume=0.609 peak=1518 ppm1=1.457 ppm2=0.432 assign ( resid 115 and name HA) ( resid 114 and name HA) 4.8 1.0 1.0 volume=0.153 peak=479 ppm1=3.953 ppm2=2.797 assign ( resid 89 and name HA) ( resid 90 and name HD3) 3.5 0.7 0.7 volume=1.000 peak=1040 ppm1=5.205 ppm2=3.984 assign ( resid 41 and name HG3) ( resid 41 and name HD3) 3.6 0.7 0.7 volume=0.809 peak=2319 ppm1=1.974 ppm2=3.791 assign ( resid 24 and name HG3) ( resid 25 and name H) 4.1 0.8 0.8 volume=0.367 peak=116 ppm1=1.380 ppm2=8.700 assign ( resid 113 and name HA) ( resid 113 and name HB2) 3.7 0.7 0.7 volume=0.740 peak=2751 ppm1=4.093 ppm2=2.173 assign ( resid 111 and name HA) ( resid 112 and name HA) 2.4 0.5 0.5 volume=9.445 peak=1475 ppm1=3.889 ppm2=3.834 assign ( resid 74 and name HG3) ( resid 74 and name HA) 3.8 0.8 0.8 volume=0.621 peak=1453 ppm1=2.295 ppm2=4.905 assign ( resid 52 and name HG3) ( resid 52 and name HB2) 3.4 0.7 0.7 volume=1.275 peak=2802 ppm1=2.031 ppm2=1.793 assign ( resid 13 and name HA) ( resid 12 and name H) 4.8 1.0 1.0 volume=0.146 peak=3465 ppm1=3.997 ppm2=9.572 assign ( resid 113 and name HA) ( resid 113 and name H) 3.8 0.8 0.8 volume=0.567 peak=86 ppm1=4.093 ppm2=8.602 assign ( resid 46 and name HA) ( resid 45 and name HB3) 3.9 0.8 0.8 volume=0.499 peak=1740 ppm1=5.175 ppm2=2.431 assign ( resid 12 and name HD2*) ( resid 12 and name H) 3.7 0.7 0.7 volume=0.666 peak=419 ppm1=0.410 ppm2=9.566 assign ( resid 38 and name HA) ( resid 38 and name HB) 3.4 0.7 0.7 volume=1.176 peak=1232 ppm1=4.589 ppm2=4.346 assign ( resid 110 and name HD2) ( resid 110 and name HG3) 4.3 0.9 0.9 volume=0.311 peak=2745 ppm1=3.926 ppm2=1.814 assign ( resid 113 and name HA) ( resid 113 and name HE*) 3.8 0.8 0.8 volume=0.626 peak=874 ppm1=4.093 ppm2=2.084 assign ( resid 57 and name HG3) ( resid 57 and name HB3) 3.0 0.6 0.6 volume=2.285 peak=2785 ppm1=1.153 ppm2=1.663 assign ( resid 45 and name HB2) ( resid 45 and name HD*) 4.3 0.9 0.9 volume=0.303 peak=489 ppm1=3.982 ppm2=7.135 assign ( resid 21 and name HB2) ( resid 21 and name HD2) 3.3 0.7 0.7 volume=1.419 peak=141 ppm1=1.520 ppm2=1.606 assign ( resid 126 and name HA) ( resid 126 and name HG2*) 3.7 0.7 0.7 volume=0.757 peak=258 ppm1=4.938 ppm2=0.691 assign ( resid 35 and name HD2) ( resid 35 and name HB2) 4.3 0.9 0.9 volume=0.308 peak=820 ppm1=1.599 ppm2=2.161 assign ( resid 27 and name HG) ( resid 27 and name HB2) 3.2 0.6 0.6 volume=1.773 peak=3402 ppm1=1.532 ppm2=1.407 assign ( resid 122 and name HB2) ( resid 123 and name H) 4.0 0.8 0.8 volume=0.426 peak=672 ppm1=1.692 ppm2=9.557 assign ( resid 46 and name HB2) ( resid 46 and name HD*) 4.3 0.9 0.9 volume=0.274 peak=455 ppm1=2.776 ppm2=6.931 assign ( resid 69 and name HD2) ( resid 69 and name HG3) 3.3 0.7 0.7 volume=1.408 peak=847 ppm1=3.745 ppm2=2.165 assign ( resid 96 and name HA) ( resid 95 and name H) 4.8 1.0 1.0 volume=0.142 peak=368 ppm1=3.872 ppm2=8.534 assign ( resid 114 and name HD3) ( resid 114 and name H) 4.1 0.8 0.8 volume=0.402 peak=2605 ppm1=1.712 ppm2=7.511 assign ( resid 88 and name HB2) ( resid 88 and name H) 4.0 0.8 0.8 volume=0.459 peak=2859 ppm1=3.480 ppm2=7.000 assign ( resid 9 and name HG3) ( resid 9 and name HG2) 2.9 0.6 0.6 volume=3.227 peak=3004 ppm1=2.679 ppm2=2.560 assign ( resid 34 and name HA3) ( resid 35 and name H) 4.5 0.9 0.9 volume=0.231 peak=2514 ppm1=3.737 ppm2=8.339 assign ( resid 110 and name HD3) ( resid 110 and name HG2) 3.9 0.8 0.8 volume=0.509 peak=848 ppm1=3.832 ppm2=2.366 assign ( resid 81 and name HB) ( resid 82 and name H) 4.9 1.0 1.0 volume=0.126 peak=791 ppm1=1.760 ppm2=7.708 assign ( resid 113 and name HA) ( resid 114 and name H) 4.5 0.9 0.9 volume=0.232 peak=1238 ppm1=4.091 ppm2=7.514 assign ( resid 39 and name HB2) ( resid 40 and name H) 4.6 0.9 0.9 volume=0.207 peak=412 ppm1=2.027 ppm2=8.707 assign ( resid 100 and name HB3) ( resid 100 and name HG2) 3.2 0.6 0.6 volume=1.644 peak=2834 ppm1=1.487 ppm2=1.667 assign ( resid 56 and name HA) ( resid 57 and name HB2) 3.6 0.7 0.7 volume=0.872 peak=155 ppm1=4.017 ppm2=1.456 assign ( resid 96 and name HD2*) ( resid 96 and name HA) 2.8 0.6 0.6 volume=3.648 peak=2119 ppm1=0.727 ppm2=3.869 assign ( resid 15 and name HA) ( resid 14 and name HB3) 4.2 0.8 0.8 volume=0.348 peak=321 ppm1=3.385 ppm2=2.262 assign ( resid 8 and name HD1*) ( resid 19 and name HD*) 4.2 0.8 0.8 volume=0.326 peak=586 ppm1=0.633 ppm2=6.866 assign ( resid 128 and name HA) ( resid 129 and name H) 3.5 0.7 0.7 volume=0.959 peak=3396 ppm1=5.053 ppm2=8.851 assign ( resid 64 and name HB) ( resid 63 and name HA2) 4.0 0.8 0.8 volume=0.431 peak=3342 ppm1=4.335 ppm2=3.616 assign ( resid 117 and name HB3) ( resid 117 and name HD*) 4.0 0.8 0.8 volume=0.420 peak=2783 ppm1=2.568 ppm2=6.956 assign ( resid 76 and name HD1*) ( resid 45 and name HA) 4.4 0.9 0.9 volume=0.247 peak=2716 ppm1=0.152 ppm2=5.068 assign ( resid 13 and name HB3) ( resid 13 and name HG3) 3.0 0.6 0.6 volume=2.626 peak=95 ppm1=2.211 ppm2=2.351 assign ( resid 24 and name HG3) ( resid 24 and name HB2) 2.6 0.5 0.5 volume=5.417 peak=974 ppm1=1.380 ppm2=1.689 assign ( resid 21 and name HD3) ( resid 21 and name HB3) 3.6 0.7 0.7 volume=0.883 peak=3449 ppm1=1.758 ppm2=1.105 assign ( resid 98 and name HB2) ( resid 98 and name HD2) 3.6 0.7 0.7 volume=0.898 peak=2548 ppm1=1.412 ppm2=1.261 assign ( resid 60 and name HB2) ( resid 61 and name HA) 4.4 0.9 0.9 volume=0.246 peak=2378 ppm1=3.061 ppm2=4.379 assign ( resid 96 and name HB3) ( resid 96 and name HD1*) 3.6 0.7 0.7 volume=0.910 peak=1965 ppm1=1.127 ppm2=0.641 assign ( resid 87 and name HA) ( resid 87 and name H) 3.9 0.8 0.8 volume=0.526 peak=2962 ppm1=4.208 ppm2=9.736 assign ( resid 9 and name HA) ( resid 9 and name HB3) 3.5 0.7 0.7 volume=0.931 peak=1596 ppm1=5.773 ppm2=2.575 assign ( resid 35 and name HB2) ( resid 36 and name HD3) 4.1 0.8 0.8 volume=0.383 peak=985 ppm1=2.157 ppm2=3.723 assign ( resid 35 and name HD2) ( resid 35 and name HA) 4.9 1.0 1.0 volume=0.133 peak=3134 ppm1=1.599 ppm2=5.117 assign ( resid 28 and name HB2) ( resid 29 and name HA) 4.0 0.8 0.8 volume=0.431 peak=1671 ppm1=1.930 ppm2=4.344 assign ( resid 122 and name HA) ( resid 123 and name H) 3.5 0.7 0.7 volume=0.994 peak=821 ppm1=3.689 ppm2=9.550 assign ( resid 56 and name HB3) ( resid 56 and name HA) 3.8 0.8 0.8 volume=0.651 peak=2811 ppm1=1.155 ppm2=4.011 assign ( resid 74 and name HE*) ( resid 120 and name HG1*) 2.8 0.6 0.6 volume=3.483 peak=2340 ppm1=1.642 ppm2=0.159 assign ( resid 17 and name HG2) ( resid 17 and name H) 4.8 1.0 1.0 volume=0.146 peak=3115 ppm1=2.262 ppm2=8.253 assign ( resid 105 and name HB3) ( resid 56 and name HD2*) 5.3 1.1 1.1 volume=0.088 peak=2877 ppm1=3.501 ppm2=-0.099 assign ( resid 48 and name HA) ( resid 48 and name HD1) 4.3 0.9 0.9 volume=0.310 peak=2440 ppm1=4.905 ppm2=6.477 assign ( resid 118 and name HA2) ( resid 118 and name H) 3.6 0.7 0.7 volume=0.819 peak=2237 ppm1=3.811 ppm2=7.186 assign ( resid 26 and name HB*) ( resid 26 and name H) 3.0 0.6 0.6 volume=2.431 peak=2603 ppm1=1.258 ppm2=9.292 assign ( resid 82 and name HA2) ( resid 83 and name H) 4.9 1.0 1.0 volume=0.128 peak=333 ppm1=4.033 ppm2=8.297 assign ( resid 12 and name HA) ( resid 12 and name HB2) 3.9 0.8 0.8 volume=0.542 peak=1719 ppm1=3.700 ppm2=1.807 assign ( resid 126 and name HB) ( resid 127 and name HA) 4.5 0.9 0.9 volume=0.215 peak=396 ppm1=1.798 ppm2=5.067 assign ( resid 81 and name HB) ( resid 80 and name HA3) 3.8 0.8 0.8 volume=0.588 peak=3265 ppm1=1.760 ppm2=3.840 assign ( resid 3 and name HB3) ( resid 4 and name HA) 3.4 0.7 0.7 volume=1.095 peak=2351 ppm1=1.911 ppm2=4.306 assign ( resid 11 and name HA) ( resid 12 and name HB2) 4.9 1.0 1.0 volume=0.139 peak=1016 ppm1=4.264 ppm2=1.807 assign ( resid 65 and name HD3) ( resid 64 and name HB) 3.6 0.7 0.7 volume=0.800 peak=966 ppm1=3.707 ppm2=4.319 assign ( resid 33 and name HB2) ( resid 34 and name H) 4.4 0.9 0.9 volume=0.246 peak=1221 ppm1=3.054 ppm2=8.168 assign ( resid 73 and name HB2) ( resid 73 and name HD1) 4.8 1.0 1.0 volume=0.143 peak=1094 ppm1=3.036 ppm2=7.076 assign ( resid 106 and name HG12) ( resid 106 and name HD1*) 2.9 0.6 0.6 volume=2.892 peak=84 ppm1=1.339 ppm2=0.623 assign ( resid 70 and name HG2*) ( resid 84 and name HB2) 3.8 0.8 0.8 volume=0.613 peak=3167 ppm1=0.512 ppm2=3.715 assign ( resid 22 and name HB2) ( resid 23 and name H) 5.0 1.0 1.0 volume=0.112 peak=3225 ppm1=2.681 ppm2=8.850 assign ( resid 31 and name HG2*) ( resid 31 and name H) 4.3 0.9 0.9 volume=0.311 peak=3277 ppm1=0.612 ppm2=7.631 assign ( resid 98 and name HB3) ( resid 98 and name H) 4.0 0.8 0.8 volume=0.458 peak=1895 ppm1=1.436 ppm2=6.522 assign ( resid 56 and name HD1*) ( resid 56 and name HB3) 3.3 0.7 0.7 volume=1.514 peak=7 ppm1=-0.684 ppm2=1.155 assign ( resid 50 and name HB3) ( resid 50 and name HG3) 4.0 0.8 0.8 volume=0.455 peak=3513 ppm1=1.315 ppm2=1.072 assign ( resid 89 and name HA) ( resid 90 and name HG3) 3.9 0.8 0.8 volume=0.554 peak=2420 ppm1=5.206 ppm2=2.077 assign ( resid 56 and name HD1*) ( resid 57 and name H) 3.3 0.7 0.7 volume=1.538 peak=2202 ppm1=-0.691 ppm2=8.080 assign ( resid 65 and name HD3) ( resid 65 and name HG3) 3.1 0.6 0.6 volume=2.059 peak=711 ppm1=3.703 ppm2=2.019 assign ( resid 3 and name HB2) ( resid 2 and name HA) 4.9 1.0 1.0 volume=0.139 peak=3458 ppm1=1.722 ppm2=4.636 assign ( resid 22 and name HA) ( resid 22 and name HB2) 3.1 0.6 0.6 volume=1.963 peak=3189 ppm1=4.177 ppm2=2.680 assign ( resid 15 and name HG2) ( resid 15 and name HB3) 4.3 0.9 0.9 volume=0.287 peak=3450 ppm1=2.092 ppm2=2.533 assign ( resid 79 and name HB) ( resid 79 and name H) 4.6 0.9 0.9 volume=0.203 peak=680 ppm1=4.456 ppm2=8.511 assign ( resid 92 and name HB2) ( resid 93 and name HA3) 4.4 0.9 0.9 volume=0.241 peak=2702 ppm1=2.563 ppm2=4.497 assign ( resid 100 and name HG2) ( resid 100 and name HB2) 3.2 0.6 0.6 volume=1.791 peak=828 ppm1=1.667 ppm2=2.298 assign ( resid 70 and name HG2*) ( resid 70 and name H) 3.2 0.6 0.6 volume=1.611 peak=160 ppm1=0.514 ppm2=8.629 assign ( resid 58 and name HA2) ( resid 58 and name H) 3.7 0.7 0.7 volume=0.738 peak=2395 ppm1=3.909 ppm2=6.612 assign ( resid 103 and name HB2) ( resid 103 and name HD2) 4.8 1.0 1.0 volume=0.153 peak=3095 ppm1=3.688 ppm2=7.235 assign ( resid 100 and name HG2) ( resid 100 and name HE) 4.1 0.8 0.8 volume=0.361 peak=1582 ppm1=1.667 ppm2=7.195 assign ( resid 27 and name HB3) ( resid 27 and name HA) 3.4 0.7 0.7 volume=1.169 peak=2756 ppm1=1.787 ppm2=4.487 assign ( resid 28 and name HG3) ( resid 28 and name HB3) 3.5 0.7 0.7 volume=1.020 peak=1527 ppm1=1.933 ppm2=1.530 assign ( resid 56 and name HD2*) ( resid 84 and name HD2) 4.0 0.8 0.8 volume=0.420 peak=147 ppm1=-0.092 ppm2=6.920 assign ( resid 27 and name HB3) ( resid 27 and name H) 4.0 0.8 0.8 volume=0.437 peak=148 ppm1=1.787 ppm2=7.634 assign ( resid 114 and name HB3) ( resid 114 and name HE2) 4.4 0.9 0.9 volume=0.264 peak=2509 ppm1=1.770 ppm2=2.987 assign ( resid 67 and name HG2) ( resid 67 and name HB2) 3.0 0.6 0.6 volume=2.766 peak=1694 ppm1=1.914 ppm2=1.702 assign ( resid 36 and name HD3) ( resid 36 and name HA) 3.8 0.8 0.8 volume=0.615 peak=275 ppm1=3.712 ppm2=4.379 assign ( resid 114 and name HE2) ( resid 114 and name HB2) 2.5 0.5 0.5 volume=7.332 peak=1681 ppm1=2.987 ppm2=1.744 assign ( resid 39 and name HB2) ( resid 39 and name HD3) 3.9 0.8 0.8 volume=0.506 peak=3100 ppm1=2.027 ppm2=3.399 assign ( resid 103 and name HB3) ( resid 103 and name HD2) 5.4 1.1 1.1 volume=0.072 peak=2082 ppm1=3.379 ppm2=7.237 assign ( resid 109 and name HB3) ( resid 110 and name HD3) 4.4 0.9 0.9 volume=0.241 peak=709 ppm1=1.330 ppm2=3.832 assign ( resid 36 and name HB2) ( resid 36 and name HA) 3.6 0.7 0.7 volume=0.809 peak=499 ppm1=2.515 ppm2=4.377 assign ( resid 30 and name HB2) ( resid 30 and name HA) 4.8 1.0 1.0 volume=0.150 peak=2964 ppm1=2.582 ppm2=5.348 assign ( resid 57 and name HB3) ( resid 58 and name H) 3.9 0.8 0.8 volume=0.527 peak=1536 ppm1=1.664 ppm2=6.612 assign ( resid 125 and name HB3) ( resid 126 and name HA) 3.9 0.8 0.8 volume=0.489 peak=658 ppm1=1.935 ppm2=4.938 assign ( resid 67 and name HA) ( resid 68 and name H) 3.1 0.6 0.6 volume=1.989 peak=724 ppm1=4.973 ppm2=9.243 assign ( resid 39 and name HG2) ( resid 38 and name HA) 4.6 0.9 0.9 volume=0.191 peak=2775 ppm1=1.832 ppm2=4.577 assign ( resid 35 and name HG3) ( resid 35 and name HE3) 4.3 0.9 0.9 volume=0.302 peak=1020 ppm1=1.598 ppm2=2.836 assign ( resid 18 and name HB2) ( resid 18 and name H) 4.5 0.9 0.9 volume=0.232 peak=3489 ppm1=2.672 ppm2=9.629 assign ( resid 106 and name HG2*) ( resid 106 and name HG13) 3.3 0.7 0.7 volume=1.377 peak=1690 ppm1=0.660 ppm2=0.897 assign ( resid 110 and name HA) ( resid 110 and name HB3) 3.5 0.7 0.7 volume=0.935 peak=3202 ppm1=3.981 ppm2=2.648 assign ( resid 65 and name HG2) ( resid 65 and name HB3) 2.9 0.6 0.6 volume=2.907 peak=665 ppm1=2.003 ppm2=2.238 assign ( resid 50 and name HB3) ( resid 51 and name H) 4.6 0.9 0.9 volume=0.184 peak=2643 ppm1=1.308 ppm2=9.537 assign ( resid 41 and name HA) ( resid 42 and name H) 3.0 0.6 0.6 volume=2.732 peak=1430 ppm1=4.304 ppm2=7.578 assign ( resid 43 and name HA3) ( resid 44 and name H) 3.7 0.7 0.7 volume=0.762 peak=69 ppm1=4.038 ppm2=7.483 assign ( resid 128 and name HB) ( resid 128 and name HA) 4.2 0.8 0.8 volume=0.341 peak=3053 ppm1=2.468 ppm2=5.050 assign ( resid 31 and name HG2*) ( resid 17 and name HA) 4.8 1.0 1.0 volume=0.155 peak=1039 ppm1=0.609 ppm2=5.639 assign ( resid 3 and name HB3) ( resid 3 and name HA) 3.4 0.7 0.7 volume=1.257 peak=214 ppm1=1.911 ppm2=4.336 assign ( resid 34 and name HA3) ( resid 35 and name HB2) 4.8 1.0 1.0 volume=0.155 peak=1033 ppm1=3.728 ppm2=2.160 assign ( resid 110 and name HG3) ( resid 109 and name HA) 4.2 0.8 0.8 volume=0.322 peak=1000 ppm1=1.814 ppm2=4.442 assign ( resid 13 and name HA) ( resid 13 and name HB3) 3.0 0.6 0.6 volume=2.577 peak=777 ppm1=4.000 ppm2=2.211 assign ( resid 67 and name HB3) ( resid 67 and name HA) 3.4 0.7 0.7 volume=1.280 peak=2644 ppm1=1.665 ppm2=4.972 assign ( resid 65 and name HD2) ( resid 66 and name H) 4.9 1.0 1.0 volume=0.127 peak=2614 ppm1=3.894 ppm2=8.098 assign ( resid 120 and name HA) ( resid 121 and name HB2) 4.1 0.8 0.8 volume=0.377 peak=1380 ppm1=3.658 ppm2=1.734 assign ( resid 117 and name HA) ( resid 120 and name HG1*) 4.5 0.9 0.9 volume=0.228 peak=2988 ppm1=3.787 ppm2=0.163 assign ( resid 60 and name HA) ( resid 59 and name HA) 3.5 0.7 0.7 volume=0.954 peak=1495 ppm1=4.920 ppm2=4.803 assign ( resid 110 and name HB2) ( resid 109 and name HA) 4.8 1.0 1.0 volume=0.159 peak=462 ppm1=2.128 ppm2=4.442 assign ( resid 78 and name HB3) ( resid 78 and name H) 4.5 0.9 0.9 volume=0.215 peak=303 ppm1=3.498 ppm2=8.552 assign ( resid 84 and name HB2) ( resid 70 and name HG1*) 4.5 0.9 0.9 volume=0.223 peak=153 ppm1=3.713 ppm2=0.748 assign ( resid 26 and name HB*) ( resid 20 and name H) 4.8 1.0 1.0 volume=0.156 peak=1701 ppm1=1.258 ppm2=8.993 assign ( resid 57 and name HD3) ( resid 57 and name HA) 4.2 0.8 0.8 volume=0.331 peak=2573 ppm1=1.518 ppm2=4.621 assign ( resid 31 and name HG12) ( resid 31 and name H) 3.9 0.8 0.8 volume=0.536 peak=3203 ppm1=0.797 ppm2=7.634 assign ( resid 125 and name HD3) ( resid 124 and name HB) 4.9 1.0 1.0 volume=0.141 peak=3477 ppm1=4.314 ppm2=3.794 assign ( resid 32 and name HG2*) ( resid 33 and name H) 3.7 0.7 0.7 volume=0.768 peak=2352 ppm1=1.111 ppm2=8.604 assign ( resid 108 and name HG2*) ( resid 108 and name H) 4.1 0.8 0.8 volume=0.416 peak=1044 ppm1=0.781 ppm2=8.195 assign ( resid 73 and name HA) ( resid 74 and name H) 3.8 0.8 0.8 volume=0.604 peak=2090 ppm1=5.752 ppm2=7.924 assign ( resid 109 and name HA) ( resid 110 and name HD2) 3.6 0.7 0.7 volume=0.841 peak=853 ppm1=4.442 ppm2=3.926 assign ( resid 119 and name HE*) ( resid 27 and name HD2*) 2.7 0.5 0.5 volume=4.837 peak=940 ppm1=2.078 ppm2=0.818 assign ( resid 38 and name HB) ( resid 38 and name HG2*) 3.1 0.6 0.6 volume=2.256 peak=1233 ppm1=4.346 ppm2=1.169 assign ( resid 25 and name HA) ( resid 26 and name HB*) 3.8 0.8 0.8 volume=0.570 peak=1683 ppm1=3.262 ppm2=1.263 assign ( resid 48 and name HA) ( resid 48 and name H) 4.6 0.9 0.9 volume=0.197 peak=1989 ppm1=4.905 ppm2=8.001 assign ( resid 92 and name HA) ( resid 92 and name HD*) 4.4 0.9 0.9 volume=0.249 peak=2017 ppm1=4.437 ppm2=6.762 assign ( resid 55 and name HB) ( resid 56 and name H) 4.1 0.8 0.8 volume=0.374 peak=1560 ppm1=3.726 ppm2=8.158 assign ( resid 65 and name HD3) ( resid 65 and name HA) 4.7 0.9 0.9 volume=0.169 peak=1066 ppm1=3.703 ppm2=4.979 assign ( resid 24 and name HB2) ( resid 24 and name H) 3.6 0.7 0.7 volume=0.896 peak=1230 ppm1=1.691 ppm2=7.600 assign ( resid 25 and name HG2*) ( resid 20 and name HE*) 3.3 0.7 0.7 volume=1.475 peak=170 ppm1=0.682 ppm2=6.376 assign ( resid 50 and name HE2) ( resid 50 and name HB2) 2.5 0.5 0.5 volume=7.309 peak=1345 ppm1=3.005 ppm2=1.612 assign ( resid 100 and name HG2) ( resid 100 and name HB3) 3.1 0.6 0.6 volume=2.205 peak=1408 ppm1=1.667 ppm2=1.487 assign ( resid 100 and name HD2) ( resid 100 and name HB3) 3.8 0.8 0.8 volume=0.651 peak=1358 ppm1=3.226 ppm2=1.487 assign ( resid 104 and name HA2) ( resid 103 and name HB2) 4.3 0.9 0.9 volume=0.292 peak=3529 ppm1=3.228 ppm2=3.692 assign ( resid 73 and name HA) ( resid 73 and name HB2) 4.4 0.9 0.9 volume=0.263 peak=2782 ppm1=5.752 ppm2=3.040 assign ( resid 31 and name HD1*) ( resid 31 and name HB) 3.3 0.7 0.7 volume=1.533 peak=1695 ppm1=0.448 ppm2=1.867 assign ( resid 41 and name HB2) ( resid 41 and name HD3) 4.1 0.8 0.8 volume=0.387 peak=2059 ppm1=2.032 ppm2=3.774 assign ( resid 125 and name HG3) ( resid 126 and name H) 5.1 1.0 1.0 volume=0.109 peak=3048 ppm1=2.164 ppm2=8.527 assign ( resid 109 and name HD2) ( resid 109 and name HG2) 4.3 0.9 0.9 volume=0.290 peak=2292 ppm1=2.950 ppm2=-0.094 assign ( resid 75 and name HD2) ( resid 75 and name HD3) 3.9 0.8 0.8 volume=0.509 peak=919 ppm1=3.151 ppm2=1.010 assign ( resid 71 and name HB2) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.714 peak=2544 ppm1=2.433 ppm2=10.387 assign ( resid 65 and name HA) ( resid 66 and name H) 3.2 0.6 0.6 volume=1.638 peak=528 ppm1=4.979 ppm2=8.098 assign ( resid 35 and name HE3) ( resid 35 and name HD3) 3.5 0.7 0.7 volume=0.969 peak=1131 ppm1=2.839 ppm2=1.336 assign ( resid 93 and name HA2) ( resid 94 and name H) 4.1 0.8 0.8 volume=0.394 peak=1818 ppm1=4.398 ppm2=8.641 assign ( resid 74 and name HE*) ( resid 74 and name H) 4.3 0.9 0.9 volume=0.278 peak=322 ppm1=1.645 ppm2=7.932 assign ( resid 117 and name HB2) ( resid 118 and name H) 4.6 0.9 0.9 volume=0.204 peak=3508 ppm1=2.428 ppm2=7.191 assign ( resid 21 and name HG3) ( resid 21 and name H) 4.4 0.9 0.9 volume=0.271 peak=760 ppm1=1.203 ppm2=8.465 assign ( resid 8 and name HG2*) ( resid 116 and name HD1*) 3.9 0.8 0.8 volume=0.509 peak=1866 ppm1=0.880 ppm2=0.388 assign ( resid 57 and name HE3) ( resid 57 and name HG2) 2.8 0.6 0.6 volume=3.935 peak=1451 ppm1=2.783 ppm2=1.133 assign ( resid 38 and name HB) ( resid 38 and name HA) 3.5 0.7 0.7 volume=0.997 peak=1140 ppm1=4.345 ppm2=4.573 assign ( resid 114 and name HE2) ( resid 114 and name HG2) 2.9 0.6 0.6 volume=2.906 peak=1375 ppm1=2.987 ppm2=1.139 assign ( resid 121 and name HA) ( resid 121 and name HG2) 3.8 0.8 0.8 volume=0.598 peak=1218 ppm1=4.413 ppm2=2.394 assign ( resid 78 and name HB3) ( resid 78 and name HB2) 3.4 0.7 0.7 volume=1.288 peak=1419 ppm1=3.504 ppm2=3.108 assign ( resid 100 and name HG2) ( resid 100 and name HA) 3.0 0.6 0.6 volume=2.341 peak=581 ppm1=1.667 ppm2=4.790 assign ( resid 124 and name HB) ( resid 125 and name HD2) 4.2 0.8 0.8 volume=0.346 peak=1504 ppm1=3.791 ppm2=4.474 assign ( resid 13 and name HB3) ( resid 13 and name HG2) 2.7 0.5 0.5 volume=4.957 peak=1260 ppm1=2.211 ppm2=2.262 assign ( resid 122 and name HE2) ( resid 122 and name HB3) 3.3 0.7 0.7 volume=1.437 peak=2689 ppm1=3.049 ppm2=1.698 assign ( resid 80 and name HA2) ( resid 79 and name H) 4.1 0.8 0.8 volume=0.372 peak=118 ppm1=4.675 ppm2=8.513 assign ( resid 95 and name HA) ( resid 95 and name HB2) 3.5 0.7 0.7 volume=0.967 peak=1546 ppm1=5.163 ppm2=2.607 assign ( resid 88 and name HB2) ( resid 88 and name HA) 3.7 0.7 0.7 volume=0.776 peak=1832 ppm1=3.478 ppm2=4.657 assign ( resid 125 and name HB3) ( resid 125 and name HG2) 3.0 0.6 0.6 volume=2.376 peak=992 ppm1=1.935 ppm2=2.358 assign ( resid 12 and name HD1*) ( resid 12 and name HB2) 3.3 0.7 0.7 volume=1.492 peak=14 ppm1=0.562 ppm2=1.807 assign ( resid 42 and name HB*) ( resid 41 and name HB2) 5.2 1.0 1.0 volume=0.095 peak=542 ppm1=1.419 ppm2=2.045 assign ( resid 70 and name HA) ( resid 70 and name HG2*) 4.0 0.8 0.8 volume=0.438 peak=180 ppm1=4.726 ppm2=0.513 assign ( resid 7 and name HB2) ( resid 7 and name HB3) 3.8 0.8 0.8 volume=0.630 peak=2669 ppm1=3.522 ppm2=2.723 assign ( resid 71 and name HB2) ( resid 71 and name HD21) 3.9 0.8 0.8 volume=0.523 peak=738 ppm1=2.435 ppm2=7.455 assign ( resid 88 and name HA) ( resid 88 and name HB3) 3.2 0.6 0.6 volume=1.868 peak=593 ppm1=4.654 ppm2=3.338 assign ( resid 73 and name HA) ( resid 72 and name HB2) 3.9 0.8 0.8 volume=0.517 peak=2046 ppm1=5.752 ppm2=2.711 assign ( resid 125 and name HG3) ( resid 125 and name HB3) 3.6 0.7 0.7 volume=0.857 peak=671 ppm1=2.164 ppm2=1.935 assign ( resid 85 and name HA) ( resid 86 and name HB3) 3.9 0.8 0.8 volume=0.489 peak=858 ppm1=5.151 ppm2=2.202 assign ( resid 124 and name HG2*) ( resid 125 and name HD3) 3.4 0.7 0.7 volume=1.166 peak=2892 ppm1=1.568 ppm2=4.313 assign ( resid 57 and name HG3) ( resid 58 and name H) 4.5 0.9 0.9 volume=0.217 peak=2719 ppm1=1.153 ppm2=6.612 assign ( resid 113 and name HE*) ( resid 113 and name HA) 4.0 0.8 0.8 volume=0.465 peak=2696 ppm1=2.085 ppm2=4.094 assign ( resid 108 and name HA) ( resid 109 and name HG2) 4.5 0.9 0.9 volume=0.234 peak=1002 ppm1=4.415 ppm2=-0.094 assign ( resid 39 and name HD2) ( resid 39 and name HB2) 3.5 0.7 0.7 volume=1.089 peak=1389 ppm1=3.424 ppm2=2.027 assign ( resid 45 and name HB2) ( resid 46 and name H) 4.7 0.9 0.9 volume=0.171 peak=471 ppm1=3.982 ppm2=7.920 assign ( resid 92 and name HA) ( resid 91 and name HB3) 3.6 0.7 0.7 volume=0.845 peak=3301 ppm1=4.437 ppm2=1.962 assign ( resid 86 and name HA) ( resid 87 and name HB2) 4.8 1.0 1.0 volume=0.159 peak=614 ppm1=3.626 ppm2=2.959 assign ( resid 56 and name HD1*) ( resid 56 and name HA) 3.0 0.6 0.6 volume=2.543 peak=773 ppm1=-0.684 ppm2=4.017 assign ( resid 87 and name HB3) ( resid 87 and name HB2) 2.7 0.5 0.5 volume=4.422 peak=1301 ppm1=2.729 ppm2=2.959 assign ( resid 36 and name HG3) ( resid 36 and name HD2) 4.3 0.9 0.9 volume=0.291 peak=3419 ppm1=2.025 ppm2=4.028 assign ( resid 57 and name HA) ( resid 57 and name HB2) 3.6 0.7 0.7 volume=0.829 peak=2024 ppm1=4.621 ppm2=1.456 assign ( resid 29 and name HA) ( resid 29 and name H) 4.0 0.8 0.8 volume=0.422 peak=2029 ppm1=4.344 ppm2=8.024 assign ( resid 98 and name HD2) ( resid 98 and name HG2) 3.5 0.7 0.7 volume=0.978 peak=2155 ppm1=1.242 ppm2=-0.173 assign ( resid 32 and name HG1*) ( resid 89 and name HE22) 4.3 0.9 0.9 volume=0.282 peak=1831 ppm1=1.007 ppm2=7.242 assign ( resid 68 and name HB3) ( resid 56 and name HD1*) 4.5 0.9 0.9 volume=0.234 peak=1845 ppm1=3.387 ppm2=-0.690 assign ( resid 73 and name HB2) ( resid 73 and name H) 4.5 0.9 0.9 volume=0.211 peak=3168 ppm1=3.040 ppm2=9.010 assign ( resid 90 and name HA) ( resid 90 and name HG2) 2.9 0.6 0.6 volume=2.882 peak=2321 ppm1=4.493 ppm2=1.950 assign ( resid 69 and name HG3) ( resid 69 and name HD2) 3.2 0.6 0.6 volume=1.757 peak=3068 ppm1=2.182 ppm2=3.747 assign ( resid 113 and name HE*) ( resid 117 and name H) 3.9 0.8 0.8 volume=0.510 peak=2913 ppm1=2.086 ppm2=8.859 assign ( resid 106 and name HG12) ( resid 107 and name H) 4.9 1.0 1.0 volume=0.129 peak=2617 ppm1=1.339 ppm2=8.991 assign ( resid 30 and name HA) ( resid 30 and name HB2) 3.7 0.7 0.7 volume=0.665 peak=11 ppm1=5.336 ppm2=2.580 assign ( resid 24 and name HG2) ( resid 24 and name HB3) 2.7 0.5 0.5 volume=4.674 peak=1 ppm1=1.408 ppm2=1.770 assign ( resid 121 and name HB3) ( resid 121 and name H) 3.7 0.7 0.7 volume=0.666 peak=3006 ppm1=2.071 ppm2=8.104 assign ( resid 121 and name HG3) ( resid 121 and name HA) 3.3 0.7 0.7 volume=1.518 peak=747 ppm1=2.251 ppm2=4.413 assign ( resid 100 and name HB3) ( resid 100 and name H) 4.1 0.8 0.8 volume=0.375 peak=1862 ppm1=1.485 ppm2=8.889 assign ( resid 35 and name HG2) ( resid 35 and name HG3) 3.5 0.7 0.7 volume=0.986 peak=1022 ppm1=1.144 ppm2=1.599 assign ( resid 81 and name HG2*) ( resid 81 and name HA) 3.3 0.7 0.7 volume=1.324 peak=2848 ppm1=0.659 ppm2=4.291 assign ( resid 24 and name HG3) ( resid 24 and name HD3) 2.6 0.5 0.5 volume=5.417 peak=554 ppm1=1.380 ppm2=1.670 assign ( resid 122 and name HB3) ( resid 122 and name HG3) 3.5 0.7 0.7 volume=1.073 peak=567 ppm1=1.700 ppm2=1.366 assign ( resid 127 and name HA) ( resid 127 and name HB2) 3.4 0.7 0.7 volume=1.118 peak=2583 ppm1=5.066 ppm2=1.870 assign ( resid 86 and name HA) ( resid 85 and name HB2) 4.6 0.9 0.9 volume=0.207 peak=242 ppm1=3.626 ppm2=2.710 assign ( resid 24 and name HG3) ( resid 24 and name HE2) 3.9 0.8 0.8 volume=0.539 peak=2792 ppm1=1.380 ppm2=3.044 assign ( resid 91 and name HA) ( resid 92 and name HB2) 3.9 0.8 0.8 volume=0.542 peak=1646 ppm1=4.544 ppm2=2.563 assign ( resid 19 and name HA) ( resid 19 and name HE*) 4.8 1.0 1.0 volume=0.152 peak=3516 ppm1=5.371 ppm2=6.504 assign ( resid 122 and name HE3) ( resid 122 and name HD2) 3.2 0.6 0.6 volume=1.731 peak=1398 ppm1=3.132 ppm2=1.824 assign ( resid 60 and name HA) ( resid 61 and name HA) 5.8 1.2 1.2 volume=0.049 peak=1246 ppm1=4.920 ppm2=4.379 assign ( resid 25 and name HA) ( resid 26 and name H) 3.3 0.7 0.7 volume=1.302 peak=1226 ppm1=3.261 ppm2=9.296 assign ( resid 67 and name HB2) ( resid 67 and name H) 3.7 0.7 0.7 volume=0.754 peak=348 ppm1=1.697 ppm2=8.198 assign ( resid 69 and name HD3) ( resid 69 and name HG2) 3.2 0.6 0.6 volume=1.568 peak=2591 ppm1=3.591 ppm2=1.893 assign ( resid 57 and name HE3) ( resid 57 and name HB2) 2.9 0.6 0.6 volume=3.250 peak=1627 ppm1=2.783 ppm2=1.456 assign ( resid 15 and name HA) ( resid 15 and name H) 3.3 0.7 0.7 volume=1.304 peak=546 ppm1=3.387 ppm2=8.055 assign ( resid 91 and name HA) ( resid 91 and name HG3) 3.4 0.7 0.7 volume=1.100 peak=3298 ppm1=4.544 ppm2=2.135 assign ( resid 21 and name HE3) ( resid 21 and name HD3) 2.7 0.5 0.5 volume=5.024 peak=2232 ppm1=3.015 ppm2=1.758 assign ( resid 100 and name HD2) ( resid 100 and name HG2) 3.2 0.6 0.6 volume=1.588 peak=247 ppm1=3.226 ppm2=1.667 assign ( resid 39 and name HD3) ( resid 39 and name HA) 4.6 0.9 0.9 volume=0.182 peak=882 ppm1=3.399 ppm2=4.183 assign ( resid 36 and name HD3) ( resid 37 and name H) 5.0 1.0 1.0 volume=0.125 peak=3003 ppm1=3.712 ppm2=7.306 assign ( resid 12 and name HA) ( resid 13 and name H) 4.6 0.9 0.9 volume=0.203 peak=1976 ppm1=3.697 ppm2=9.100 assign ( resid 79 and name HG2*) ( resid 79 and name HA) 3.0 0.6 0.6 volume=2.772 peak=52 ppm1=1.094 ppm2=4.697 assign ( resid 110 and name HB3) ( resid 110 and name HD3) 4.2 0.8 0.8 volume=0.358 peak=2228 ppm1=2.648 ppm2=3.832 assign ( resid 27 and name HB3) ( resid 26 and name HA) 3.4 0.7 0.7 volume=1.121 peak=328 ppm1=1.787 ppm2=4.448 assign ( resid 17 and name HB2) ( resid 17 and name HG3) 4.5 0.9 0.9 volume=0.235 peak=677 ppm1=1.654 ppm2=1.791 assign ( resid 119 and name HB3) ( resid 120 and name HG1*) 4.4 0.9 0.9 volume=0.267 peak=3523 ppm1=1.984 ppm2=0.159 assign ( resid 6 and name HA) ( resid 7 and name H) 3.3 0.7 0.7 volume=1.445 peak=522 ppm1=5.224 ppm2=8.657 assign ( resid 91 and name HA) ( resid 92 and name H) 3.0 0.6 0.6 volume=2.432 peak=3151 ppm1=4.544 ppm2=8.622 assign ( resid 27 and name HD1*) ( resid 27 and name HB2) 3.3 0.7 0.7 volume=1.416 peak=2092 ppm1=0.640 ppm2=1.386 assign ( resid 87 and name HB2) ( resid 88 and name H) 4.3 0.9 0.9 volume=0.284 peak=182 ppm1=2.956 ppm2=7.009 assign ( resid 56 and name HD2*) ( resid 56 and name HA) 3.8 0.8 0.8 volume=0.636 peak=295 ppm1=-0.092 ppm2=4.001 assign ( resid 99 and name HB) ( resid 99 and name H) 4.4 0.9 0.9 volume=0.261 peak=875 ppm1=4.159 ppm2=7.393 assign ( resid 60 and name HB2) ( resid 60 and name HD21) 4.0 0.8 0.8 volume=0.445 peak=1899 ppm1=3.061 ppm2=6.956 assign ( resid 65 and name HD2) ( resid 65 and name HG2) 3.2 0.6 0.6 volume=1.641 peak=2458 ppm1=3.894 ppm2=2.003 assign ( resid 39 and name HD3) ( resid 38 and name HA) 3.5 0.7 0.7 volume=1.058 peak=1090 ppm1=3.399 ppm2=4.580 assign ( resid 41 and name HB2) ( resid 41 and name HA) 3.5 0.7 0.7 volume=1.035 peak=283 ppm1=2.035 ppm2=4.310 assign ( resid 56 and name HG) ( resid 56 and name HD2*) 3.6 0.7 0.7 volume=0.916 peak=2101 ppm1=0.985 ppm2=-0.092 assign ( resid 32 and name HG1*) ( resid 89 and name HE21) 4.2 0.8 0.8 volume=0.330 peak=625 ppm1=1.006 ppm2=7.618 assign ( resid 52 and name HB2) ( resid 53 and name HA) 3.8 0.8 0.8 volume=0.569 peak=2483 ppm1=1.793 ppm2=4.392 assign ( resid 46 and name HB2) ( resid 46 and name HA) 4.2 0.8 0.8 volume=0.320 peak=986 ppm1=2.776 ppm2=5.175 assign ( resid 11 and name HB2) ( resid 11 and name H) 4.2 0.8 0.8 volume=0.344 peak=3139 ppm1=2.854 ppm2=8.608 assign ( resid 5 and name HB3) ( resid 6 and name HB) 3.3 0.7 0.7 volume=1.427 peak=802 ppm1=2.685 ppm2=4.196 assign ( resid 124 and name HB) ( resid 124 and name HG2*) 3.5 0.7 0.7 volume=1.032 peak=2630 ppm1=3.799 ppm2=1.569 assign ( resid 122 and name HG3) ( resid 122 and name HA) 4.1 0.8 0.8 volume=0.364 peak=2551 ppm1=1.379 ppm2=3.688 assign ( resid 65 and name HB2) ( resid 66 and name HA) 3.8 0.8 0.8 volume=0.643 peak=965 ppm1=1.863 ppm2=4.900 assign ( resid 57 and name HA) ( resid 56 and name H) 4.2 0.8 0.8 volume=0.323 peak=2150 ppm1=4.621 ppm2=8.171 assign ( resid 74 and name HB3) ( resid 74 and name HE*) 3.4 0.7 0.7 volume=1.139 peak=3125 ppm1=2.046 ppm2=1.643 assign ( resid 15 and name HA) ( resid 14 and name H) 4.5 0.9 0.9 volume=0.218 peak=1172 ppm1=3.383 ppm2=7.737 assign ( resid 49 and name HB3) ( resid 49 and name HD22) 4.4 0.9 0.9 volume=0.265 peak=126 ppm1=1.668 ppm2=7.695 assign ( resid 48 and name HA) ( resid 48 and name HB2) 3.6 0.7 0.7 volume=0.848 peak=523 ppm1=4.905 ppm2=2.790 assign ( resid 110 and name HD2) ( resid 110 and name HG2) 4.1 0.8 0.8 volume=0.372 peak=2210 ppm1=3.926 ppm2=2.368 assign ( resid 83 and name HA) ( resid 83 and name HG12) 4.0 0.8 0.8 volume=0.451 peak=3040 ppm1=4.647 ppm2=1.464 assign ( resid 4 and name HA) ( resid 4 and name H) 3.1 0.6 0.6 volume=2.156 peak=888 ppm1=4.306 ppm2=8.348 assign ( resid 122 and name HB2) ( resid 121 and name HA) 3.8 0.8 0.8 volume=0.589 peak=3147 ppm1=1.692 ppm2=4.413 assign ( resid 31 and name HD1*) ( resid 31 and name HG2*) 2.5 0.5 0.5 volume=7.559 peak=3350 ppm1=0.448 ppm2=0.606 assign ( resid 96 and name HB3) ( resid 96 and name HD2*) 3.5 0.7 0.7 volume=0.965 peak=1346 ppm1=1.131 ppm2=0.712 assign ( resid 69 and name HG2) ( resid 70 and name H) 4.2 0.8 0.8 volume=0.348 peak=263 ppm1=1.893 ppm2=8.628 assign ( resid 113 and name HE*) ( resid 72 and name HA) 4.2 0.8 0.8 volume=0.342 peak=188 ppm1=2.088 ppm2=4.491 assign ( resid 40 and name HA) ( resid 39 and name HB3) 4.0 0.8 0.8 volume=0.420 peak=3386 ppm1=4.466 ppm2=1.830 assign ( resid 56 and name HB3) ( resid 56 and name HG) 3.7 0.7 0.7 volume=0.725 peak=2216 ppm1=1.155 ppm2=0.982 assign ( resid 52 and name HB3) ( resid 52 and name HG3) 2.8 0.6 0.6 volume=3.940 peak=2180 ppm1=1.909 ppm2=2.031 assign ( resid 128 and name HB) ( resid 127 and name HA) 4.1 0.8 0.8 volume=0.363 peak=1679 ppm1=2.468 ppm2=5.053 assign ( resid 30 and name HA) ( resid 29 and name H) 4.4 0.9 0.9 volume=0.243 peak=2178 ppm1=5.334 ppm2=8.025 assign ( resid 57 and name HG2) ( resid 57 and name H) 3.9 0.8 0.8 volume=0.512 peak=2419 ppm1=1.133 ppm2=8.066 assign ( resid 21 and name HA) ( resid 21 and name H) 4.1 0.8 0.8 volume=0.382 peak=2928 ppm1=4.545 ppm2=8.465 assign ( resid 83 and name HG2*) ( resid 108 and name HB) 4.1 0.8 0.8 volume=0.408 peak=350 ppm1=0.740 ppm2=3.415 assign ( resid 57 and name HB3) ( resid 57 and name HE3) 4.4 0.9 0.9 volume=0.252 peak=207 ppm1=1.663 ppm2=2.783 assign ( resid 94 and name HA2) ( resid 93 and name H) 4.6 0.9 0.9 volume=0.201 peak=1637 ppm1=3.864 ppm2=7.990 assign ( resid 121 and name HA) ( resid 122 and name HB3) 3.4 0.7 0.7 volume=1.262 peak=3307 ppm1=4.413 ppm2=1.698 assign ( resid 56 and name HG) ( resid 56 and name HB2) 3.7 0.7 0.7 volume=0.771 peak=231 ppm1=0.985 ppm2=1.396 assign ( resid 73 and name HA) ( resid 72 and name HB3) 3.9 0.8 0.8 volume=0.498 peak=3517 ppm1=5.752 ppm2=2.424 assign ( resid 21 and name HB3) ( resid 21 and name HA) 3.9 0.8 0.8 volume=0.546 peak=1175 ppm1=1.105 ppm2=4.545 assign ( resid 12 and name HD1*) ( resid 12 and name HB3) 3.3 0.7 0.7 volume=1.364 peak=1098 ppm1=0.562 ppm2=0.958 assign ( resid 21 and name HG2) ( resid 22 and name H) 4.0 0.8 0.8 volume=0.419 peak=741 ppm1=1.217 ppm2=8.654 assign ( resid 116 and name HA) ( resid 117 and name H) 4.8 1.0 1.0 volume=0.146 peak=397 ppm1=3.575 ppm2=8.859 assign ( resid 88 and name HZ2) ( resid 88 and name HZ3) 4.3 0.9 0.9 volume=0.278 peak=18 ppm1=7.915 ppm2=7.533 assign ( resid 97 and name HD1) ( resid 95 and name HB3) 3.6 0.7 0.7 volume=0.788 peak=196 ppm1=7.448 ppm2=2.717 assign ( resid 84 and name HD2) ( resid 56 and name HD1*) 4.3 0.9 0.9 volume=0.281 peak=14 ppm1=6.921 ppm2=-0.670 assign ( resid 18 and name HE3) ( resid 17 and name HA) 4.2 0.8 0.8 volume=0.346 peak=241 ppm1=7.911 ppm2=5.633 assign ( resid 20 and name HD*) ( resid 18 and name HB2) 3.3 0.7 0.7 volume=1.375 peak=300 ppm1=6.204 ppm2=2.654 assign ( resid 73 and name HH2) ( resid 56 and name HD1*) 4.2 0.8 0.8 volume=0.337 peak=242 ppm1=7.136 ppm2=-0.673 assign ( resid 66 and name HD*) ( resid 58 and name HA3) 3.4 0.7 0.7 volume=1.289 peak=237 ppm1=6.301 ppm2=3.371 assign ( resid 78 and name HE3) ( resid 78 and name HB2) 3.5 0.7 0.7 volume=0.940 peak=248 ppm1=7.447 ppm2=3.111 assign ( resid 73 and name HZ3) ( resid 73 and name HE3) 4.2 0.8 0.8 volume=0.347 peak=276 ppm1=6.840 ppm2=7.618 assign ( resid 97 and name HZ3) ( resid 35 and name HA) 4.5 0.9 0.9 volume=0.210 peak=104 ppm1=6.855 ppm2=5.122 assign ( resid 97 and name HZ3) ( resid 97 and name HE3) 3.9 0.8 0.8 volume=0.491 peak=243 ppm1=6.860 ppm2=7.994 assign ( resid 97 and name HD1) ( resid 97 and name HA) 4.0 0.8 0.8 volume=0.478 peak=198 ppm1=7.448 ppm2=3.734 assign ( resid 73 and name HD1) ( resid 73 and name HA) 4.0 0.8 0.8 volume=0.425 peak=230 ppm1=7.067 ppm2=5.749 assign ( resid 18 and name HD1) ( resid 25 and name HG1*) 2.9 0.6 0.6 volume=3.413 peak=221 ppm1=6.962 ppm2=0.811 assign ( resid 7 and name HE*) ( resid 6 and name HA) 4.1 0.8 0.8 volume=0.400 peak=362 ppm1=6.315 ppm2=5.249 assign ( resid 129 and name HZ) ( resid 11 and name HA) 4.0 0.8 0.8 volume=0.420 peak=211 ppm1=7.242 ppm2=4.249 assign ( resid 117 and name HD*) ( resid 117 and name HE*) 3.3 0.7 0.7 volume=1.367 peak=59 ppm1=6.953 ppm2=7.416 assign ( resid 7 and name HD*) ( resid 7 and name HB3) 2.9 0.6 0.6 volume=3.355 peak=79 ppm1=6.638 ppm2=2.704 assign ( resid 97 and name HE3) ( resid 97 and name HH2) 3.9 0.8 0.8 volume=0.520 peak=324 ppm1=7.972 ppm2=7.223 assign ( resid 73 and name HE3) ( resid 70 and name HG1*) 4.6 0.9 0.9 volume=0.201 peak=150 ppm1=7.604 ppm2=0.769 assign ( resid 18 and name HE3) ( resid 25 and name HG2*) 4.0 0.8 0.8 volume=0.473 peak=75 ppm1=7.910 ppm2=0.681 assign ( resid 19 and name HE*) ( resid 19 and name HA) 3.5 0.7 0.7 volume=0.953 peak=355 ppm1=6.501 ppm2=5.343 assign ( resid 20 and name HE*) ( resid 18 and name HB3) 3.2 0.6 0.6 volume=1.758 peak=224 ppm1=6.381 ppm2=3.289 assign ( resid 73 and name HE3) ( resid 56 and name HD2*) 4.6 0.9 0.9 volume=0.184 peak=318 ppm1=7.602 ppm2=-0.079 assign ( resid 73 and name HD1) ( resid 75 and name HG3) 3.8 0.8 0.8 volume=0.615 peak=264 ppm1=7.061 ppm2=0.781 assign ( resid 45 and name HD*) ( resid 45 and name HB3) 3.1 0.6 0.6 volume=2.193 peak=100 ppm1=7.129 ppm2=2.456 assign ( resid 45 and name HD*) ( resid 128 and name HG2*) 2.9 0.6 0.6 volume=3.119 peak=108 ppm1=7.133 ppm2=0.837 assign ( resid 97 and name HD1) ( resid 97 and name HE3) 4.2 0.8 0.8 volume=0.334 peak=361 ppm1=7.447 ppm2=7.982 assign ( resid 45 and name HE*) ( resid 42 and name HB*) 4.0 0.8 0.8 volume=0.443 peak=144 ppm1=7.145 ppm2=1.428 assign ( resid 129 and name HE*) ( resid 127 and name HG) 3.6 0.7 0.7 volume=0.844 peak=111 ppm1=7.255 ppm2=1.761 assign ( resid 84 and name HD2) ( resid 84 and name HB2) 4.0 0.8 0.8 volume=0.457 peak=26 ppm1=6.923 ppm2=3.737 assign ( resid 19 and name HE*) ( resid 116 and name HD1*) 4.0 0.8 0.8 volume=0.425 peak=217 ppm1=6.502 ppm2=0.387 assign ( resid 19 and name HD*) ( resid 8 and name HG2*) 3.1 0.6 0.6 volume=2.142 peak=164 ppm1=6.865 ppm2=0.885 assign ( resid 88 and name HH2) ( resid 70 and name HG2*) 4.8 1.0 1.0 volume=0.153 peak=329 ppm1=7.053 ppm2=0.521 assign ( resid 84 and name HE1) ( resid 88 and name HZ3) 4.1 0.8 0.8 volume=0.403 peak=265 ppm1=7.955 ppm2=7.534 assign ( resid 7 and name HD*) ( resid 8 and name HB) 3.0 0.6 0.6 volume=2.337 peak=68 ppm1=6.638 ppm2=1.899 assign ( resid 73 and name HD1) ( resid 51 and name HA) 3.7 0.7 0.7 volume=0.690 peak=306 ppm1=7.064 ppm2=4.933 assign ( resid 48 and name HE3) ( resid 48 and name HA) 4.1 0.8 0.8 volume=0.361 peak=1 ppm1=7.541 ppm2=4.893 assign ( resid 78 and name HE3) ( resid 77 and name HB3) 4.4 0.9 0.9 volume=0.248 peak=215 ppm1=7.444 ppm2=2.474 assign ( resid 18 and name HZ3) ( resid 18 and name HZ2) 3.6 0.7 0.7 volume=0.792 peak=11 ppm1=7.243 ppm2=7.457 assign ( resid 88 and name HD1) ( resid 88 and name HE3) 4.0 0.8 0.8 volume=0.462 peak=374 ppm1=7.041 ppm2=8.019 assign ( resid 129 and name HD*) ( resid 9 and name HA) 4.2 0.8 0.8 volume=0.312 peak=4 ppm1=7.180 ppm2=5.781 assign ( resid 117 and name HZ) ( resid 117 and name HE*) 3.4 0.7 0.7 volume=1.099 peak=118 ppm1=7.128 ppm2=7.416 assign ( resid 84 and name HD2) ( resid 56 and name HD2*) 3.5 0.7 0.7 volume=0.918 peak=90 ppm1=6.919 ppm2=-0.075 assign ( resid 45 and name HD*) ( resid 45 and name HB2) 3.4 0.7 0.7 volume=1.250 peak=86 ppm1=7.137 ppm2=3.988 assign ( resid 103 and name HD2) ( resid 66 and name HD*) 4.2 0.8 0.8 volume=0.325 peak=255 ppm1=7.205 ppm2=6.313 assign ( resid 45 and name HZ) ( resid 41 and name HA) 4.2 0.8 0.8 volume=0.339 peak=131 ppm1=6.874 ppm2=4.312 assign ( resid 18 and name HE3) ( resid 17 and name HG2) 4.6 0.9 0.9 volume=0.207 peak=62 ppm1=7.911 ppm2=2.268 assign ( resid 46 and name HE*) ( resid 125 and name HB2) 3.3 0.7 0.7 volume=1.304 peak=61 ppm1=6.813 ppm2=2.340 assign ( resid 73 and name HH2) ( resid 73 and name HZ2) 2.7 0.5 0.5 volume=4.913 peak=286 ppm1=7.138 ppm2=7.229 assign ( resid 18 and name HD1) ( resid 20 and name HD*) 4.2 0.8 0.8 volume=0.317 peak=102 ppm1=6.966 ppm2=6.213 assign ( resid 129 and name HD*) ( resid 129 and name H) 3.6 0.7 0.7 volume=0.914 peak=183 ppm1=7.182 ppm2=8.835 assign ( resid 78 and name HH2) ( resid 78 and name HE3) 3.7 0.7 0.7 volume=0.681 peak=119 ppm1=6.869 ppm2=7.463 assign ( resid 46 and name HD*) ( resid 47 and name HG2*) 3.7 0.7 0.7 volume=0.661 peak=277 ppm1=6.931 ppm2=0.663 assign ( resid 66 and name HD*) ( resid 103 and name HD2) 4.4 0.9 0.9 volume=0.243 peak=219 ppm1=6.299 ppm2=7.213 assign ( resid 66 and name HD*) ( resid 58 and name HA2) 3.8 0.8 0.8 volume=0.569 peak=328 ppm1=6.305 ppm2=3.890 assign ( resid 19 and name HE*) ( resid 6 and name HG2*) 2.7 0.5 0.5 volume=4.786 peak=271 ppm1=6.502 ppm2=1.584 assign ( resid 19 and name HD*) ( resid 19 and name HB3) 3.2 0.6 0.6 volume=1.752 peak=133 ppm1=6.866 ppm2=2.732 assign ( resid 66 and name HD*) ( resid 60 and name HA) 2.8 0.6 0.6 volume=3.793 peak=246 ppm1=6.302 ppm2=4.915 assign ( resid 45 and name HE*) ( resid 77 and name HB2) 3.9 0.8 0.8 volume=0.534 peak=52 ppm1=7.143 ppm2=3.195 assign ( resid 19 and name HE*) ( resid 19 and name HB3) 3.2 0.6 0.6 volume=1.583 peak=188 ppm1=6.501 ppm2=2.734 assign ( resid 88 and name HD1) ( resid 88 and name HB2) 3.1 0.6 0.6 volume=2.058 peak=247 ppm1=7.043 ppm2=3.468 assign ( resid 66 and name HE*) ( resid 66 and name HD*) 2.6 0.5 0.5 volume=6.134 peak=40 ppm1=5.992 ppm2=6.317 assign ( resid 18 and name HH2) ( resid 18 and name HZ3) 2.7 0.5 0.5 volume=4.300 peak=107 ppm1=7.361 ppm2=7.244 assign ( resid 129 and name HE*) ( resid 11 and name HB2) 3.5 0.7 0.7 volume=1.002 peak=205 ppm1=7.254 ppm2=2.844 assign ( resid 73 and name HH2) ( resid 56 and name HD2*) 4.1 0.8 0.8 volume=0.372 peak=170 ppm1=7.134 ppm2=-0.084 assign ( resid 19 and name HD*) ( resid 20 and name H) 3.8 0.8 0.8 volume=0.631 peak=240 ppm1=6.867 ppm2=8.990 assign ( resid 18 and name HZ2) ( resid 18 and name HZ3) 3.3 0.7 0.7 volume=1.454 peak=45 ppm1=7.458 ppm2=7.245 assign ( resid 18 and name HD1) ( resid 18 and name HA) 3.4 0.7 0.7 volume=1.218 peak=310 ppm1=6.962 ppm2=4.971 assign ( resid 73 and name HZ3) ( resid 56 and name HD1*) 4.6 0.9 0.9 volume=0.182 peak=193 ppm1=6.848 ppm2=-0.646 assign ( resid 117 and name HD*) ( resid 117 and name HB3) 3.3 0.7 0.7 volume=1.375 peak=175 ppm1=6.951 ppm2=2.569 assign ( resid 45 and name HD*) ( resid 128 and name HG1*) 2.9 0.6 0.6 volume=3.119 peak=321 ppm1=7.136 ppm2=0.810 assign ( resid 18 and name HE3) ( resid 20 and name HE*) 4.3 0.9 0.9 volume=0.276 peak=87 ppm1=7.905 ppm2=6.378 assign ( resid 48 and name HE3) ( resid 48 and name HB3) 4.0 0.8 0.8 volume=0.478 peak=51 ppm1=7.544 ppm2=3.527 assign ( resid 45 and name HZ) ( resid 128 and name HG2*) 4.0 0.8 0.8 volume=0.483 peak=127 ppm1=6.881 ppm2=0.817 assign ( resid 103 and name HD2) ( resid 103 and name HB3) 3.3 0.7 0.7 volume=1.318 peak=199 ppm1=7.208 ppm2=3.358 assign ( resid 78 and name HD1) ( resid 78 and name HA) 3.3 0.7 0.7 volume=1.313 peak=278 ppm1=6.942 ppm2=5.176 assign ( resid 117 and name HD*) ( resid 74 and name HB2) 3.6 0.7 0.7 volume=0.830 peak=268 ppm1=6.955 ppm2=1.652 assign ( resid 88 and name HZ3) ( resid 88 and name HE3) 3.0 0.6 0.6 volume=2.496 peak=354 ppm1=7.520 ppm2=8.016 assign ( resid 45 and name HD*) ( resid 45 and name HZ) 3.4 0.7 0.7 volume=1.255 peak=176 ppm1=7.127 ppm2=6.898 assign ( resid 88 and name HE3) ( resid 88 and name HH2) 3.6 0.7 0.7 volume=0.916 peak=63 ppm1=8.017 ppm2=7.061 assign ( resid 48 and name HZ3) ( resid 48 and name HE3) 3.3 0.7 0.7 volume=1.460 peak=289 ppm1=7.175 ppm2=7.558 assign ( resid 73 and name HD1) ( resid 54 and name HB*) 3.1 0.6 0.6 volume=2.259 peak=381 ppm1=7.066 ppm2=0.915 assign ( resid 88 and name HH2) ( resid 68 and name HB3) 3.7 0.7 0.7 volume=0.743 peak=369 ppm1=7.049 ppm2=3.415 assign ( resid 46 and name HD*) ( resid 46 and name HE*) 2.5 0.5 0.5 volume=6.799 peak=115 ppm1=6.927 ppm2=6.816 assign ( resid 88 and name HH2) ( resid 86 and name HB2) 4.7 0.9 0.9 volume=0.175 peak=13 ppm1=7.050 ppm2=2.421 assign ( resid 20 and name HE*) ( resid 20 and name HA) 3.7 0.7 0.7 volume=0.717 peak=137 ppm1=6.381 ppm2=4.456 assign ( resid 2 and name HD2) ( resid 2 and name HA) 3.8 0.8 0.8 volume=0.646 peak=363 ppm1=7.069 ppm2=4.622 assign ( resid 48 and name HE3) ( resid 48 and name HZ3) 3.1 0.6 0.6 volume=2.030 peak=287 ppm1=7.543 ppm2=7.172 assign ( resid 20 and name HE*) ( resid 20 and name H) 4.3 0.9 0.9 volume=0.300 peak=352 ppm1=6.381 ppm2=8.988 assign ( resid 20 and name HE*) ( resid 20 and name HB2) 3.3 0.7 0.7 volume=1.463 peak=24 ppm1=6.380 ppm2=2.006 assign ( resid 97 and name HD1) ( resid 95 and name HB2) 3.5 0.7 0.7 volume=1.014 peak=66 ppm1=7.449 ppm2=2.581 assign ( resid 19 and name HD*) ( resid 19 and name HA) 3.0 0.6 0.6 volume=2.413 peak=32 ppm1=6.865 ppm2=5.351 assign ( resid 78 and name HE3) ( resid 78 and name HZ3) 3.2 0.6 0.6 volume=1.759 peak=216 ppm1=7.446 ppm2=6.685 assign ( resid 45 and name HE*) ( resid 45 and name HZ) 3.0 0.6 0.6 volume=2.643 peak=227 ppm1=7.147 ppm2=6.896 assign ( resid 16 and name HD2) ( resid 16 and name HA) 3.9 0.8 0.8 volume=0.502 peak=296 ppm1=4.382 ppm2=4.963 assign ( resid 88 and name HD1) ( resid 89 and name HB3) 3.2 0.6 0.6 volume=1.629 peak=141 ppm1=7.045 ppm2=1.612 assign ( resid 45 and name HE*) ( resid 81 and name HG2*) 3.5 0.7 0.7 volume=1.070 peak=15 ppm1=7.145 ppm2=0.663 assign ( resid 20 and name HD*) ( resid 20 and name H) 3.8 0.8 0.8 volume=0.615 peak=30 ppm1=6.201 ppm2=8.992 assign ( resid 84 and name HD2) ( resid 73 and name HH2) 3.8 0.8 0.8 volume=0.582 peak=53 ppm1=6.917 ppm2=7.133 assign ( resid 2 and name HD2) ( resid 2 and name HB3) 3.3 0.7 0.7 volume=1.511 peak=163 ppm1=7.074 ppm2=3.071 assign ( resid 88 and name HE3) ( resid 87 and name HB3) 4.3 0.9 0.9 volume=0.280 peak=322 ppm1=8.017 ppm2=2.727 assign ( resid 88 and name HH2) ( resid 88 and name HE3) 3.1 0.6 0.6 volume=2.238 peak=16 ppm1=7.052 ppm2=8.021 assign ( resid 117 and name HE*) ( resid 117 and name HZ) 3.4 0.7 0.7 volume=1.091 peak=343 ppm1=7.397 ppm2=7.138 assign ( resid 97 and name HE3) ( resid 36 and name HG3) 4.0 0.8 0.8 volume=0.481 peak=319 ppm1=7.977 ppm2=2.018 assign ( resid 97 and name HH2) ( resid 97 and name HZ3) 3.1 0.6 0.6 volume=2.174 peak=147 ppm1=7.202 ppm2=6.860 assign ( resid 103 and name HD2) ( resid 103 and name HA) 3.6 0.7 0.7 volume=0.869 peak=351 ppm1=7.208 ppm2=5.126 assign ( resid 97 and name HZ3) ( resid 39 and name HB2) 4.2 0.8 0.8 volume=0.315 peak=12 ppm1=6.859 ppm2=2.011 assign ( resid 103 and name HD2) ( resid 66 and name HE*) 3.6 0.7 0.7 volume=0.802 peak=78 ppm1=7.209 ppm2=6.005 assign ( resid 7 and name HE*) ( resid 9 and name HA) 4.0 0.8 0.8 volume=0.424 peak=368 ppm1=6.314 ppm2=5.769 assign ( resid 73 and name HZ2) ( resid 56 and name HD1*) 4.6 0.9 0.9 volume=0.186 peak=202 ppm1=7.231 ppm2=-0.685 assign ( resid 84 and name HD2) ( resid 73 and name HE3) 3.8 0.8 0.8 volume=0.597 peak=261 ppm1=6.918 ppm2=7.626 assign ( resid 97 and name HE3) ( resid 97 and name HZ2) 4.3 0.9 0.9 volume=0.278 peak=281 ppm1=7.984 ppm2=7.468 assign ( resid 84 and name HE1) ( resid 70 and name HG1*) 4.0 0.8 0.8 volume=0.481 peak=47 ppm1=7.958 ppm2=0.778 assign ( resid 7 and name HD*) ( resid 4 and name HA) 3.8 0.8 0.8 volume=0.576 peak=114 ppm1=6.636 ppm2=4.301 assign ( resid 66 and name HE*) ( resid 66 and name HB2) 3.7 0.7 0.7 volume=0.766 peak=132 ppm1=5.993 ppm2=2.887 assign ( resid 129 and name HE*) ( resid 129 and name H) 4.6 0.9 0.9 volume=0.185 peak=155 ppm1=7.255 ppm2=8.841 assign ( resid 78 and name HE3) ( resid 78 and name HH2) 3.5 0.7 0.7 volume=0.961 peak=288 ppm1=7.447 ppm2=6.897 assign ( resid 88 and name HZ2) ( resid 70 and name HG1*) 4.4 0.9 0.9 volume=0.257 peak=23 ppm1=7.911 ppm2=0.775 assign ( resid 46 and name HE*) ( resid 125 and name HG3) 3.5 0.7 0.7 volume=0.943 peak=372 ppm1=6.815 ppm2=2.171 assign ( resid 97 and name HH2) ( resid 36 and name HG3) 3.7 0.7 0.7 volume=0.675 peak=54 ppm1=7.198 ppm2=2.013 assign ( resid 72 and name HE*) ( resid 72 and name HD*) 3.2 0.6 0.6 volume=1.648 peak=320 ppm1=6.499 ppm2=5.762 assign ( resid 20 and name HE*) ( resid 127 and name HD2*) 3.4 0.7 0.7 volume=1.265 peak=330 ppm1=6.382 ppm2=0.824 assign ( resid 88 and name HH2) ( resid 86 and name HA) 4.0 0.8 0.8 volume=0.440 peak=272 ppm1=7.053 ppm2=3.635 assign ( resid 73 and name HZ3) ( resid 56 and name HD2*) 4.2 0.8 0.8 volume=0.319 peak=160 ppm1=6.839 ppm2=-0.086 assign ( resid 97 and name HE3) ( resid 97 and name HB2) 3.8 0.8 0.8 volume=0.618 peak=341 ppm1=7.982 ppm2=3.212 assign ( resid 18 and name HZ3) ( resid 25 and name HG2*) 4.3 0.9 0.9 volume=0.309 peak=145 ppm1=7.235 ppm2=0.696 assign ( resid 78 and name HZ3) ( resid 77 and name HB3) 4.6 0.9 0.9 volume=0.198 peak=190 ppm1=6.659 ppm2=2.511 assign ( resid 129 and name HD*) ( resid 129 and name HB3) 2.8 0.6 0.6 volume=3.946 peak=233 ppm1=7.181 ppm2=3.199 assign ( resid 129 and name HE*) ( resid 9 and name HA) 4.3 0.9 0.9 volume=0.290 peak=65 ppm1=7.261 ppm2=5.772 assign ( resid 48 and name HZ3) ( resid 48 and name HB3) 4.3 0.9 0.9 volume=0.300 peak=358 ppm1=7.176 ppm2=3.530 assign ( resid 129 and name HD*) ( resid 9 and name HG3) 3.4 0.7 0.7 volume=1.126 peak=173 ppm1=7.181 ppm2=2.668 assign ( resid 45 and name HZ) ( resid 41 and name HB3) 3.9 0.8 0.8 volume=0.503 peak=226 ppm1=6.876 ppm2=2.256 assign ( resid 7 and name HD*) ( resid 6 and name HA) 3.6 0.7 0.7 volume=0.830 peak=317 ppm1=6.639 ppm2=5.226 assign ( resid 84 and name HE1) ( resid 56 and name HD2*) 4.4 0.9 0.9 volume=0.248 peak=5 ppm1=7.963 ppm2=-0.085 assign ( resid 88 and name HZ2) ( resid 88 and name HD1) 3.5 0.7 0.7 volume=0.972 peak=10 ppm1=7.915 ppm2=7.060 assign ( resid 129 and name HZ) ( resid 9 and name HB3) 3.8 0.8 0.8 volume=0.647 peak=117 ppm1=7.240 ppm2=2.585 assign ( resid 103 and name HE1) ( resid 66 and name HE*) 3.9 0.8 0.8 volume=0.492 peak=178 ppm1=7.792 ppm2=6.005 assign ( resid 48 and name HD1) ( resid 48 and name HB3) 3.7 0.7 0.7 volume=0.661 peak=323 ppm1=6.478 ppm2=3.536 assign ( resid 7 and name HE*) ( resid 127 and name HD2*) 3.4 0.7 0.7 volume=1.290 peak=113 ppm1=6.318 ppm2=0.844 assign ( resid 18 and name HE3) ( resid 18 and name HB3) 4.0 0.8 0.8 volume=0.476 peak=110 ppm1=7.906 ppm2=3.297 assign ( resid 19 and name HD*) ( resid 19 and name H) 4.0 0.8 0.8 volume=0.442 peak=326 ppm1=6.867 ppm2=9.189 assign ( resid 72 and name HE*) ( resid 72 and name HB2) 3.3 0.7 0.7 volume=1.533 peak=34 ppm1=6.497 ppm2=2.727 assign ( resid 103 and name HE1) ( resid 103 and name HD2) 4.4 0.9 0.9 volume=0.252 peak=101 ppm1=7.790 ppm2=7.216 assign ( resid 46 and name HD*) ( resid 125 and name HB3) 3.6 0.7 0.7 volume=0.854 peak=357 ppm1=6.921 ppm2=1.933 assign ( resid 66 and name HD*) ( resid 103 and name HE1) 4.2 0.8 0.8 volume=0.348 peak=165 ppm1=6.303 ppm2=7.804 assign ( resid 7 and name HD*) ( resid 7 and name HE*) 2.5 0.5 0.5 volume=7.305 peak=172 ppm1=6.638 ppm2=6.331 assign ( resid 84 and name HD2) ( resid 105 and name HA) 3.8 0.8 0.8 volume=0.575 peak=185 ppm1=6.918 ppm2=4.711 assign ( resid 20 and name HE*) ( resid 20 and name HD*) 2.4 0.5 0.5 volume=8.609 peak=120 ppm1=6.381 ppm2=6.207 assign ( resid 19 and name HE*) ( resid 19 and name HB2) 3.3 0.7 0.7 volume=1.340 peak=116 ppm1=6.502 ppm2=2.571 assign ( resid 18 and name HE3) ( resid 18 and name HH2) 3.5 0.7 0.7 volume=0.920 peak=93 ppm1=7.914 ppm2=7.363 assign ( resid 78 and name HH2) ( resid 78 and name HZ3) 2.9 0.6 0.6 volume=2.925 peak=250 ppm1=6.867 ppm2=6.688 assign ( resid 66 and name HE*) ( resid 103 and name HD2) 3.9 0.8 0.8 volume=0.518 peak=38 ppm1=5.993 ppm2=7.217 assign ( resid 88 and name HD1) ( resid 88 and name HA) 3.5 0.7 0.7 volume=0.985 peak=2 ppm1=7.045 ppm2=4.658 assign ( resid 7 and name HD*) ( resid 7 and name HA) 3.4 0.7 0.7 volume=1.283 peak=95 ppm1=6.637 ppm2=5.089 assign ( resid 97 and name HH2) ( resid 36 and name HG2) 3.8 0.8 0.8 volume=0.566 peak=380 ppm1=7.200 ppm2=1.848 assign ( resid 84 and name HD2) ( resid 84 and name HA) 4.2 0.8 0.8 volume=0.350 peak=293 ppm1=6.921 ppm2=5.665 assign ( resid 103 and name HD2) ( resid 103 and name HB2) 3.3 0.7 0.7 volume=1.432 peak=333 ppm1=7.208 ppm2=3.688 assign ( resid 20 and name HE*) ( resid 25 and name HG2*) 3.0 0.6 0.6 volume=2.561 peak=83 ppm1=6.380 ppm2=0.680 assign ( resid 92 and name HD*) ( resid 92 and name HB2) 3.1 0.6 0.6 volume=2.060 peak=270 ppm1=6.757 ppm2=2.578 assign ( resid 45 and name HZ) ( resid 45 and name HD*) 3.1 0.6 0.6 volume=2.183 peak=149 ppm1=6.878 ppm2=7.135 assign ( resid 20 and name HD*) ( resid 8 and name HA) 3.8 0.8 0.8 volume=0.582 peak=97 ppm1=6.204 ppm2=5.310 assign ( resid 129 and name HE*) ( resid 129 and name HB3) 3.5 0.7 0.7 volume=1.070 peak=218 ppm1=7.257 ppm2=3.197 assign ( resid 20 and name HD*) ( resid 20 and name HA) 3.3 0.7 0.7 volume=1.368 peak=35 ppm1=6.202 ppm2=4.455 assign ( resid 88 and name HZ3) ( resid 70 and name HG1*) 3.4 0.7 0.7 volume=1.176 peak=92 ppm1=7.518 ppm2=0.777 assign ( resid 88 and name HE3) ( resid 87 and name HB2) 4.4 0.9 0.9 volume=0.263 peak=99 ppm1=8.017 ppm2=2.957 assign ( resid 16 and name HD2) ( resid 16 and name HB3) 3.5 0.7 0.7 volume=1.046 peak=174 ppm1=4.382 ppm2=2.493 assign ( resid 97 and name HZ2) ( resid 97 and name HZ3) 4.2 0.8 0.8 volume=0.336 peak=249 ppm1=7.448 ppm2=6.859 assign ( resid 73 and name HD1) ( resid 73 and name HB2) 3.2 0.6 0.6 volume=1.673 peak=340 ppm1=7.065 ppm2=3.049 assign ( resid 88 and name HZ2) ( resid 88 and name HE3) 3.0 0.6 0.6 volume=2.652 peak=123 ppm1=7.918 ppm2=8.020 assign ( resid 97 and name HD1) ( resid 96 and name HA) 4.3 0.9 0.9 volume=0.277 peak=126 ppm1=7.452 ppm2=3.872 assign ( resid 103 and name HD2) ( resid 38 and name HB) 4.3 0.9 0.9 volume=0.289 peak=284 ppm1=7.205 ppm2=4.346 assign ( resid 18 and name HE3) ( resid 18 and name H) 4.3 0.9 0.9 volume=0.271 peak=373 ppm1=7.916 ppm2=9.639 assign ( resid 88 and name HZ3) ( resid 88 and name HZ2) 3.6 0.7 0.7 volume=0.824 peak=81 ppm1=7.516 ppm2=7.917 assign ( resid 66 and name HD*) ( resid 66 and name HB3) 2.9 0.6 0.6 volume=3.323 peak=379 ppm1=6.302 ppm2=2.566 assign ( resid 18 and name HH2) ( resid 16 and name HB3) 3.7 0.7 0.7 volume=0.691 peak=266 ppm1=7.361 ppm2=2.503 assign ( resid 97 and name HE3) ( resid 36 and name HD2) 4.3 0.9 0.9 volume=0.296 peak=48 ppm1=7.975 ppm2=4.035 assign ( resid 48 and name HD1) ( resid 47 and name HA) 4.0 0.8 0.8 volume=0.428 peak=70 ppm1=6.471 ppm2=4.035 assign ( resid 88 and name HE3) ( resid 88 and name HB3) 3.2 0.6 0.6 volume=1.580 peak=71 ppm1=8.020 ppm2=3.354 assign ( resid 78 and name HD1) ( resid 78 and name HE3) 4.1 0.8 0.8 volume=0.414 peak=33 ppm1=6.946 ppm2=7.448 assign ( resid 73 and name HH2) ( resid 73 and name HE3) 4.1 0.8 0.8 volume=0.383 peak=169 ppm1=7.133 ppm2=7.618 assign ( resid 84 and name HD2) ( resid 84 and name HE1) 4.6 0.9 0.9 volume=0.204 peak=309 ppm1=6.904 ppm2=8.001 assign ( resid 20 and name HD*) ( resid 18 and name HB3) 3.4 0.7 0.7 volume=1.265 peak=44 ppm1=6.202 ppm2=3.270 assign ( resid 84 and name HD2) ( resid 70 and name HG1*) 4.0 0.8 0.8 volume=0.422 peak=307 ppm1=6.924 ppm2=0.779 assign ( resid 18 and name HH2) ( resid 11 and name HB2) 3.5 0.7 0.7 volume=1.009 peak=382 ppm1=7.362 ppm2=2.844 assign ( resid 20 and name HE*) ( resid 18 and name HB2) 2.9 0.6 0.6 volume=2.806 peak=236 ppm1=6.380 ppm2=2.632 assign ( resid 88 and name HZ3) ( resid 70 and name HG2*) 4.6 0.9 0.9 volume=0.192 peak=337 ppm1=7.514 ppm2=0.515 assign ( resid 46 and name HE*) ( resid 125 and name HB3) 3.6 0.7 0.7 volume=0.797 peak=267 ppm1=6.816 ppm2=1.918 assign ( resid 84 and name HD2) ( resid 70 and name HG2*) 4.1 0.8 0.8 volume=0.382 peak=49 ppm1=6.917 ppm2=0.527 assign ( resid 97 and name HD1) ( resid 95 and name HA) 3.2 0.6 0.6 volume=1.758 peak=194 ppm1=7.449 ppm2=5.169 assign ( resid 20 and name HD*) ( resid 20 and name HB2) 3.0 0.6 0.6 volume=2.501 peak=360 ppm1=6.201 ppm2=1.997 assign ( resid 78 and name HZ3) ( resid 78 and name HZ2) 3.0 0.6 0.6 volume=2.293 peak=140 ppm1=6.668 ppm2=6.896 assign ( resid 78 and name HE3) ( resid 78 and name HA) 3.7 0.7 0.7 volume=0.683 peak=316 ppm1=7.449 ppm2=5.171 assign ( resid 66 and name HD*) ( resid 66 and name HB2) 2.9 0.6 0.6 volume=3.398 peak=235 ppm1=6.302 ppm2=2.888 assign ( resid 72 and name HE*) ( resid 72 and name HB3) 3.2 0.6 0.6 volume=1.832 peak=195 ppm1=6.497 ppm2=2.440 assign ( resid 48 and name HD1) ( resid 76 and name HA) 3.4 0.7 0.7 volume=1.175 peak=305 ppm1=6.476 ppm2=5.596 assign ( resid 88 and name HD1) ( resid 88 and name HB3) 3.1 0.6 0.6 volume=1.910 peak=375 ppm1=7.044 ppm2=3.345 assign ( resid 129 and name HD*) ( resid 127 and name HB3) 3.2 0.6 0.6 volume=1.842 peak=359 ppm1=7.182 ppm2=1.860 assign ( resid 73 and name HD1) ( resid 56 and name HD1*) 4.1 0.8 0.8 volume=0.389 peak=325 ppm1=7.065 ppm2=-0.678 assign ( resid 73 and name HE3) ( resid 73 and name HA) 3.8 0.8 0.8 volume=0.584 peak=370 ppm1=7.608 ppm2=5.734 assign ( resid 2 and name HE1) ( resid 2 and name HD2) 4.3 0.9 0.9 volume=0.294 peak=98 ppm1=8.167 ppm2=7.077 assign ( resid 103 and name HE1) ( resid 60 and name HA) 3.8 0.8 0.8 volume=0.606 peak=74 ppm1=7.793 ppm2=4.908 assign ( resid 129 and name HE*) ( resid 127 and name HB3) 3.5 0.7 0.7 volume=1.011 peak=378 ppm1=7.253 ppm2=1.858 assign ( resid 45 and name HD*) ( resid 45 and name HA) 3.3 0.7 0.7 volume=1.499 peak=234 ppm1=7.132 ppm2=5.057 assign ( resid 97 and name HE3) ( resid 36 and name HA) 4.0 0.8 0.8 volume=0.479 peak=364 ppm1=7.982 ppm2=4.366 assign ( resid 48 and name HZ3) ( resid 48 and name HH2) 2.8 0.6 0.6 volume=3.993 peak=29 ppm1=7.175 ppm2=7.242 assign ( resid 88 and name HD1) ( resid 89 and name HA) 4.0 0.8 0.8 volume=0.477 peak=57 ppm1=7.043 ppm2=5.218 assign ( resid 88 and name HE3) ( resid 70 and name HG1*) 3.9 0.8 0.8 volume=0.531 peak=304 ppm1=8.020 ppm2=0.779 assign ( resid 129 and name HD*) ( resid 129 and name HB2) 2.8 0.6 0.6 volume=3.703 peak=349 ppm1=7.181 ppm2=2.986 assign ( resid 19 and name HE*) ( resid 116 and name HD2*) 3.3 0.7 0.7 volume=1.357 peak=156 ppm1=6.501 ppm2=0.620 assign ( resid 46 and name HD*) ( resid 46 and name HB2) 3.1 0.6 0.6 volume=2.151 peak=308 ppm1=6.924 ppm2=2.771 assign ( resid 46 and name HD*) ( resid 46 and name HA) 3.3 0.7 0.7 volume=1.314 peak=347 ppm1=6.924 ppm2=5.166 assign ( resid 97 and name HH2) ( resid 97 and name HZ2) 2.8 0.6 0.6 volume=4.146 peak=151 ppm1=7.202 ppm2=7.467 assign ( resid 46 and name HD*) ( resid 125 and name HD2) 3.7 0.7 0.7 volume=0.686 peak=302 ppm1=6.923 ppm2=4.461 assign ( resid 16 and name HD2) ( resid 16 and name HB2) 3.5 0.7 0.7 volume=1.001 peak=383 ppm1=4.381 ppm2=2.686 assign ( resid 19 and name HD*) ( resid 19 and name HE*) 2.8 0.6 0.6 volume=3.814 peak=311 ppm1=6.865 ppm2=6.513 assign ( resid 66 and name HE*) ( resid 58 and name HA2) 3.5 0.7 0.7 volume=1.020 peak=180 ppm1=5.992 ppm2=3.901 assign ( resid 20 and name HD*) ( resid 25 and name HG2*) 3.3 0.7 0.7 volume=1.365 peak=84 ppm1=6.200 ppm2=0.678 assign ( resid 88 and name HZ2) ( resid 86 and name HB3) 4.5 0.9 0.9 volume=0.212 peak=94 ppm1=7.915 ppm2=2.201 assign ( resid 117 and name HE*) ( resid 117 and name HD*) 3.4 0.7 0.7 volume=1.093 peak=214 ppm1=7.400 ppm2=6.962 assign ( resid 88 and name HE3) ( resid 88 and name HB2) 3.3 0.7 0.7 volume=1.408 peak=121 ppm1=8.018 ppm2=3.459 assign ( resid 78 and name HE3) ( resid 78 and name HB3) 3.7 0.7 0.7 volume=0.755 peak=73 ppm1=7.447 ppm2=3.509 assign ( resid 84 and name HD2) ( resid 105 and name HB2) 3.5 0.7 0.7 volume=1.051 peak=159 ppm1=6.920 ppm2=2.955 assign ( resid 48 and name HD1) ( resid 48 and name HB2) 3.6 0.7 0.7 volume=0.812 peak=91 ppm1=6.475 ppm2=2.773 assign ( resid 103 and name HD2) ( resid 103 and name HE1) 4.9 1.0 1.0 volume=0.135 peak=229 ppm1=7.209 ppm2=7.798 assign ( resid 20 and name HD*) ( resid 19 and name HA) 3.9 0.8 0.8 volume=0.495 peak=128 ppm1=6.201 ppm2=5.376 assign ( resid 19 and name HD*) ( resid 116 and name HD1*) 3.6 0.7 0.7 volume=0.854 peak=27 ppm1=6.865 ppm2=0.386 assign ( resid 92 and name HD*) ( resid 92 and name HE*) 3.2 0.6 0.6 volume=1.564 peak=257 ppm1=6.756 ppm2=6.347 assign ( resid 97 and name HH2) ( resid 97 and name HE3) 4.0 0.8 0.8 volume=0.449 peak=192 ppm1=7.200 ppm2=7.991 assign ( resid 92 and name HD*) ( resid 32 and name HG1*) 3.2 0.6 0.6 volume=1.800 peak=142 ppm1=6.756 ppm2=1.017 assign ( resid 18 and name HH2) ( resid 16 and name HB2) 3.7 0.7 0.7 volume=0.709 peak=346 ppm1=7.357 ppm2=2.673 assign ( resid 66 and name HE*) ( resid 58 and name HA3) 3.1 0.6 0.6 volume=2.101 peak=181 ppm1=5.993 ppm2=3.367 assign ( resid 97 and name HZ2) ( resid 98 and name HG2) 4.7 0.9 0.9 volume=0.179 peak=8 ppm1=7.451 ppm2=-0.177 assign ( resid 84 and name HD2) ( resid 84 and name HB3) 3.8 0.8 0.8 volume=0.654 peak=209 ppm1=6.916 ppm2=3.932 assign ( resid 18 and name HZ3) ( resid 18 and name HE3) 3.4 0.7 0.7 volume=1.288 peak=283 ppm1=7.243 ppm2=7.918 assign ( resid 129 and name HE*) ( resid 127 and name HD2*) 3.2 0.6 0.6 volume=1.739 peak=260 ppm1=7.256 ppm2=0.844 assign ( resid 117 and name HD*) ( resid 117 and name HB2) 3.1 0.6 0.6 volume=2.186 peak=298 ppm1=6.950 ppm2=2.439 assign ( resid 20 and name HE*) ( resid 18 and name HD1) 3.9 0.8 0.8 volume=0.525 peak=238 ppm1=6.382 ppm2=6.958 assign ( resid 73 and name HZ3) ( resid 73 and name HH2) 3.6 0.7 0.7 volume=0.871 peak=148 ppm1=6.842 ppm2=7.135 assign ( resid 129 and name HE*) ( resid 20 and name HE*) 4.2 0.8 0.8 volume=0.315 peak=280 ppm1=7.257 ppm2=6.376 assign ( resid 46 and name HE*) ( resid 46 and name HB3) 3.4 0.7 0.7 volume=1.262 peak=187 ppm1=6.818 ppm2=2.432 assign ( resid 103 and name HE1) ( resid 66 and name HD*) 3.8 0.8 0.8 volume=0.634 peak=336 ppm1=7.790 ppm2=6.315 assign ( resid 78 and name HD1) ( resid 78 and name HB2) 3.2 0.6 0.6 volume=1.862 peak=139 ppm1=6.943 ppm2=3.106 assign ( resid 46 and name HE*) ( resid 44 and name HG1*) 3.4 0.7 0.7 volume=1.141 peak=67 ppm1=6.815 ppm2=0.816 assign ( resid 88 and name HZ3) ( resid 56 and name HD2*) 4.8 1.0 1.0 volume=0.154 peak=348 ppm1=7.516 ppm2=-0.097 assign ( resid 88 and name HH2) ( resid 56 and name HD2*) 4.4 0.9 0.9 volume=0.260 peak=279 ppm1=7.056 ppm2=-0.091 assign ( resid 20 and name HD*) ( resid 20 and name HE*) 2.5 0.5 0.5 volume=7.099 peak=254 ppm1=6.202 ppm2=6.383 assign ( resid 66 and name HD*) ( resid 66 and name HE*) 2.5 0.5 0.5 volume=8.158 peak=41 ppm1=6.302 ppm2=6.006 assign ( resid 18 and name HH2) ( resid 18 and name HZ2) 2.7 0.5 0.5 volume=5.104 peak=19 ppm1=7.363 ppm2=7.458 assign ( resid 73 and name HZ3) ( resid 73 and name HZ2) 3.5 0.7 0.7 volume=0.967 peak=184 ppm1=6.844 ppm2=7.229 assign ( resid 66 and name HE*) ( resid 66 and name HB3) 3.7 0.7 0.7 volume=0.731 peak=122 ppm1=5.993 ppm2=2.567 assign ( resid 18 and name HD1) ( resid 18 and name HB3) 3.3 0.7 0.7 volume=1.315 peak=64 ppm1=6.962 ppm2=3.289 assign ( resid 46 and name HE*) ( resid 46 and name HB2) 3.4 0.7 0.7 volume=1.091 peak=72 ppm1=6.815 ppm2=2.775 assign ( resid 18 and name HZ3) ( resid 20 and name HE*) 4.6 0.9 0.9 volume=0.189 peak=345 ppm1=7.237 ppm2=6.393 assign ( resid 46 and name HD*) ( resid 125 and name HG3) 3.5 0.7 0.7 volume=1.085 peak=303 ppm1=6.928 ppm2=2.166 assign ( resid 66 and name HE*) ( resid 56 and name HD2*) 4.5 0.9 0.9 volume=0.224 peak=138 ppm1=5.989 ppm2=-0.082 assign ( resid 66 and name HE*) ( resid 103 and name HE1) 4.4 0.9 0.9 volume=0.271 peak=245 ppm1=5.987 ppm2=7.802 assign ( resid 45 and name HE*) ( resid 45 and name HA) 3.9 0.8 0.8 volume=0.535 peak=60 ppm1=7.145 ppm2=5.054 assign ( resid 19 and name HD*) ( resid 120 and name HG1*) 3.7 0.7 0.7 volume=0.719 peak=191 ppm1=6.864 ppm2=0.165 assign ( resid 46 and name HD*) ( resid 46 and name HB3) 2.9 0.6 0.6 volume=2.877 peak=253 ppm1=6.931 ppm2=2.446 assign ( resid 97 and name HZ3) ( resid 36 and name HA) 4.2 0.8 0.8 volume=0.324 peak=177 ppm1=6.852 ppm2=4.369 assign ( resid 97 and name HD1) ( resid 97 and name HB2) 3.8 0.8 0.8 volume=0.586 peak=7 ppm1=7.454 ppm2=3.210 assign ( resid 92 and name HD*) ( resid 92 and name HB3) 3.3 0.7 0.7 volume=1.478 peak=290 ppm1=6.756 ppm2=2.318 assign ( resid 48 and name HE3) ( resid 48 and name HB2) 3.9 0.8 0.8 volume=0.500 peak=339 ppm1=7.545 ppm2=2.766 assign ( resid 20 and name HD*) ( resid 20 and name HB3) 3.0 0.6 0.6 volume=2.607 peak=168 ppm1=6.206 ppm2=1.883 assign ( resid 18 and name HE3) ( resid 18 and name HZ3) 3.2 0.6 0.6 volume=1.577 peak=367 ppm1=7.906 ppm2=7.270 assign ( resid 73 and name HH2) ( resid 73 and name HZ3) 3.2 0.6 0.6 volume=1.858 peak=3 ppm1=7.132 ppm2=6.861 assign ( resid 45 and name HD*) ( resid 76 and name HG2*) 3.1 0.6 0.6 volume=1.916 peak=256 ppm1=7.135 ppm2=0.633 assign ( resid 97 and name HZ3) ( resid 39 and name HB3) 4.4 0.9 0.9 volume=0.255 peak=89 ppm1=6.864 ppm2=1.845 assign ( resid 20 and name HD*) ( resid 127 and name HD2*) 3.7 0.7 0.7 volume=0.773 peak=17 ppm1=6.203 ppm2=0.822 assign ( resid 46 and name HE*) ( resid 125 and name HD3) 3.9 0.8 0.8 volume=0.542 peak=220 ppm1=6.813 ppm2=4.317 assign ( resid 92 and name HD*) ( resid 92 and name HA) 3.1 0.6 0.6 volume=2.114 peak=377 ppm1=6.757 ppm2=4.457 assign ( resid 84 and name HE1) ( resid 86 and name HA) 4.0 0.8 0.8 volume=0.469 peak=212 ppm1=7.957 ppm2=3.630 assign ( resid 18 and name HZ3) ( resid 18 and name HB3) 4.5 0.9 0.9 volume=0.236 peak=58 ppm1=7.233 ppm2=3.301 assign ( resid 18 and name HZ2) ( resid 18 and name HE1) 6.8 1.4 1.2 volume=0.019 peak=186 ppm1=7.468 ppm2=10.290 assign ( resid 20 and name HE*) ( resid 19 and name HA) 4.0 0.8 0.8 volume=0.449 peak=50 ppm1=6.377 ppm2=5.347 assign ( resid 129 and name HD*) ( resid 127 and name HG) 3.1 0.6 0.6 volume=2.180 peak=88 ppm1=7.181 ppm2=1.765 assign ( resid 7 and name HE*) ( resid 7 and name HA) 4.1 0.8 0.8 volume=0.406 peak=314 ppm1=6.315 ppm2=5.082 assign ( resid 97 and name HH2) ( resid 36 and name HA) 3.9 0.8 0.8 volume=0.517 peak=295 ppm1=7.201 ppm2=4.395 assign ( resid 48 and name HE3) ( resid 48 and name HH2) 3.1 0.6 0.6 volume=2.231 peak=125 ppm1=7.547 ppm2=7.243 assign ( resid 48 and name HD1) ( resid 48 and name HA) 4.0 0.8 0.8 volume=0.472 peak=39 ppm1=6.471 ppm2=4.893 assign ( resid 78 and name HE3) ( resid 77 and name HA) 3.8 0.8 0.8 volume=0.599 peak=274 ppm1=7.447 ppm2=4.692 assign ( resid 97 and name HD1) ( resid 98 and name HB3) 4.5 0.9 0.9 volume=0.216 peak=231 ppm1=7.450 ppm2=1.437 assign ( resid 73 and name HZ3) ( resid 82 and name HA3) 3.8 0.8 0.8 volume=0.569 peak=166 ppm1=6.838 ppm2=3.941 assign ( resid 129 and name HE*) ( resid 11 and name HA) 3.7 0.7 0.7 volume=0.751 peak=80 ppm1=7.257 ppm2=4.247 assign ( resid 117 and name HD*) ( resid 113 and name HE*) 3.3 0.7 0.7 volume=1.311 peak=297 ppm1=6.949 ppm2=2.083 assign ( resid 48 and name HZ3) ( resid 49 and name HB2) 3.9 0.8 0.8 volume=0.509 peak=273 ppm1=7.176 ppm2=2.623 assign ( resid 7 and name HD*) ( resid 6 and name HG2*) 3.5 0.7 0.7 volume=0.968 peak=365 ppm1=6.636 ppm2=1.586 assign ( resid 7 and name HD*) ( resid 8 and name H) 4.0 0.8 0.8 volume=0.483 peak=210 ppm1=6.646 ppm2=9.237 assign ( resid 78 and name HD1) ( resid 78 and name HB3) 3.3 0.7 0.7 volume=1.524 peak=353 ppm1=6.945 ppm2=3.498 assign ( resid 129 and name HD*) ( resid 127 and name HD2*) 2.8 0.6 0.6 volume=3.503 peak=344 ppm1=7.180 ppm2=0.840 assign ( resid 2 and name HE1) ( resid 127 and name HD1*) 4.3 0.9 0.9 volume=0.283 peak=85 ppm1=8.170 ppm2=0.840 assign ( resid 16 and name HD2) ( resid 16 and name HE1) 4.3 0.9 0.9 volume=0.277 peak=301 ppm1=4.379 ppm2=8.391 assign ( resid 73 and name HD1) ( resid 70 and name HG2*) 3.8 0.8 0.8 volume=0.607 peak=154 ppm1=7.064 ppm2=0.520 assign ( resid 78 and name HZ3) ( resid 78 and name HE3) 3.4 0.7 0.7 volume=1.253 peak=223 ppm1=6.669 ppm2=7.465 assign ( resid 18 and name HD1) ( resid 25 and name HG2*) 2.8 0.6 0.6 volume=3.794 peak=136 ppm1=6.960 ppm2=0.696 assign ( resid 20 and name HE*) ( resid 9 and name HA) 4.2 0.8 0.8 volume=0.354 peak=258 ppm1=6.373 ppm2=5.776 assign ( resid 88 and name HE3) ( resid 88 and name HA) 3.6 0.7 0.7 volume=0.862 peak=130 ppm1=8.019 ppm2=4.663 assign ( resid 88 and name HZ3) ( resid 88 and name HH2) 3.3 0.7 0.7 volume=1.403 peak=331 ppm1=7.518 ppm2=7.061 assign ( resid 73 and name HZ2) ( resid 75 and name HG3) 4.3 0.9 0.9 volume=0.275 peak=56 ppm1=7.230 ppm2=0.776 assign ( resid 45 and name HE*) ( resid 76 and name HD1*) 4.0 0.8 0.8 volume=0.439 peak=208 ppm1=7.153 ppm2=0.152 assign ( resid 129 and name HE*) ( resid 129 and name HA) 4.0 0.8 0.8 volume=0.432 peak=42 ppm1=7.260 ppm2=4.832 assign ( resid 46 and name HE*) ( resid 46 and name HD*) 2.3 0.5 0.5 volume=12.485 peak=9 ppm1=6.817 ppm2=6.930 assign ( resid 88 and name HZ3) ( resid 69 and name HG3) 4.4 0.9 0.9 volume=0.255 peak=292 ppm1=7.514 ppm2=2.181 assign ( resid 7 and name HD*) ( resid 127 and name HD2*) 3.2 0.6 0.6 volume=1.800 peak=161 ppm1=6.638 ppm2=0.843 assign ( resid 45 and name HE*) ( resid 45 and name HB3) 3.2 0.6 0.6 volume=1.838 peak=135 ppm1=7.148 ppm2=2.464 assign ( resid 2 and name HD2) ( resid 4 and name HG2) 4.5 0.9 0.9 volume=0.232 peak=356 ppm1=7.075 ppm2=2.243 assign ( resid 73 and name HH2) ( resid 81 and name HA) 4.0 0.8 0.8 volume=0.428 peak=222 ppm1=7.136 ppm2=4.295 assign ( resid 66 and name HE*) ( resid 56 and name HB3) 3.8 0.8 0.8 volume=0.651 peak=43 ppm1=5.991 ppm2=1.150 assign ( resid 88 and name HH2) ( resid 88 and name HZ2) 3.1 0.6 0.6 volume=1.953 peak=55 ppm1=7.059 ppm2=7.917 assign ( resid 20 and name HE*) ( resid 20 and name HB3) 3.2 0.6 0.6 volume=1.794 peak=162 ppm1=6.380 ppm2=1.903 assign ( resid 66 and name HE*) ( resid 60 and name HA) 3.4 0.7 0.7 volume=1.211 peak=189 ppm1=5.993 ppm2=4.920 assign ( resid 48 and name HE3) ( resid 49 and name HB2) 3.7 0.7 0.7 volume=0.698 peak=252 ppm1=7.544 ppm2=2.626 assign ( resid 19 and name HE*) ( resid 120 and name HG1*) 3.5 0.7 0.7 volume=0.944 peak=204 ppm1=6.503 ppm2=0.169 assign ( resid 73 and name HE3) ( resid 70 and name HG2*) 4.4 0.9 0.9 volume=0.270 peak=332 ppm1=7.605 ppm2=0.520 assign ( resid 97 and name HE3) ( resid 35 and name HA) 4.0 0.8 0.8 volume=0.446 peak=69 ppm1=7.980 ppm2=5.120 assign ( resid 73 and name HE3) ( resid 84 and name HB3) 3.9 0.8 0.8 volume=0.489 peak=20 ppm1=7.603 ppm2=3.938 assign ( resid 97 and name HE3) ( resid 36 and name HG2) 4.3 0.9 0.9 volume=0.309 peak=25 ppm1=7.980 ppm2=1.852 assign ( resid 45 and name HE*) ( resid 128 and name HG2*) 3.0 0.6 0.6 volume=2.398 peak=103 ppm1=7.149 ppm2=0.836 assign ( resid 45 and name HD*) ( resid 76 and name HD1*) 3.5 0.7 0.7 volume=1.034 peak=342 ppm1=7.133 ppm2=0.159 assign ( resid 7 and name HE*) ( resid 7 and name HB3) 3.0 0.6 0.6 volume=2.592 peak=263 ppm1=6.317 ppm2=2.677 assign ( resid 97 and name HD1) ( resid 97 and name HB3) 3.6 0.7 0.7 volume=0.869 peak=143 ppm1=7.448 ppm2=3.080 assign ( resid 45 and name HE*) ( resid 43 and name HA2) 4.0 0.8 0.8 volume=0.457 peak=200 ppm1=7.149 ppm2=3.629 assign ( resid 88 and name HH2) ( resid 70 and name HG1*) 3.3 0.7 0.7 volume=1.307 peak=269 ppm1=7.049 ppm2=0.780 assign ( resid 18 and name HH2) ( resid 14 and name HB3) 4.3 0.9 0.9 volume=0.304 peak=112 ppm1=7.368 ppm2=2.269 assign ( resid 48 and name HZ3) ( resid 49 and name HB3) 4.0 0.8 0.8 volume=0.452 peak=366 ppm1=7.172 ppm2=1.655 assign ( resid 7 and name HE*) ( resid 7 and name HB2) 3.8 0.8 0.8 volume=0.588 peak=228 ppm1=6.318 ppm2=3.529 assign ( resid 46 and name HE*) ( resid 7 and name HB2) 3.8 0.8 0.8 volume=0.575 peak=285 ppm1=6.815 ppm2=3.534 assign ( resid 88 and name HE3) ( resid 88 and name HZ3) 2.9 0.6 0.6 volume=2.900 peak=197 ppm1=8.018 ppm2=7.531 assign ( resid 46 and name HD*) ( resid 125 and name HD3) 3.6 0.7 0.7 volume=0.814 peak=82 ppm1=6.924 ppm2=4.305 assign ( resid 19 and name HE*) ( resid 19 and name HD*) 2.8 0.6 0.6 volume=3.739 peak=251 ppm1=6.501 ppm2=6.876 assign ( resid 73 and name HE3) ( resid 84 and name HB2) 4.1 0.8 0.8 volume=0.401 peak=207 ppm1=7.599 ppm2=3.710 assign ( resid 97 and name HE3) ( resid 97 and name HB3) 3.7 0.7 0.7 volume=0.756 peak=299 ppm1=7.985 ppm2=3.102 assign ( resid 48 and name HZ3) ( resid 48 and name HA) 4.8 1.0 1.0 volume=0.151 peak=201 ppm1=7.178 ppm2=4.879 assign ( resid 117 and name HE*) ( resid 50 and name HB3) 4.2 0.8 0.8 volume=0.355 peak=171 ppm1=7.401 ppm2=1.317 assign ( resid 45 and name HE*) ( resid 45 and name HB2) 3.7 0.7 0.7 volume=0.702 peak=213 ppm1=7.150 ppm2=3.999 assign ( resid 97 and name HZ2) ( resid 98 and name HD2) 4.3 0.9 0.9 volume=0.311 peak=46 ppm1=7.458 ppm2=1.244 assign ( resid 78 and name HD1) ( resid 79 and name HG2*) 3.6 0.7 0.7 volume=0.915 peak=315 ppm1=6.942 ppm2=1.094 assign ( resid 129 and name HD*) ( resid 11 and name HA) 3.7 0.7 0.7 volume=0.766 peak=327 ppm1=7.181 ppm2=4.245 assign ( resid 78 and name HZ3) ( resid 78 and name HH2) 3.0 0.6 0.6 volume=2.420 peak=179 ppm1=6.671 ppm2=6.868 assign ( resid 18 and name HD1) ( resid 18 and name HB2) 3.3 0.7 0.7 volume=1.486 peak=371 ppm1=6.962 ppm2=2.666 assign ( resid 129 and name HZ) ( resid 127 and name HD2*) 3.9 0.8 0.8 volume=0.488 peak=182 ppm1=7.243 ppm2=0.847 assign ( resid 84 and name HD2) ( resid 105 and name HB3) 3.4 0.7 0.7 volume=1.128 peak=6 ppm1=6.919 ppm2=3.481 assign ( resid 20 and name HD*) ( resid 23 and name HA3) 4.1 0.8 0.8 volume=0.379 peak=96 ppm1=6.201 ppm2=3.776 assign ( resid 73 and name HZ3) ( resid 70 and name HG1*) 4.2 0.8 0.8 volume=0.335 peak=146 ppm1=6.840 ppm2=0.758 assign ( resid 16 and name HE1) ( resid 16 and name HA) 4.2 0.8 0.8 volume=0.350 peak=129 ppm1=8.379 ppm2=4.980 assign ( resid 7 and name HD*) ( resid 9 and name HA) 4.0 0.8 0.8 volume=0.458 peak=31 ppm1=6.642 ppm2=5.776 assign ( resid 129 and name HZ) ( resid 9 and name HG3) 3.8 0.8 0.8 volume=0.590 peak=244 ppm1=7.246 ppm2=2.669 assign ( resid 20 and name HD*) ( resid 7 and name HD*) 3.9 0.8 0.8 volume=0.512 peak=76 ppm1=6.203 ppm2=6.651 assign ( resid 97 and name HZ2) ( resid 98 and name HG3) 4.8 1.0 1.0 volume=0.160 peak=312 ppm1=7.444 ppm2=-0.313 assign ( resid 18 and name HH2) ( resid 16 and name HD2) 3.9 0.8 0.8 volume=0.550 peak=239 ppm1=7.361 ppm2=4.385 assign ( resid 45 and name HE*) ( resid 128 and name HG1*) 3.0 0.6 0.6 volume=2.398 peak=21 ppm1=7.147 ppm2=0.810 assign ( resid 88 and name HH2) ( resid 88 and name HZ3) 3.4 0.7 0.7 volume=1.188 peak=206 ppm1=7.049 ppm2=7.532 assign ( resid 18 and name HD1) ( resid 20 and name HE*) 3.8 0.8 0.8 volume=0.619 peak=157 ppm1=6.961 ppm2=6.388 assign ( resid 73 and name HH2) ( resid 81 and name HG2*) 3.9 0.8 0.8 volume=0.502 peak=313 ppm1=7.134 ppm2=0.661 assign ( resid 73 and name HZ3) ( resid 73 and name HB2) 4.2 0.8 0.8 volume=0.348 peak=124 ppm1=6.847 ppm2=3.048 assign ( resid 19 and name HD*) ( resid 26 and name HB*) 3.0 0.6 0.6 volume=2.363 peak=259 ppm1=6.865 ppm2=1.262 assign ( resid 129 and name HD*) ( resid 128 and name HA) 3.4 0.7 0.7 volume=1.141 peak=77 ppm1=7.177 ppm2=5.068 assign ( resid 48 and name HE3) ( resid 49 and name HB3) 3.9 0.8 0.8 volume=0.560 peak=334 ppm1=7.543 ppm2=1.647 assign ( resid 20 and name HE*) ( resid 18 and name HE3) 4.1 0.8 0.8 volume=0.374 peak=109 ppm1=6.380 ppm2=7.915 assign ( resid 7 and name HE*) ( resid 7 and name HD*) 2.6 0.5 0.5 volume=6.163 peak=275 ppm1=6.316 ppm2=6.648 assign ( resid 78 and name HZ2) ( resid 78 and name HZ3) 3.8 0.8 0.8 volume=0.600 peak=158 ppm1=6.871 ppm2=6.688 assign ( resid 16 and name HD2) ( resid 18 and name HE3) 4.4 0.9 0.9 volume=0.264 peak=335 ppm1=4.380 ppm2=7.928 assign ( resid 18 and name HH2) ( resid 11 and name HA) 4.2 0.8 0.8 volume=0.345 peak=376 ppm1=7.364 ppm2=4.255 assign ( resid 129 and name HE*) ( resid 129 and name HB2) 3.5 0.7 0.7 volume=0.932 peak=262 ppm1=7.257 ppm2=2.989 assign ( resid 18 and name HZ3) ( resid 17 and name HA) 4.5 0.9 0.9 volume=0.228 peak=36 ppm1=7.249 ppm2=5.626 assign ( resid 129 and name HD*) ( resid 129 and name HA) 3.1 0.6 0.6 volume=1.945 peak=28 ppm1=7.181 ppm2=4.819 assign ( resid 73 and name HD1) ( resid 73 and name HB3) 3.4 0.7 0.7 volume=1.248 peak=134 ppm1=7.066 ppm2=2.814 assign ( resid 97 and name HZ2) ( resid 97 and name HH2) 3.1 0.6 0.6 volume=1.887 peak=37 ppm1=7.453 ppm2=7.216 assign ( resid 19 and name HD*) ( resid 6 and name HG2*) 3.1 0.6 0.6 volume=1.968 peak=291 ppm1=6.863 ppm2=1.584 assign ( resid 97 and name HE3) ( resid 97 and name HZ3) 3.6 0.7 0.7 volume=0.794 peak=232 ppm1=7.984 ppm2=6.860 assign ( resid 88 and name HD1) ( resid 89 and name HB2) 3.9 0.8 0.8 volume=0.496 peak=105 ppm1=7.045 ppm2=1.150 assign ( resid 19 and name HD*) ( resid 19 and name HB2) 3.2 0.6 0.6 volume=1.819 peak=225 ppm1=6.865 ppm2=2.577 assign ( resid 18 and name HZ3) ( resid 18 and name HH2) 3.2 0.6 0.6 volume=1.744 peak=152 ppm1=7.243 ppm2=7.362 assign ( resid 7 and name HE*) ( resid 4 and name HA) 4.0 0.8 0.8 volume=0.458 peak=22 ppm1=6.316 ppm2=4.303 assign ( resid 2 and name HD2) ( resid 2 and name HB2) 3.3 0.7 0.7 volume=1.384 peak=203 ppm1=7.072 ppm2=3.161 assign ( resid 129 and name HE*) ( resid 9 and name HB3) 3.1 0.6 0.6 volume=2.005 peak=338 ppm1=7.257 ppm2=2.581 assign ( resid 45 and name HZ) ( resid 45 and name HE*) 3.0 0.6 0.6 volume=2.534 peak=294 ppm1=6.878 ppm2=7.162 assign ( resid 84 and name HE1) ( resid 88 and name HH2) 3.4 0.7 0.7 volume=1.226 peak=350 ppm1=7.960 ppm2=7.059 assign ( resid 129 and name HD*) ( resid 9 and name HG2) 3.3 0.7 0.7 volume=1.324 peak=167 ppm1=7.181 ppm2=2.549 assign ( resid 117 and name HD*) ( resid 117 and name HA) 3.6 0.7 0.7 volume=0.883 peak=106 ppm1=6.951 ppm2=3.786 assign ( resid 18 and name HD1) ( resid 18 and name HE3) 4.6 0.9 0.9 volume=0.199 peak=153 ppm1=6.953 ppm2=7.916 assign ( resid 7 and name HD*) ( resid 7 and name HB2) 3.1 0.6 0.6 volume=1.911 peak=282 ppm1=6.637 ppm2=3.526 assign ( resid 85 and name H) ( resid 85 and name HA) 4.1 0.8 0.8 volume=0.373 peak=491 ppm1=10.379 ppm2=5.140 assign ( resid 62 and name H) ( resid 60 and name HA) 3.9 0.8 0.8 volume=0.560 peak=763 ppm1=7.733 ppm2=4.930 assign ( resid 76 and name H) ( resid 77 and name H) 3.9 0.8 0.8 volume=0.534 peak=564 ppm1=8.178 ppm2=7.527 assign ( resid 106 and name H) ( resid 84 and name H) 4.1 0.8 0.8 volume=0.361 peak=294 ppm1=8.709 ppm2=8.047 assign ( resid 49 and name H) ( resid 49 and name HA) 3.5 0.7 0.7 volume=1.078 peak=103 ppm1=7.239 ppm2=4.638 assign ( resid 73 and name HE1) ( resid 73 and name HZ2) 3.1 0.6 0.6 volume=1.917 peak=311 ppm1=10.103 ppm2=7.244 assign ( resid 120 and name H) ( resid 119 and name HG2) 3.6 0.7 0.7 volume=0.780 peak=299 ppm1=7.301 ppm2=2.551 assign ( resid 40 and name H) ( resid 40 and name HB) 3.2 0.6 0.6 volume=1.873 peak=408 ppm1=8.708 ppm2=3.707 assign ( resid 106 and name H) ( resid 106 and name HG2*) 3.0 0.6 0.6 volume=2.609 peak=862 ppm1=8.711 ppm2=0.659 assign ( resid 34 and name H) ( resid 34 and name HA2) 3.9 0.8 0.8 volume=0.557 peak=477 ppm1=8.162 ppm2=4.177 assign ( resid 122 and name H) ( resid 118 and name H) 4.6 0.9 0.9 volume=0.196 peak=733 ppm1=9.210 ppm2=7.183 assign ( resid 4 and name H) ( resid 4 and name HB3) 2.9 0.6 0.6 volume=2.801 peak=715 ppm1=8.353 ppm2=1.869 assign ( resid 18 and name HE1) ( resid 18 and name HD1) 3.2 0.6 0.6 volume=1.584 peak=398 ppm1=10.279 ppm2=6.966 assign ( resid 44 and name H) ( resid 44 and name HB) 3.2 0.6 0.6 volume=1.868 peak=1022 ppm1=7.478 ppm2=1.776 assign ( resid 91 and name H) ( resid 91 and name HB3) 2.8 0.6 0.6 volume=3.523 peak=1027 ppm1=7.014 ppm2=1.963 assign ( resid 46 and name H) ( resid 45 and name HB2) 3.7 0.7 0.7 volume=0.673 peak=165 ppm1=7.912 ppm2=3.970 assign ( resid 120 and name H) ( resid 116 and name HD2*) 3.1 0.6 0.6 volume=2.101 peak=429 ppm1=7.300 ppm2=0.617 assign ( resid 80 and name H) ( resid 79 and name H) 3.3 0.7 0.7 volume=1.535 peak=353 ppm1=7.909 ppm2=8.517 assign ( resid 106 and name H) ( resid 105 and name HB3) 3.7 0.7 0.7 volume=0.744 peak=947 ppm1=8.708 ppm2=3.485 assign ( resid 14 and name H) ( resid 13 and name H) 3.1 0.6 0.6 volume=2.238 peak=457 ppm1=7.730 ppm2=9.086 assign ( resid 51 and name H) ( resid 51 and name HG2) 3.2 0.6 0.6 volume=1.566 peak=766 ppm1=9.526 ppm2=2.212 assign ( resid 15 and name H) ( resid 12 and name H) 4.4 0.9 0.9 volume=0.238 peak=68 ppm1=8.047 ppm2=9.574 assign ( resid 113 and name H) ( resid 85 and name H) 4.4 0.9 0.9 volume=0.245 peak=949 ppm1=8.605 ppm2=10.369 assign ( resid 3 and name H) ( resid 3 and name HA) 3.8 0.8 0.8 volume=0.577 peak=656 ppm1=8.403 ppm2=4.338 assign ( resid 71 and name HD21) ( resid 71 and name HB2) 3.3 0.7 0.7 volume=1.554 peak=614 ppm1=7.446 ppm2=2.427 assign ( resid 87 and name H) ( resid 110 and name HA) 4.3 0.9 0.9 volume=0.307 peak=1090 ppm1=9.737 ppm2=3.959 assign ( resid 56 and name H) ( resid 56 and name HD2*) 3.5 0.7 0.7 volume=0.954 peak=783 ppm1=8.162 ppm2=-0.103 assign ( resid 124 and name H) ( resid 123 and name H) 3.5 0.7 0.7 volume=1.010 peak=1042 ppm1=7.409 ppm2=9.543 assign ( resid 15 and name H) ( resid 15 and name HE22) 4.3 0.9 0.9 volume=0.291 peak=827 ppm1=8.057 ppm2=6.800 assign ( resid 74 and name H) ( resid 74 and name HG2) 4.0 0.8 0.8 volume=0.445 peak=1052 ppm1=7.922 ppm2=2.480 assign ( resid 55 and name H) ( resid 54 and name HB*) 2.7 0.5 0.5 volume=5.288 peak=915 ppm1=8.405 ppm2=0.900 assign ( resid 37 and name H) ( resid 37 and name HA) 3.2 0.6 0.6 volume=1.698 peak=598 ppm1=7.311 ppm2=4.268 assign ( resid 123 and name H) ( resid 106 and name HG12) 4.5 0.9 0.9 volume=0.225 peak=856 ppm1=9.545 ppm2=1.352 assign ( resid 102 and name H) ( resid 101 and name HA2) 3.4 0.7 0.7 volume=1.182 peak=117 ppm1=8.491 ppm2=4.332 assign ( resid 37 and name H) ( resid 35 and name HG2) 3.3 0.7 0.7 volume=1.516 peak=134 ppm1=7.312 ppm2=1.154 assign ( resid 76 and name H) ( resid 76 and name HD1*) 4.2 0.8 0.8 volume=0.321 peak=93 ppm1=8.177 ppm2=0.148 assign ( resid 74 and name H) ( resid 83 and name H) 4.3 0.9 0.9 volume=0.309 peak=430 ppm1=7.929 ppm2=8.309 assign ( resid 106 and name H) ( resid 107 and name H) 4.3 0.9 0.9 volume=0.312 peak=323 ppm1=8.701 ppm2=8.989 assign ( resid 126 and name H) ( resid 126 and name HG2*) 3.5 0.7 0.7 volume=0.966 peak=977 ppm1=8.523 ppm2=0.681 assign ( resid 52 and name H) ( resid 51 and name H) 3.9 0.8 0.8 volume=0.494 peak=422 ppm1=8.647 ppm2=9.522 assign ( resid 101 and name H) ( resid 35 and name HA) 4.0 0.8 0.8 volume=0.471 peak=649 ppm1=7.178 ppm2=5.114 assign ( resid 73 and name H) ( resid 73 and name HB2) 3.6 0.7 0.7 volume=0.906 peak=992 ppm1=9.008 ppm2=3.038 assign ( resid 107 and name H) ( resid 106 and name HA) 3.2 0.6 0.6 volume=1.746 peak=337 ppm1=8.988 ppm2=3.795 assign ( resid 72 and name H) ( resid 71 and name HB3) 3.5 0.7 0.7 volume=0.929 peak=1106 ppm1=10.228 ppm2=1.759 assign ( resid 97 and name H) ( resid 96 and name HA) 4.2 0.8 0.8 volume=0.318 peak=415 ppm1=9.599 ppm2=3.873 assign ( resid 22 and name H) ( resid 21 and name H) 4.3 0.9 0.9 volume=0.293 peak=309 ppm1=8.644 ppm2=8.455 assign ( resid 43 and name H) ( resid 43 and name HA3) 3.5 0.7 0.7 volume=1.064 peak=15 ppm1=9.202 ppm2=4.027 assign ( resid 62 and name H) ( resid 63 and name HA3) 3.1 0.6 0.6 volume=2.176 peak=526 ppm1=7.733 ppm2=4.360 assign ( resid 5 and name H) ( resid 6 and name H) 3.1 0.6 0.6 volume=1.976 peak=845 ppm1=8.430 ppm2=7.731 assign ( resid 68 and name H) ( resid 56 and name H) 3.2 0.6 0.6 volume=1.616 peak=647 ppm1=9.239 ppm2=8.171 assign ( resid 5 and name H) ( resid 5 and name HA) 3.1 0.6 0.6 volume=1.907 peak=1029 ppm1=8.429 ppm2=4.671 assign ( resid 19 and name H) ( resid 116 and name HD1*) 4.1 0.8 0.8 volume=0.401 peak=11 ppm1=9.155 ppm2=0.367 assign ( resid 46 and name H) ( resid 76 and name HD1*) 4.4 0.9 0.9 volume=0.257 peak=835 ppm1=7.913 ppm2=0.146 assign ( resid 87 and name H) ( resid 87 and name HB3) 3.1 0.6 0.6 volume=1.970 peak=1104 ppm1=9.732 ppm2=2.720 assign ( resid 71 and name HD21) ( resid 70 and name HB) 4.0 0.8 0.8 volume=0.420 peak=967 ppm1=7.447 ppm2=2.678 assign ( resid 14 and name H) ( resid 13 and name HB2) 3.0 0.6 0.6 volume=2.301 peak=741 ppm1=7.730 ppm2=2.062 assign ( resid 27 and name H) ( resid 19 and name HB2) 3.6 0.7 0.7 volume=0.796 peak=829 ppm1=7.630 ppm2=2.560 assign ( resid 58 and name H) ( resid 57 and name HB2) 3.1 0.6 0.6 volume=2.067 peak=386 ppm1=6.602 ppm2=1.460 assign ( resid 33 and name H) ( resid 32 and name HA) 3.1 0.6 0.6 volume=2.034 peak=8 ppm1=8.602 ppm2=4.819 assign ( resid 63 and name H) ( resid 60 and name HB2) 3.2 0.6 0.6 volume=1.783 peak=802 ppm1=8.138 ppm2=3.063 assign ( resid 49 and name HD21) ( resid 49 and name HB2) 3.9 0.8 0.8 volume=0.557 peak=405 ppm1=7.236 ppm2=2.597 assign ( resid 124 and name H) ( resid 124 and name HA) 3.4 0.7 0.7 volume=1.205 peak=210 ppm1=7.408 ppm2=4.443 assign ( resid 19 and name H) ( resid 18 and name HA) 3.1 0.6 0.6 volume=2.065 peak=768 ppm1=9.156 ppm2=4.950 assign ( resid 80 and name H) ( resid 81 and name H) 3.3 0.7 0.7 volume=1.385 peak=688 ppm1=7.909 ppm2=8.701 assign ( resid 87 and name H) ( resid 87 and name HB2) 3.2 0.6 0.6 volume=1.605 peak=966 ppm1=9.732 ppm2=2.954 assign ( resid 18 and name H) ( resid 17 and name HA) 3.3 0.7 0.7 volume=1.346 peak=999 ppm1=9.626 ppm2=5.627 assign ( resid 22 and name H) ( resid 23 and name H) 3.7 0.7 0.7 volume=0.730 peak=370 ppm1=8.648 ppm2=8.848 assign ( resid 102 and name H) ( resid 101 and name HA3) 3.1 0.6 0.6 volume=1.914 peak=719 ppm1=8.491 ppm2=4.236 assign ( resid 71 and name HD22) ( resid 71 and name HB3) 3.6 0.7 0.7 volume=0.905 peak=892 ppm1=6.952 ppm2=1.759 assign ( resid 17 and name H) ( resid 31 and name H) 4.0 0.8 0.8 volume=0.482 peak=23 ppm1=8.249 ppm2=7.644 assign ( resid 104 and name H) ( resid 103 and name HA) 4.1 0.8 0.8 volume=0.398 peak=146 ppm1=8.806 ppm2=5.101 assign ( resid 71 and name H) ( resid 71 and name HD21) 3.8 0.8 0.8 volume=0.593 peak=96 ppm1=10.382 ppm2=7.444 assign ( resid 63 and name H) ( resid 59 and name HB) 3.9 0.8 0.8 volume=0.493 peak=75 ppm1=8.138 ppm2=3.870 assign ( resid 31 and name H) ( resid 30 and name HA) 3.3 0.7 0.7 volume=1.412 peak=1002 ppm1=7.641 ppm2=5.326 assign ( resid 70 and name H) ( resid 56 and name HD1*) 4.3 0.9 0.9 volume=0.278 peak=868 ppm1=8.616 ppm2=-0.717 assign ( resid 23 and name H) ( resid 5 and name H) 3.9 0.8 0.8 volume=0.560 peak=707 ppm1=8.846 ppm2=8.445 assign ( resid 89 and name HE22) ( resid 100 and name HA) 4.4 0.9 0.9 volume=0.270 peak=357 ppm1=7.256 ppm2=4.780 assign ( resid 67 and name H) ( resid 66 and name HB3) 3.0 0.6 0.6 volume=2.574 peak=893 ppm1=8.199 ppm2=2.555 assign ( resid 73 and name HE1) ( resid 73 and name HB3) 4.5 0.9 0.9 volume=0.221 peak=753 ppm1=10.101 ppm2=2.815 assign ( resid 30 and name H) ( resid 31 and name H) 3.9 0.8 0.8 volume=0.496 peak=520 ppm1=8.405 ppm2=7.648 assign ( resid 45 and name H) ( resid 44 and name H) 4.2 0.8 0.8 volume=0.329 peak=908 ppm1=9.262 ppm2=7.474 assign ( resid 57 and name H) ( resid 56 and name HA) 2.6 0.5 0.5 volume=6.685 peak=1004 ppm1=8.065 ppm2=4.013 assign ( resid 123 and name H) ( resid 122 and name HA) 3.4 0.7 0.7 volume=1.261 peak=591 ppm1=9.545 ppm2=3.680 assign ( resid 118 and name H) ( resid 120 and name HB) 4.4 0.9 0.9 volume=0.240 peak=951 ppm1=7.184 ppm2=1.434 assign ( resid 19 and name H) ( resid 119 and name HG3) 3.3 0.7 0.7 volume=1.470 peak=355 ppm1=9.155 ppm2=2.703 assign ( resid 52 and name H) ( resid 52 and name HA) 2.7 0.5 0.5 volume=4.987 peak=943 ppm1=8.648 ppm2=4.933 assign ( resid 80 and name H) ( resid 81 and name HG2*) 4.2 0.8 0.8 volume=0.343 peak=1021 ppm1=7.912 ppm2=0.677 assign ( resid 60 and name HD22) ( resid 66 and name HB3) 4.1 0.8 0.8 volume=0.361 peak=828 ppm1=7.592 ppm2=2.567 assign ( resid 60 and name H) ( resid 60 and name HD22) 3.6 0.7 0.7 volume=0.794 peak=506 ppm1=9.421 ppm2=7.595 assign ( resid 72 and name H) ( resid 72 and name HB3) 3.3 0.7 0.7 volume=1.533 peak=795 ppm1=10.229 ppm2=2.422 assign ( resid 114 and name H) ( resid 115 and name H) 3.1 0.6 0.6 volume=2.055 peak=229 ppm1=7.506 ppm2=6.747 assign ( resid 59 and name H) ( resid 66 and name H) 4.0 0.8 0.8 volume=0.432 peak=440 ppm1=8.495 ppm2=8.097 assign ( resid 44 and name H) ( resid 43 and name HA2) 3.2 0.6 0.6 volume=1.747 peak=275 ppm1=7.480 ppm2=3.616 assign ( resid 113 and name H) ( resid 109 and name HG2) 4.5 0.9 0.9 volume=0.219 peak=391 ppm1=8.611 ppm2=-0.096 assign ( resid 76 and name H) ( resid 76 and name HG2*) 3.6 0.7 0.7 volume=0.820 peak=1033 ppm1=8.181 ppm2=0.604 assign ( resid 66 and name H) ( resid 66 and name HB3) 3.5 0.7 0.7 volume=1.084 peak=895 ppm1=8.095 ppm2=2.553 assign ( resid 95 and name H) ( resid 94 and name HA2) 2.8 0.6 0.6 volume=3.560 peak=480 ppm1=8.531 ppm2=3.866 assign ( resid 116 and name H) ( resid 116 and name HB3) 3.0 0.6 0.6 volume=2.522 peak=644 ppm1=8.666 ppm2=1.773 assign ( resid 56 and name H) ( resid 56 and name HG) 3.3 0.7 0.7 volume=1.548 peak=725 ppm1=8.163 ppm2=0.968 assign ( resid 56 and name H) ( resid 56 and name HA) 3.6 0.7 0.7 volume=0.833 peak=362 ppm1=8.164 ppm2=4.012 assign ( resid 19 and name H) ( resid 19 and name HA) 3.8 0.8 0.8 volume=0.565 peak=43 ppm1=9.156 ppm2=5.355 assign ( resid 11 and name H) ( resid 17 and name HB3) 4.1 0.8 0.8 volume=0.405 peak=236 ppm1=8.605 ppm2=1.476 assign ( resid 20 and name H) ( resid 20 and name HB2) 3.5 0.7 0.7 volume=0.931 peak=261 ppm1=8.986 ppm2=2.007 assign ( resid 122 and name H) ( resid 121 and name H) 4.1 0.8 0.8 volume=0.400 peak=50 ppm1=9.206 ppm2=8.099 assign ( resid 107 and name H) ( resid 33 and name HB3) 4.3 0.9 0.9 volume=0.297 peak=35 ppm1=8.988 ppm2=4.566 assign ( resid 60 and name H) ( resid 58 and name H) 4.5 0.9 0.9 volume=0.208 peak=509 ppm1=9.421 ppm2=6.599 assign ( resid 98 and name H) ( resid 98 and name HA) 3.3 0.7 0.7 volume=1.322 peak=704 ppm1=6.513 ppm2=3.080 assign ( resid 115 and name H) ( resid 114 and name HG3) 3.5 0.7 0.7 volume=0.985 peak=113 ppm1=6.759 ppm2=1.298 assign ( resid 68 and name H) ( resid 55 and name HA) 4.1 0.8 0.8 volume=0.400 peak=561 ppm1=9.242 ppm2=4.337 assign ( resid 3 and name H) ( resid 2 and name HA) 3.5 0.7 0.7 volume=0.998 peak=660 ppm1=8.405 ppm2=4.634 assign ( resid 58 and name H) ( resid 59 and name H) 3.5 0.7 0.7 volume=1.007 peak=433 ppm1=6.603 ppm2=8.489 assign ( resid 22 and name H) ( resid 21 and name HA) 3.2 0.6 0.6 volume=1.630 peak=569 ppm1=8.647 ppm2=4.540 assign ( resid 28 and name H) ( resid 27 and name HA) 2.5 0.5 0.5 volume=7.253 peak=168 ppm1=8.448 ppm2=4.482 assign ( resid 91 and name H) ( resid 90 and name HD3) 3.3 0.7 0.7 volume=1.355 peak=542 ppm1=7.017 ppm2=4.012 assign ( resid 56 and name H) ( resid 56 and name HB3) 3.4 0.7 0.7 volume=1.107 peak=350 ppm1=8.164 ppm2=1.144 assign ( resid 70 and name H) ( resid 70 and name HA) 3.5 0.7 0.7 volume=1.042 peak=578 ppm1=8.620 ppm2=4.755 assign ( resid 121 and name H) ( resid 121 and name HG2) 3.4 0.7 0.7 volume=1.116 peak=1005 ppm1=8.104 ppm2=2.388 assign ( resid 14 and name H) ( resid 14 and name HD21) 3.6 0.7 0.7 volume=0.887 peak=749 ppm1=7.730 ppm2=7.080 assign ( resid 88 and name HE1) ( resid 89 and name HA) 4.6 0.9 0.9 volume=0.193 peak=633 ppm1=10.894 ppm2=5.186 assign ( resid 89 and name HE21) ( resid 91 and name HB3) 3.8 0.8 0.8 volume=0.630 peak=114 ppm1=7.604 ppm2=1.975 assign ( resid 96 and name H) ( resid 96 and name HD1*) 3.2 0.6 0.6 volume=1.686 peak=346 ppm1=7.928 ppm2=0.628 assign ( resid 71 and name HD21) ( resid 72 and name H) 4.5 0.9 0.9 volume=0.214 peak=1010 ppm1=7.446 ppm2=10.232 assign ( resid 14 and name HD22) ( resid 14 and name HB3) 3.3 0.7 0.7 volume=1.366 peak=518 ppm1=9.006 ppm2=2.257 assign ( resid 66 and name H) ( resid 65 and name HB2) 3.1 0.6 0.6 volume=1.942 peak=129 ppm1=8.095 ppm2=1.860 assign ( resid 115 and name H) ( resid 114 and name HA) 3.6 0.7 0.7 volume=0.866 peak=759 ppm1=6.756 ppm2=2.782 assign ( resid 20 and name H) ( resid 20 and name HB3) 3.4 0.7 0.7 volume=1.172 peak=498 ppm1=8.985 ppm2=1.865 assign ( resid 8 and name H) ( resid 125 and name HD2) 4.4 0.9 0.9 volume=0.249 peak=505 ppm1=9.219 ppm2=4.456 assign ( resid 18 and name H) ( resid 18 and name HB2) 3.6 0.7 0.7 volume=0.829 peak=573 ppm1=9.628 ppm2=2.655 assign ( resid 88 and name HE1) ( resid 86 and name HB2) 4.2 0.8 0.8 volume=0.321 peak=930 ppm1=10.887 ppm2=2.434 assign ( resid 6 and name H) ( resid 5 and name HB3) 3.4 0.7 0.7 volume=1.205 peak=407 ppm1=7.726 ppm2=2.683 assign ( resid 122 and name H) ( resid 122 and name HB2) 2.9 0.6 0.6 volume=3.327 peak=279 ppm1=9.204 ppm2=1.693 assign ( resid 40 and name H) ( resid 40 and name HG2*) 3.4 0.7 0.7 volume=1.093 peak=883 ppm1=8.706 ppm2=1.186 assign ( resid 14 and name HD21) ( resid 15 and name H) 4.6 0.9 0.9 volume=0.182 peak=421 ppm1=7.090 ppm2=8.062 assign ( resid 51 and name H) ( resid 51 and name HB3) 3.5 0.7 0.7 volume=1.022 peak=237 ppm1=9.526 ppm2=1.986 assign ( resid 82 and name H) ( resid 81 and name HG2*) 3.1 0.6 0.6 volume=2.109 peak=153 ppm1=7.707 ppm2=0.650 assign ( resid 12 and name H) ( resid 12 and name HB2) 3.5 0.7 0.7 volume=0.984 peak=115 ppm1=9.562 ppm2=1.807 assign ( resid 68 and name H) ( resid 69 and name HA) 3.2 0.6 0.6 volume=1.714 peak=720 ppm1=9.241 ppm2=4.847 assign ( resid 84 and name H) ( resid 83 and name HG2*) 2.7 0.5 0.5 volume=4.276 peak=1093 ppm1=8.056 ppm2=0.712 assign ( resid 67 and name H) ( resid 58 and name H) 4.4 0.9 0.9 volume=0.251 peak=55 ppm1=8.199 ppm2=6.603 assign ( resid 66 and name H) ( resid 65 and name HD2) 3.5 0.7 0.7 volume=0.989 peak=16 ppm1=8.095 ppm2=3.888 assign ( resid 93 and name H) ( resid 32 and name HG1*) 3.3 0.7 0.7 volume=1.327 peak=1045 ppm1=7.989 ppm2=1.004 assign ( resid 11 and name H) ( resid 11 and name HB3) 3.4 0.7 0.7 volume=1.232 peak=267 ppm1=8.607 ppm2=3.120 assign ( resid 118 and name H) ( resid 120 and name HG1*) 4.5 0.9 0.9 volume=0.211 peak=188 ppm1=7.184 ppm2=0.163 assign ( resid 85 and name H) ( resid 84 and name HB3) 3.6 0.7 0.7 volume=0.811 peak=76 ppm1=10.374 ppm2=3.932 assign ( resid 13 and name H) ( resid 12 and name HA) 3.9 0.8 0.8 volume=0.533 peak=806 ppm1=9.097 ppm2=3.694 assign ( resid 118 and name H) ( resid 119 and name H) 3.1 0.6 0.6 volume=1.955 peak=122 ppm1=7.182 ppm2=7.334 assign ( resid 128 and name H) ( resid 127 and name HB3) 3.5 0.7 0.7 volume=1.078 peak=672 ppm1=9.117 ppm2=1.850 assign ( resid 49 and name H) ( resid 48 and name H) 3.3 0.7 0.7 volume=1.324 peak=412 ppm1=7.239 ppm2=7.985 assign ( resid 108 and name H) ( resid 85 and name HA) 3.9 0.8 0.8 volume=0.515 peak=1094 ppm1=8.193 ppm2=5.140 assign ( resid 19 and name H) ( resid 28 and name H) 4.2 0.8 0.8 volume=0.357 peak=851 ppm1=9.156 ppm2=8.438 assign ( resid 96 and name H) ( resid 32 and name HG2*) 3.4 0.7 0.7 volume=1.287 peak=743 ppm1=7.925 ppm2=1.112 assign ( resid 32 and name H) ( resid 107 and name H) 4.0 0.8 0.8 volume=0.445 peak=259 ppm1=8.266 ppm2=8.986 assign ( resid 60 and name HD21) ( resid 59 and name HA) 3.8 0.8 0.8 volume=0.595 peak=810 ppm1=6.958 ppm2=4.785 assign ( resid 47 and name H) ( resid 46 and name HA) 3.4 0.7 0.7 volume=1.160 peak=381 ppm1=8.273 ppm2=5.167 assign ( resid 113 and name H) ( resid 111 and name H) 4.2 0.8 0.8 volume=0.320 peak=690 ppm1=8.606 ppm2=8.910 assign ( resid 95 and name H) ( resid 96 and name H) 3.3 0.7 0.7 volume=1.465 peak=669 ppm1=8.531 ppm2=7.926 assign ( resid 14 and name H) ( resid 12 and name H) 4.1 0.8 0.8 volume=0.361 peak=1097 ppm1=7.731 ppm2=9.560 assign ( resid 80 and name H) ( resid 79 and name HG2*) 4.0 0.8 0.8 volume=0.458 peak=839 ppm1=7.912 ppm2=1.091 assign ( resid 73 and name HE1) ( resid 54 and name HB*) 3.7 0.7 0.7 volume=0.665 peak=918 ppm1=10.102 ppm2=0.909 assign ( resid 51 and name H) ( resid 24 and name HA) 3.2 0.6 0.6 volume=1.878 peak=331 ppm1=9.527 ppm2=4.750 assign ( resid 120 and name H) ( resid 117 and name HA) 3.5 0.7 0.7 volume=0.994 peak=139 ppm1=7.301 ppm2=3.777 assign ( resid 92 and name H) ( resid 92 and name HA) 3.0 0.6 0.6 volume=2.526 peak=713 ppm1=8.625 ppm2=4.439 assign ( resid 30 and name H) ( resid 30 and name HB2) 3.0 0.6 0.6 volume=2.400 peak=1081 ppm1=8.402 ppm2=2.592 assign ( resid 117 and name H) ( resid 116 and name HB2) 3.6 0.7 0.7 volume=0.891 peak=4 ppm1=8.857 ppm2=1.229 assign ( resid 66 and name H) ( resid 57 and name HB3) 4.0 0.8 0.8 volume=0.483 peak=797 ppm1=8.096 ppm2=1.666 assign ( resid 96 and name H) ( resid 96 and name HB2) 3.2 0.6 0.6 volume=1.584 peak=326 ppm1=7.925 ppm2=2.093 assign ( resid 96 and name H) ( resid 97 and name H) 3.9 0.8 0.8 volume=0.546 peak=1035 ppm1=7.925 ppm2=9.591 assign ( resid 18 and name H) ( resid 19 and name H) 4.3 0.9 0.9 volume=0.271 peak=744 ppm1=9.627 ppm2=9.145 assign ( resid 25 and name H) ( resid 24 and name HG2) 3.3 0.7 0.7 volume=1.459 peak=128 ppm1=8.701 ppm2=1.389 assign ( resid 34 and name H) ( resid 33 and name HB2) 4.0 0.8 0.8 volume=0.482 peak=472 ppm1=8.161 ppm2=3.044 assign ( resid 56 and name H) ( resid 68 and name HA) 3.4 0.7 0.7 volume=1.167 peak=606 ppm1=8.164 ppm2=4.924 assign ( resid 42 and name H) ( resid 41 and name HD3) 4.2 0.8 0.8 volume=0.321 peak=991 ppm1=7.580 ppm2=3.780 assign ( resid 47 and name H) ( resid 123 and name H) 4.3 0.9 0.9 volume=0.309 peak=631 ppm1=8.272 ppm2=9.543 assign ( resid 71 and name HD22) ( resid 71 and name HA) 4.2 0.8 0.8 volume=0.357 peak=767 ppm1=6.955 ppm2=4.311 assign ( resid 34 and name H) ( resid 33 and name HB3) 3.8 0.8 0.8 volume=0.630 peak=219 ppm1=8.165 ppm2=4.545 assign ( resid 66 and name H) ( resid 60 and name HD21) 4.6 0.9 0.9 volume=0.201 peak=840 ppm1=8.096 ppm2=6.950 assign ( resid 18 and name H) ( resid 17 and name HB3) 3.6 0.7 0.7 volume=0.899 peak=596 ppm1=9.626 ppm2=1.477 assign ( resid 122 and name H) ( resid 122 and name HB3) 2.8 0.6 0.6 volume=3.504 peak=138 ppm1=9.205 ppm2=1.703 assign ( resid 38 and name H) ( resid 35 and name H) 4.0 0.8 0.8 volume=0.444 peak=69 ppm1=7.727 ppm2=8.326 assign ( resid 83 and name H) ( resid 74 and name H) 4.2 0.8 0.8 volume=0.357 peak=1075 ppm1=8.293 ppm2=7.924 assign ( resid 129 and name H) ( resid 128 and name HB) 4.2 0.8 0.8 volume=0.340 peak=180 ppm1=8.827 ppm2=2.457 assign ( resid 68 and name H) ( resid 67 and name HA) 2.8 0.6 0.6 volume=4.232 peak=823 ppm1=9.240 ppm2=4.965 assign ( resid 114 and name H) ( resid 114 and name HA) 3.2 0.6 0.6 volume=1.822 peak=305 ppm1=7.507 ppm2=2.781 assign ( resid 105 and name H) ( resid 103 and name HB2) 4.0 0.8 0.8 volume=0.441 peak=82 ppm1=9.107 ppm2=3.690 assign ( resid 82 and name H) ( resid 76 and name HD1*) 4.7 0.9 0.9 volume=0.169 peak=721 ppm1=7.713 ppm2=0.149 assign ( resid 105 and name H) ( resid 34 and name HA3) 3.9 0.8 0.8 volume=0.510 peak=401 ppm1=9.110 ppm2=3.730 assign ( resid 74 and name H) ( resid 74 and name HA) 4.2 0.8 0.8 volume=0.331 peak=345 ppm1=7.923 ppm2=4.879 assign ( resid 71 and name HD21) ( resid 70 and name HA) 4.2 0.8 0.8 volume=0.345 peak=523 ppm1=7.446 ppm2=4.733 assign ( resid 104 and name H) ( resid 34 and name HA2) 3.7 0.7 0.7 volume=0.663 peak=589 ppm1=8.807 ppm2=4.172 assign ( resid 23 and name H) ( resid 21 and name HA) 3.8 0.8 0.8 volume=0.577 peak=149 ppm1=8.844 ppm2=4.542 assign ( resid 8 and name H) ( resid 7 and name H) 4.6 0.9 0.9 volume=0.204 peak=393 ppm1=9.219 ppm2=8.650 assign ( resid 108 and name H) ( resid 108 and name HB) 3.2 0.6 0.6 volume=1.577 peak=247 ppm1=8.192 ppm2=3.415 assign ( resid 88 and name HE1) ( resid 86 and name HB3) 4.1 0.8 0.8 volume=0.361 peak=1105 ppm1=10.889 ppm2=2.207 assign ( resid 46 and name H) ( resid 46 and name HD*) 4.3 0.9 0.9 volume=0.306 peak=853 ppm1=7.916 ppm2=6.931 assign ( resid 7 and name H) ( resid 6 and name HA) 2.9 0.6 0.6 volume=3.094 peak=640 ppm1=8.655 ppm2=5.219 assign ( resid 123 and name H) ( resid 123 and name HA3) 3.8 0.8 0.8 volume=0.658 peak=925 ppm1=9.543 ppm2=3.347 assign ( resid 57 and name H) ( resid 57 and name HB3) 3.0 0.6 0.6 volume=2.309 peak=626 ppm1=8.065 ppm2=1.662 assign ( resid 16 and name H) ( resid 16 and name HD2) 4.1 0.8 0.8 volume=0.370 peak=1003 ppm1=8.062 ppm2=4.378 assign ( resid 96 and name H) ( resid 95 and name HB2) 4.0 0.8 0.8 volume=0.461 peak=178 ppm1=7.922 ppm2=2.600 assign ( resid 49 and name H) ( resid 48 and name HA) 3.6 0.7 0.7 volume=0.836 peak=223 ppm1=7.237 ppm2=4.891 assign ( resid 29 and name H) ( resid 29 and name HA) 3.4 0.7 0.7 volume=1.161 peak=865 ppm1=8.021 ppm2=4.344 assign ( resid 94 and name H) ( resid 93 and name HA2) 2.9 0.6 0.6 volume=3.014 peak=583 ppm1=8.641 ppm2=4.413 assign ( resid 87 and name H) ( resid 87 and name HA) 3.3 0.7 0.7 volume=1.378 peak=48 ppm1=9.733 ppm2=4.201 assign ( resid 88 and name H) ( resid 88 and name HA) 3.4 0.7 0.7 volume=1.187 peak=831 ppm1=7.012 ppm2=4.650 assign ( resid 29 and name H) ( resid 29 and name HG2*) 2.9 0.6 0.6 volume=2.842 peak=988 ppm1=8.020 ppm2=0.574 assign ( resid 45 and name H) ( resid 45 and name HB3) 3.9 0.8 0.8 volume=0.552 peak=889 ppm1=9.255 ppm2=2.432 assign ( resid 60 and name HD22) ( resid 59 and name HA) 3.7 0.7 0.7 volume=0.709 peak=447 ppm1=7.594 ppm2=4.786 assign ( resid 100 and name H) ( resid 98 and name HA) 3.9 0.8 0.8 volume=0.530 peak=775 ppm1=8.887 ppm2=3.090 assign ( resid 129 and name H) ( resid 129 and name HD*) 4.0 0.8 0.8 volume=0.449 peak=383 ppm1=8.828 ppm2=7.190 assign ( resid 16 and name H) ( resid 14 and name HB3) 3.5 0.7 0.7 volume=0.989 peak=202 ppm1=8.058 ppm2=2.249 assign ( resid 95 and name H) ( resid 97 and name H) 4.6 0.9 0.9 volume=0.185 peak=1091 ppm1=8.533 ppm2=9.605 assign ( resid 114 and name H) ( resid 114 and name HB2) 2.6 0.5 0.5 volume=5.433 peak=127 ppm1=7.506 ppm2=1.742 assign ( resid 51 and name H) ( resid 51 and name HA) 3.5 0.7 0.7 volume=1.049 peak=559 ppm1=9.526 ppm2=4.926 assign ( resid 20 and name H) ( resid 9 and name H) 4.3 0.9 0.9 volume=0.294 peak=1039 ppm1=8.981 ppm2=9.754 assign ( resid 64 and name H) ( resid 64 and name HA) 3.3 0.7 0.7 volume=1.503 peak=397 ppm1=8.115 ppm2=4.551 assign ( resid 84 and name H) ( resid 84 and name HA) 3.7 0.7 0.7 volume=0.720 peak=758 ppm1=8.058 ppm2=5.645 assign ( resid 16 and name H) ( resid 15 and name HA) 3.2 0.6 0.6 volume=1.701 peak=788 ppm1=8.057 ppm2=3.381 assign ( resid 114 and name H) ( resid 113 and name HG3) 4.2 0.8 0.8 volume=0.352 peak=609 ppm1=7.507 ppm2=3.539 assign ( resid 127 and name H) ( resid 126 and name HA) 3.3 0.7 0.7 volume=1.510 peak=912 ppm1=9.568 ppm2=4.934 assign ( resid 106 and name H) ( resid 106 and name HD1*) 3.0 0.6 0.6 volume=2.452 peak=600 ppm1=8.709 ppm2=0.624 assign ( resid 88 and name H) ( resid 89 and name HB3) 4.0 0.8 0.8 volume=0.451 peak=40 ppm1=7.012 ppm2=1.634 assign ( resid 31 and name H) ( resid 31 and name HB) 4.0 0.8 0.8 volume=0.447 peak=914 ppm1=7.642 ppm2=1.855 assign ( resid 129 and name H) ( resid 129 and name HB3) 3.9 0.8 0.8 volume=0.558 peak=217 ppm1=8.829 ppm2=3.190 assign ( resid 11 and name H) ( resid 10 and name HA) 3.1 0.6 0.6 volume=1.909 peak=184 ppm1=8.605 ppm2=4.527 assign ( resid 67 and name H) ( resid 66 and name HB2) 2.9 0.6 0.6 volume=3.160 peak=58 ppm1=8.199 ppm2=2.880 assign ( resid 89 and name HE22) ( resid 89 and name HE21) 3.2 0.6 0.6 volume=1.668 peak=338 ppm1=7.250 ppm2=7.606 assign ( resid 56 and name H) ( resid 67 and name HB3) 4.4 0.9 0.9 volume=0.257 peak=379 ppm1=8.166 ppm2=1.664 assign ( resid 96 and name H) ( resid 100 and name HA) 3.8 0.8 0.8 volume=0.588 peak=394 ppm1=7.927 ppm2=4.785 assign ( resid 50 and name H) ( resid 51 and name H) 3.8 0.8 0.8 volume=0.602 peak=894 ppm1=7.523 ppm2=9.526 assign ( resid 100 and name H) ( resid 97 and name HB2) 4.1 0.8 0.8 volume=0.376 peak=192 ppm1=8.886 ppm2=3.194 assign ( resid 105 and name H) ( resid 104 and name H) 3.5 0.7 0.7 volume=0.965 peak=86 ppm1=9.114 ppm2=8.796 assign ( resid 63 and name H) ( resid 63 and name HA3) 2.6 0.5 0.5 volume=5.622 peak=413 ppm1=8.138 ppm2=4.357 assign ( resid 127 and name H) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.356 peak=723 ppm1=9.570 ppm2=9.778 assign ( resid 37 and name H) ( resid 35 and name HD2) 3.5 0.7 0.7 volume=0.983 peak=349 ppm1=7.311 ppm2=1.585 assign ( resid 98 and name H) ( resid 98 and name HB2) 2.9 0.6 0.6 volume=3.084 peak=416 ppm1=6.512 ppm2=1.408 assign ( resid 79 and name H) ( resid 80 and name HA3) 4.6 0.9 0.9 volume=0.189 peak=110 ppm1=8.511 ppm2=3.822 assign ( resid 67 and name H) ( resid 60 and name HD21) 4.1 0.8 0.8 volume=0.373 peak=530 ppm1=8.201 ppm2=6.963 assign ( resid 67 and name H) ( resid 57 and name HG2) 4.1 0.8 0.8 volume=0.379 peak=464 ppm1=8.197 ppm2=1.134 assign ( resid 63 and name H) ( resid 63 and name HA2) 2.7 0.5 0.5 volume=4.748 peak=1006 ppm1=8.138 ppm2=3.610 assign ( resid 70 and name H) ( resid 69 and name HD2) 3.9 0.8 0.8 volume=0.526 peak=948 ppm1=8.622 ppm2=3.724 assign ( resid 105 and name H) ( resid 104 and name HA3) 3.6 0.7 0.7 volume=0.873 peak=260 ppm1=9.112 ppm2=4.639 assign ( resid 73 and name HE1) ( resid 73 and name HB2) 4.1 0.8 0.8 volume=0.392 peak=760 ppm1=10.102 ppm2=3.036 assign ( resid 73 and name H) ( resid 24 and name HA) 3.7 0.7 0.7 volume=0.679 peak=341 ppm1=9.009 ppm2=4.748 assign ( resid 105 and name H) ( resid 40 and name HG2*) 4.4 0.9 0.9 volume=0.265 peak=595 ppm1=9.116 ppm2=1.174 assign ( resid 63 and name H) ( resid 59 and name HA) 3.6 0.7 0.7 volume=0.865 peak=284 ppm1=8.138 ppm2=4.782 assign ( resid 95 and name H) ( resid 96 and name HG) 3.8 0.8 0.8 volume=0.600 peak=551 ppm1=8.529 ppm2=1.721 assign ( resid 116 and name H) ( resid 116 and name HB2) 3.1 0.6 0.6 volume=2.169 peak=77 ppm1=8.667 ppm2=1.208 assign ( resid 68 and name H) ( resid 66 and name HD*) 4.3 0.9 0.9 volume=0.280 peak=384 ppm1=9.233 ppm2=6.288 assign ( resid 72 and name H) ( resid 70 and name HA) 3.7 0.7 0.7 volume=0.740 peak=220 ppm1=10.229 ppm2=4.729 assign ( resid 106 and name H) ( resid 105 and name HA) 3.3 0.7 0.7 volume=1.449 peak=14 ppm1=8.708 ppm2=4.682 assign ( resid 124 and name H) ( resid 47 and name HG1*) 3.3 0.7 0.7 volume=1.499 peak=144 ppm1=7.410 ppm2=0.723 assign ( resid 96 and name H) ( resid 96 and name HB3) 3.5 0.7 0.7 volume=1.064 peak=334 ppm1=7.927 ppm2=1.130 assign ( resid 15 and name H) ( resid 15 and name HB2) 3.2 0.6 0.6 volume=1.562 peak=442 ppm1=8.044 ppm2=2.236 assign ( resid 91 and name H) ( resid 89 and name HA) 3.7 0.7 0.7 volume=0.704 peak=463 ppm1=7.015 ppm2=5.205 assign ( resid 123 and name H) ( resid 47 and name HG2*) 3.6 0.7 0.7 volume=0.862 peak=327 ppm1=9.547 ppm2=0.675 assign ( resid 96 and name H) ( resid 95 and name H) 3.3 0.7 0.7 volume=1.306 peak=548 ppm1=7.925 ppm2=8.529 assign ( resid 68 and name H) ( resid 67 and name HB3) 3.0 0.6 0.6 volume=2.318 peak=143 ppm1=9.239 ppm2=1.669 assign ( resid 16 and name H) ( resid 11 and name H) 3.6 0.7 0.7 volume=0.904 peak=215 ppm1=8.057 ppm2=8.608 assign ( resid 29 and name H) ( resid 28 and name HB2) 3.1 0.6 0.6 volume=2.129 peak=417 ppm1=8.020 ppm2=1.930 assign ( resid 73 and name HE1) ( resid 56 and name HD1*) 3.9 0.8 0.8 volume=0.511 peak=1018 ppm1=10.102 ppm2=-0.701 assign ( resid 91 and name H) ( resid 90 and name HG3) 3.1 0.6 0.6 volume=1.937 peak=306 ppm1=7.014 ppm2=2.082 assign ( resid 60 and name H) ( resid 60 and name HD21) 3.8 0.8 0.8 volume=0.614 peak=256 ppm1=9.423 ppm2=6.952 assign ( resid 7 and name H) ( resid 6 and name H) 3.8 0.8 0.8 volume=0.577 peak=1067 ppm1=8.655 ppm2=7.721 assign ( resid 24 and name H) ( resid 20 and name HA) 3.4 0.7 0.7 volume=1.143 peak=701 ppm1=7.599 ppm2=4.451 assign ( resid 101 and name H) ( resid 100 and name HG3) 3.5 0.7 0.7 volume=0.928 peak=161 ppm1=7.179 ppm2=1.624 assign ( resid 16 and name H) ( resid 16 and name HB3) 3.2 0.6 0.6 volume=1.573 peak=546 ppm1=8.057 ppm2=2.489 assign ( resid 56 and name H) ( resid 56 and name HB2) 3.5 0.7 0.7 volume=1.072 peak=580 ppm1=8.164 ppm2=1.390 assign ( resid 101 and name H) ( resid 100 and name HB2) 4.1 0.8 0.8 volume=0.393 peak=1088 ppm1=7.178 ppm2=2.284 assign ( resid 88 and name HE1) ( resid 102 and name HA) 4.8 1.0 1.0 volume=0.149 peak=57 ppm1=10.892 ppm2=4.635 assign ( resid 78 and name HE1) ( resid 78 and name HD1) 4.1 0.8 0.8 volume=0.378 peak=574 ppm1=8.734 ppm2=6.953 assign ( resid 83 and name H) ( resid 76 and name HD1*) 4.3 0.9 0.9 volume=0.312 peak=926 ppm1=8.292 ppm2=0.141 assign ( resid 100 and name H) ( resid 98 and name H) 3.9 0.8 0.8 volume=0.535 peak=769 ppm1=8.890 ppm2=6.510 assign ( resid 117 and name H) ( resid 116 and name HD1*) 4.0 0.8 0.8 volume=0.450 peak=304 ppm1=8.857 ppm2=0.375 assign ( resid 38 and name H) ( resid 38 and name HA) 3.2 0.6 0.6 volume=1.754 peak=664 ppm1=7.727 ppm2=4.580 assign ( resid 45 and name H) ( resid 126 and name HB) 3.6 0.7 0.7 volume=0.791 peak=902 ppm1=9.262 ppm2=1.780 assign ( resid 47 and name H) ( resid 122 and name HA) 4.3 0.9 0.9 volume=0.275 peak=817 ppm1=8.271 ppm2=3.689 assign ( resid 14 and name HD21) ( resid 14 and name HD22) 2.7 0.5 0.5 volume=4.860 peak=654 ppm1=7.077 ppm2=9.003 assign ( resid 55 and name H) ( resid 55 and name HG2*) 2.9 0.6 0.6 volume=3.005 peak=622 ppm1=8.399 ppm2=0.809 assign ( resid 11 and name H) ( resid 17 and name HA) 3.9 0.8 0.8 volume=0.516 peak=322 ppm1=8.606 ppm2=5.618 assign ( resid 37 and name H) ( resid 36 and name HD3) 4.1 0.8 0.8 volume=0.415 peak=855 ppm1=7.310 ppm2=3.717 assign ( resid 89 and name H) ( resid 89 and name HB3) 3.0 0.6 0.6 volume=2.588 peak=978 ppm1=7.143 ppm2=1.621 assign ( resid 97 and name H) ( resid 96 and name HD2*) 4.3 0.9 0.9 volume=0.274 peak=671 ppm1=9.591 ppm2=0.719 assign ( resid 115 and name H) ( resid 117 and name H) 4.2 0.8 0.8 volume=0.338 peak=718 ppm1=6.761 ppm2=8.863 assign ( resid 120 and name H) ( resid 119 and name HG3) 3.8 0.8 0.8 volume=0.602 peak=496 ppm1=7.303 ppm2=2.712 assign ( resid 54 and name H) ( resid 53 and name H) 3.0 0.6 0.6 volume=2.637 peak=402 ppm1=7.101 ppm2=8.333 assign ( resid 124 and name H) ( resid 120 and name HG2*) 3.4 0.7 0.7 volume=1.284 peak=32 ppm1=7.410 ppm2=0.584 assign ( resid 86 and name H) ( resid 85 and name H) 4.2 0.8 0.8 volume=0.359 peak=980 ppm1=8.074 ppm2=10.379 assign ( resid 25 and name H) ( resid 24 and name H) 3.4 0.7 0.7 volume=1.134 peak=22 ppm1=8.701 ppm2=7.602 assign ( resid 17 and name H) ( resid 17 and name HB3) 3.3 0.7 0.7 volume=1.487 peak=922 ppm1=8.248 ppm2=1.481 assign ( resid 7 and name H) ( resid 19 and name HE*) 3.7 0.7 0.7 volume=0.711 peak=454 ppm1=8.658 ppm2=6.503 assign ( resid 60 and name H) ( resid 66 and name HD*) 4.2 0.8 0.8 volume=0.339 peak=858 ppm1=9.423 ppm2=6.293 assign ( resid 108 and name H) ( resid 107 and name HA) 3.2 0.6 0.6 volume=1.629 peak=900 ppm1=8.192 ppm2=4.007 assign ( resid 101 and name H) ( resid 101 and name HA3) 3.1 0.6 0.6 volume=1.967 peak=539 ppm1=7.180 ppm2=4.237 assign ( resid 46 and name H) ( resid 45 and name H) 4.5 0.9 0.9 volume=0.227 peak=972 ppm1=7.914 ppm2=9.249 assign ( resid 95 and name H) ( resid 97 and name HE1) 4.6 0.9 0.9 volume=0.188 peak=724 ppm1=8.524 ppm2=10.661 assign ( resid 14 and name HD22) ( resid 14 and name HA) 4.3 0.9 0.9 volume=0.297 peak=1072 ppm1=9.009 ppm2=4.821 assign ( resid 88 and name HE1) ( resid 100 and name HA) 4.1 0.8 0.8 volume=0.388 peak=319 ppm1=10.891 ppm2=4.779 assign ( resid 79 and name H) ( resid 80 and name HA2) 3.8 0.8 0.8 volume=0.580 peak=80 ppm1=8.518 ppm2=4.661 assign ( resid 13 and name H) ( resid 12 and name HB3) 3.6 0.7 0.7 volume=0.887 peak=770 ppm1=9.097 ppm2=0.944 assign ( resid 7 and name H) ( resid 20 and name HD*) 4.0 0.8 0.8 volume=0.431 peak=194 ppm1=8.660 ppm2=6.206 assign ( resid 107 and name H) ( resid 107 and name HB2) 3.3 0.7 0.7 volume=1.450 peak=262 ppm1=8.987 ppm2=3.431 assign ( resid 129 and name H) ( resid 10 and name HB) 3.7 0.7 0.7 volume=0.745 peak=610 ppm1=8.828 ppm2=2.147 assign ( resid 79 and name H) ( resid 81 and name H) 4.2 0.8 0.8 volume=0.336 peak=944 ppm1=8.518 ppm2=8.696 assign ( resid 48 and name HE1) ( resid 77 and name HA) 4.3 0.9 0.9 volume=0.297 peak=625 ppm1=9.252 ppm2=4.694 assign ( resid 12 and name H) ( resid 12 and name HA) 3.8 0.8 0.8 volume=0.648 peak=283 ppm1=9.562 ppm2=3.692 assign ( resid 107 and name H) ( resid 33 and name HA) 3.8 0.8 0.8 volume=0.656 peak=608 ppm1=8.990 ppm2=4.847 assign ( resid 101 and name H) ( resid 35 and name HB2) 3.9 0.8 0.8 volume=0.544 peak=722 ppm1=7.180 ppm2=2.148 assign ( resid 57 and name H) ( resid 56 and name HD2*) 3.5 0.7 0.7 volume=0.943 peak=750 ppm1=8.066 ppm2=-0.100 assign ( resid 74 and name H) ( resid 54 and name HB*) 4.3 0.9 0.9 volume=0.296 peak=469 ppm1=7.917 ppm2=0.904 assign ( resid 118 and name H) ( resid 116 and name HB3) 3.9 0.8 0.8 volume=0.540 peak=789 ppm1=7.185 ppm2=1.771 assign ( resid 6 and name H) ( resid 7 and name H) 4.1 0.8 0.8 volume=0.397 peak=1049 ppm1=7.724 ppm2=8.656 assign ( resid 23 and name H) ( resid 127 and name HB3) 4.0 0.8 0.8 volume=0.433 peak=563 ppm1=8.849 ppm2=1.845 assign ( resid 37 and name H) ( resid 100 and name HA) 3.8 0.8 0.8 volume=0.594 peak=1069 ppm1=7.311 ppm2=4.780 assign ( resid 40 and name H) ( resid 40 and name HA) 3.4 0.7 0.7 volume=1.201 peak=396 ppm1=8.704 ppm2=4.453 assign ( resid 129 and name H) ( resid 10 and name H) 4.2 0.8 0.8 volume=0.320 peak=211 ppm1=8.829 ppm2=9.787 assign ( resid 12 and name H) ( resid 12 and name HB3) 3.5 0.7 0.7 volume=0.927 peak=886 ppm1=9.562 ppm2=0.938 assign ( resid 93 and name H) ( resid 92 and name HB2) 3.2 0.6 0.6 volume=1.715 peak=182 ppm1=7.989 ppm2=2.573 assign ( resid 115 and name H) ( resid 115 and name HG3) 3.1 0.6 0.6 volume=1.937 peak=964 ppm1=6.758 ppm2=2.185 assign ( resid 62 and name H) ( resid 62 and name HA) 2.9 0.6 0.6 volume=2.876 peak=227 ppm1=7.733 ppm2=4.530 assign ( resid 27 and name H) ( resid 27 and name HB2) 3.3 0.7 0.7 volume=1.345 peak=285 ppm1=7.630 ppm2=1.373 assign ( resid 55 and name H) ( resid 70 and name HG2*) 4.0 0.8 0.8 volume=0.463 peak=655 ppm1=8.403 ppm2=0.509 assign ( resid 79 and name H) ( resid 80 and name H) 3.6 0.7 0.7 volume=0.904 peak=1098 ppm1=8.521 ppm2=7.904 assign ( resid 22 and name H) ( resid 24 and name H) 4.4 0.9 0.9 volume=0.270 peak=620 ppm1=8.649 ppm2=7.600 assign ( resid 20 and name H) ( resid 19 and name HA) 3.2 0.6 0.6 volume=1.626 peak=1099 ppm1=8.986 ppm2=5.353 assign ( resid 97 and name H) ( resid 98 and name H) 4.3 0.9 0.9 volume=0.278 peak=961 ppm1=9.597 ppm2=6.508 assign ( resid 115 and name H) ( resid 114 and name HB2) 2.9 0.6 0.6 volume=3.310 peak=500 ppm1=6.758 ppm2=1.744 assign ( resid 98 and name H) ( resid 100 and name H) 3.7 0.7 0.7 volume=0.727 peak=148 ppm1=6.514 ppm2=8.887 assign ( resid 13 and name H) ( resid 14 and name HB2) 4.0 0.8 0.8 volume=0.424 peak=1050 ppm1=9.096 ppm2=2.864 assign ( resid 21 and name H) ( resid 20 and name H) 4.0 0.8 0.8 volume=0.434 peak=695 ppm1=8.460 ppm2=8.988 assign ( resid 73 and name HE1) ( resid 56 and name HG) 3.8 0.8 0.8 volume=0.652 peak=683 ppm1=10.102 ppm2=0.986 assign ( resid 74 and name H) ( resid 56 and name HD1*) 4.8 1.0 1.0 volume=0.157 peak=674 ppm1=7.923 ppm2=-0.710 assign ( resid 13 and name H) ( resid 12 and name HD2*) 3.8 0.8 0.8 volume=0.622 peak=388 ppm1=9.097 ppm2=0.408 assign ( resid 86 and name H) ( resid 113 and name HB2) 3.5 0.7 0.7 volume=0.939 peak=919 ppm1=8.077 ppm2=2.165 assign ( resid 85 and name H) ( resid 70 and name HA) 4.4 0.9 0.9 volume=0.249 peak=225 ppm1=10.377 ppm2=4.743 assign ( resid 13 and name H) ( resid 11 and name HA) 3.8 0.8 0.8 volume=0.612 peak=985 ppm1=9.096 ppm2=4.254 assign ( resid 31 and name H) ( resid 16 and name HA) 3.6 0.7 0.7 volume=0.883 peak=199 ppm1=7.641 ppm2=4.944 assign ( resid 93 and name H) ( resid 92 and name H) 3.6 0.7 0.7 volume=0.865 peak=693 ppm1=7.989 ppm2=8.630 assign ( resid 52 and name H) ( resid 51 and name HG2) 3.0 0.6 0.6 volume=2.719 peak=890 ppm1=8.648 ppm2=2.208 assign ( resid 37 and name H) ( resid 39 and name HD3) 4.0 0.8 0.8 volume=0.449 peak=881 ppm1=7.312 ppm2=3.404 assign ( resid 93 and name H) ( resid 31 and name HG13) 4.3 0.9 0.9 volume=0.293 peak=869 ppm1=7.989 ppm2=0.470 assign ( resid 26 and name H) ( resid 21 and name HB2) 4.4 0.9 0.9 volume=0.242 peak=1100 ppm1=9.287 ppm2=1.526 assign ( resid 77 and name H) ( resid 76 and name HG2*) 3.7 0.7 0.7 volume=0.690 peak=905 ppm1=7.534 ppm2=0.617 assign ( resid 52 and name H) ( resid 53 and name H) 3.9 0.8 0.8 volume=0.537 peak=937 ppm1=8.648 ppm2=8.322 assign ( resid 56 and name H) ( resid 70 and name HG2*) 4.0 0.8 0.8 volume=0.449 peak=468 ppm1=8.164 ppm2=0.509 assign ( resid 26 and name H) ( resid 27 and name H) 3.2 0.6 0.6 volume=1.674 peak=45 ppm1=9.291 ppm2=7.624 assign ( resid 71 and name H) ( resid 71 and name HB2) 3.2 0.6 0.6 volume=1.573 peak=47 ppm1=10.382 ppm2=2.426 assign ( resid 126 and name H) ( resid 76 and name HD1*) 4.6 0.9 0.9 volume=0.193 peak=119 ppm1=8.520 ppm2=0.164 assign ( resid 102 and name H) ( resid 97 and name HB3) 4.4 0.9 0.9 volume=0.243 peak=186 ppm1=8.489 ppm2=3.077 assign ( resid 6 and name H) ( resid 5 and name HA) 3.4 0.7 0.7 volume=1.111 peak=1047 ppm1=7.727 ppm2=4.672 assign ( resid 32 and name H) ( resid 31 and name HB) 3.1 0.6 0.6 volume=2.014 peak=173 ppm1=8.265 ppm2=1.869 assign ( resid 49 and name HD22) ( resid 49 and name HA) 4.4 0.9 0.9 volume=0.256 peak=28 ppm1=7.698 ppm2=4.639 assign ( resid 70 and name H) ( resid 71 and name H) 4.1 0.8 0.8 volume=0.402 peak=231 ppm1=8.621 ppm2=10.381 assign ( resid 15 and name H) ( resid 15 and name HA) 3.0 0.6 0.6 volume=2.416 peak=1 ppm1=8.046 ppm2=3.387 assign ( resid 67 and name H) ( resid 68 and name H) 3.6 0.7 0.7 volume=0.792 peak=329 ppm1=8.199 ppm2=9.239 assign ( resid 98 and name H) ( resid 98 and name HD3) 3.3 0.7 0.7 volume=1.512 peak=587 ppm1=6.514 ppm2=1.256 assign ( resid 28 and name H) ( resid 19 and name H) 4.2 0.8 0.8 volume=0.324 peak=466 ppm1=8.449 ppm2=9.155 assign ( resid 123 and name H) ( resid 124 and name H) 3.7 0.7 0.7 volume=0.723 peak=84 ppm1=9.546 ppm2=7.406 assign ( resid 93 and name H) ( resid 93 and name HA2) 3.1 0.6 0.6 volume=2.218 peak=592 ppm1=7.992 ppm2=4.399 assign ( resid 117 and name H) ( resid 116 and name HD2*) 3.4 0.7 0.7 volume=1.148 peak=556 ppm1=8.859 ppm2=0.618 assign ( resid 21 and name H) ( resid 25 and name HA) 3.4 0.7 0.7 volume=1.299 peak=898 ppm1=8.462 ppm2=3.255 assign ( resid 4 and name H) ( resid 3 and name HA) 2.7 0.5 0.5 volume=4.647 peak=849 ppm1=8.353 ppm2=4.352 assign ( resid 35 and name H) ( resid 35 and name HB3) 3.8 0.8 0.8 volume=0.605 peak=461 ppm1=8.328 ppm2=1.438 assign ( resid 101 and name H) ( resid 101 and name HA2) 3.3 0.7 0.7 volume=1.478 peak=615 ppm1=7.179 ppm2=4.331 assign ( resid 122 and name H) ( resid 121 and name HB3) 3.4 0.7 0.7 volume=1.288 peak=974 ppm1=9.204 ppm2=2.063 assign ( resid 16 and name H) ( resid 14 and name HB2) 3.4 0.7 0.7 volume=1.153 peak=571 ppm1=8.057 ppm2=2.859 assign ( resid 83 and name H) ( resid 83 and name HB) 3.3 0.7 0.7 volume=1.553 peak=6 ppm1=8.295 ppm2=1.462 assign ( resid 96 and name H) ( resid 32 and name HG1*) 3.8 0.8 0.8 volume=0.597 peak=911 ppm1=7.928 ppm2=1.007 assign ( resid 99 and name H) ( resid 98 and name HG2) 4.0 0.8 0.8 volume=0.437 peak=761 ppm1=7.389 ppm2=-0.179 assign ( resid 25 and name H) ( resid 25 and name HB) 2.7 0.5 0.5 volume=4.955 peak=874 ppm1=8.701 ppm2=1.911 assign ( resid 71 and name HD21) ( resid 71 and name HD22) 2.3 0.5 0.5 volume=13.967 peak=265 ppm1=7.446 ppm2=6.947 assign ( resid 11 and name H) ( resid 11 and name HB2) 3.5 0.7 0.7 volume=1.045 peak=133 ppm1=8.605 ppm2=2.840 assign ( resid 98 and name H) ( resid 100 and name HA) 3.9 0.8 0.8 volume=0.488 peak=705 ppm1=6.514 ppm2=4.778 assign ( resid 23 and name H) ( resid 22 and name HB3) 4.1 0.8 0.8 volume=0.366 peak=206 ppm1=8.846 ppm2=2.886 assign ( resid 105 and name H) ( resid 81 and name HG1*) 4.4 0.9 0.9 volume=0.249 peak=936 ppm1=9.116 ppm2=0.783 assign ( resid 27 and name H) ( resid 27 and name HB3) 3.3 0.7 0.7 volume=1.348 peak=336 ppm1=7.631 ppm2=1.782 assign ( resid 13 and name H) ( resid 129 and name HA) 4.2 0.8 0.8 volume=0.323 peak=618 ppm1=9.099 ppm2=4.819 assign ( resid 60 and name HD22) ( resid 60 and name HD21) 2.9 0.6 0.6 volume=3.341 peak=451 ppm1=7.594 ppm2=6.955 assign ( resid 85 and name H) ( resid 84 and name HB2) 3.6 0.7 0.7 volume=0.800 peak=147 ppm1=10.377 ppm2=3.699 assign ( resid 37 and name H) ( resid 38 and name H) 3.1 0.6 0.6 volume=2.030 peak=709 ppm1=7.312 ppm2=7.725 assign ( resid 7 and name H) ( resid 7 and name HE*) 3.8 0.8 0.8 volume=0.636 peak=312 ppm1=8.656 ppm2=6.328 assign ( resid 49 and name H) ( resid 50 and name H) 3.8 0.8 0.8 volume=0.607 peak=541 ppm1=7.237 ppm2=7.520 assign ( resid 49 and name HD21) ( resid 49 and name HD22) 2.8 0.6 0.6 volume=4.107 peak=271 ppm1=7.238 ppm2=7.698 assign ( resid 51 and name H) ( resid 50 and name H) 3.5 0.7 0.7 volume=1.034 peak=904 ppm1=9.526 ppm2=7.509 assign ( resid 128 and name H) ( resid 128 and name HA) 3.0 0.6 0.6 volume=2.407 peak=70 ppm1=9.119 ppm2=5.060 assign ( resid 23 and name H) ( resid 20 and name HB2) 4.1 0.8 0.8 volume=0.395 peak=479 ppm1=8.848 ppm2=2.021 assign ( resid 99 and name H) ( resid 99 and name HB) 3.7 0.7 0.7 volume=0.729 peak=268 ppm1=7.391 ppm2=4.158 assign ( resid 24 and name H) ( resid 23 and name HA2) 3.1 0.6 0.6 volume=2.093 peak=982 ppm1=7.599 ppm2=4.198 assign ( resid 60 and name HD21) ( resid 66 and name HB2) 3.9 0.8 0.8 volume=0.501 peak=613 ppm1=6.958 ppm2=2.891 assign ( resid 122 and name H) ( resid 122 and name HA) 3.6 0.7 0.7 volume=0.885 peak=272 ppm1=9.204 ppm2=3.678 assign ( resid 43 and name H) ( resid 43 and name HA2) 3.6 0.7 0.7 volume=0.895 peak=910 ppm1=9.201 ppm2=3.624 assign ( resid 16 and name H) ( resid 16 and name HA) 3.5 0.7 0.7 volume=1.047 peak=508 ppm1=8.059 ppm2=4.951 assign ( resid 129 and name H) ( resid 11 and name HA) 3.9 0.8 0.8 volume=0.491 peak=885 ppm1=8.828 ppm2=4.259 assign ( resid 92 and name H) ( resid 91 and name HB2) 3.3 0.7 0.7 volume=1.425 peak=513 ppm1=8.627 ppm2=1.638 assign ( resid 38 and name H) ( resid 35 and name HG3) 3.3 0.7 0.7 volume=1.516 peak=560 ppm1=7.726 ppm2=1.587 assign ( resid 77 and name H) ( resid 76 and name HB) 4.6 0.9 0.9 volume=0.185 peak=811 ppm1=7.539 ppm2=1.956 assign ( resid 79 and name H) ( resid 78 and name HB2) 4.6 0.9 0.9 volume=0.184 peak=1061 ppm1=8.520 ppm2=3.120 assign ( resid 54 and name H) ( resid 53 and name HB3) 3.4 0.7 0.7 volume=1.124 peak=3 ppm1=7.101 ppm2=2.588 assign ( resid 55 and name H) ( resid 55 and name HB) 2.9 0.6 0.6 volume=2.895 peak=841 ppm1=8.405 ppm2=3.725 assign ( resid 56 and name H) ( resid 56 and name HD1*) 3.5 0.7 0.7 volume=1.029 peak=790 ppm1=8.162 ppm2=-0.701 assign ( resid 53 and name H) ( resid 73 and name H) 4.2 0.8 0.8 volume=0.312 peak=364 ppm1=8.326 ppm2=8.994 assign ( resid 66 and name H) ( resid 66 and name HE*) 4.4 0.9 0.9 volume=0.268 peak=909 ppm1=8.095 ppm2=5.994 assign ( resid 57 and name H) ( resid 68 and name H) 4.3 0.9 0.9 volume=0.279 peak=287 ppm1=8.068 ppm2=9.235 assign ( resid 21 and name H) ( resid 20 and name HD*) 4.0 0.8 0.8 volume=0.466 peak=1046 ppm1=8.465 ppm2=6.207 assign ( resid 114 and name H) ( resid 113 and name H) 3.3 0.7 0.7 volume=1.346 peak=544 ppm1=7.504 ppm2=8.615 assign ( resid 99 and name H) ( resid 100 and name H) 3.0 0.6 0.6 volume=2.564 peak=351 ppm1=7.390 ppm2=8.890 assign ( resid 22 and name H) ( resid 22 and name HB3) 3.8 0.8 0.8 volume=0.655 peak=183 ppm1=8.647 ppm2=2.889 assign ( resid 79 and name H) ( resid 79 and name HG2*) 3.7 0.7 0.7 volume=0.734 peak=152 ppm1=8.518 ppm2=1.087 assign ( resid 50 and name H) ( resid 50 and name HB3) 3.1 0.6 0.6 volume=1.910 peak=575 ppm1=7.519 ppm2=1.308 assign ( resid 16 and name H) ( resid 12 and name H) 4.3 0.9 0.9 volume=0.299 peak=33 ppm1=8.059 ppm2=9.569 assign ( resid 72 and name H) ( resid 71 and name HA) 3.8 0.8 0.8 volume=0.615 peak=425 ppm1=10.226 ppm2=4.310 assign ( resid 29 and name H) ( resid 28 and name HA) 2.9 0.6 0.6 volume=3.134 peak=1095 ppm1=8.020 ppm2=4.978 assign ( resid 23 and name H) ( resid 21 and name HG2) 4.3 0.9 0.9 volume=0.288 peak=296 ppm1=8.847 ppm2=1.185 assign ( resid 119 and name H) ( resid 119 and name HA) 3.1 0.6 0.6 volume=2.200 peak=281 ppm1=7.344 ppm2=4.450 assign ( resid 96 and name H) ( resid 97 and name HB3) 3.9 0.8 0.8 volume=0.498 peak=534 ppm1=7.927 ppm2=3.086 assign ( resid 64 and name H) ( resid 59 and name HA) 3.2 0.6 0.6 volume=1.607 peak=450 ppm1=8.117 ppm2=4.781 assign ( resid 49 and name HD22) ( resid 49 and name HB2) 3.8 0.8 0.8 volume=0.652 peak=380 ppm1=7.700 ppm2=2.592 assign ( resid 59 and name H) ( resid 58 and name HA2) 2.6 0.5 0.5 volume=5.747 peak=981 ppm1=8.493 ppm2=3.890 assign ( resid 129 and name H) ( resid 12 and name HG) 3.8 0.8 0.8 volume=0.641 peak=385 ppm1=8.828 ppm2=1.442 assign ( resid 45 and name H) ( resid 46 and name H) 4.4 0.9 0.9 volume=0.251 peak=155 ppm1=9.261 ppm2=7.913 assign ( resid 84 and name H) ( resid 106 and name HB) 3.3 0.7 0.7 volume=1.325 peak=995 ppm1=8.060 ppm2=1.719 assign ( resid 123 and name H) ( resid 122 and name HB2) 3.6 0.7 0.7 volume=0.871 peak=946 ppm1=9.546 ppm2=1.683 assign ( resid 60 and name HD21) ( resid 60 and name HA) 3.9 0.8 0.8 volume=0.512 peak=19 ppm1=6.959 ppm2=4.916 assign ( resid 121 and name H) ( resid 120 and name HA) 2.9 0.6 0.6 volume=2.823 peak=455 ppm1=8.104 ppm2=3.643 assign ( resid 47 and name H) ( resid 46 and name HB2) 3.7 0.7 0.7 volume=0.711 peak=773 ppm1=8.271 ppm2=2.771 assign ( resid 56 and name H) ( resid 67 and name HG2) 4.1 0.8 0.8 volume=0.408 peak=907 ppm1=8.164 ppm2=1.903 assign ( resid 113 and name H) ( resid 85 and name HB3) 3.8 0.8 0.8 volume=0.635 peak=825 ppm1=8.601 ppm2=2.390 assign ( resid 21 and name H) ( resid 21 and name HA) 3.1 0.6 0.6 volume=2.195 peak=81 ppm1=8.465 ppm2=4.538 assign ( resid 29 and name H) ( resid 29 and name HB) 3.8 0.8 0.8 volume=0.654 peak=118 ppm1=8.021 ppm2=3.960 assign ( resid 60 and name HD21) ( resid 60 and name HB3) 3.3 0.7 0.7 volume=1.475 peak=72 ppm1=6.958 ppm2=3.048 assign ( resid 124 and name H) ( resid 121 and name H) 4.2 0.8 0.8 volume=0.325 peak=522 ppm1=7.407 ppm2=8.106 assign ( resid 20 and name H) ( resid 22 and name H) 3.8 0.8 0.8 volume=0.657 peak=502 ppm1=8.986 ppm2=8.656 assign ( resid 73 and name HE1) ( resid 73 and name HD1) 3.3 0.7 0.7 volume=1.315 peak=38 ppm1=10.102 ppm2=7.068 assign ( resid 111 and name H) ( resid 111 and name HB3) 3.6 0.7 0.7 volume=0.871 peak=382 ppm1=8.930 ppm2=4.114 assign ( resid 73 and name H) ( resid 70 and name HG2*) 3.9 0.8 0.8 volume=0.555 peak=181 ppm1=9.007 ppm2=0.508 assign ( resid 35 and name H) ( resid 35 and name HG2) 3.7 0.7 0.7 volume=0.703 peak=929 ppm1=8.331 ppm2=1.139 assign ( resid 71 and name HD22) ( resid 71 and name HB2) 3.4 0.7 0.7 volume=1.134 peak=787 ppm1=6.952 ppm2=2.426 assign ( resid 30 and name H) ( resid 17 and name H) 4.4 0.9 0.9 volume=0.266 peak=409 ppm1=8.405 ppm2=8.226 assign ( resid 122 and name H) ( resid 122 and name HG2) 3.6 0.7 0.7 volume=0.863 peak=282 ppm1=9.202 ppm2=1.059 assign ( resid 93 and name H) ( resid 32 and name HA) 4.0 0.8 0.8 volume=0.451 peak=550 ppm1=7.994 ppm2=4.789 assign ( resid 43 and name H) ( resid 42 and name HA) 3.1 0.6 0.6 volume=2.119 peak=698 ppm1=9.202 ppm2=4.392 assign ( resid 64 and name H) ( resid 60 and name HB2) 3.2 0.6 0.6 volume=1.746 peak=781 ppm1=8.116 ppm2=3.055 assign ( resid 35 and name H) ( resid 35 and name HA) 4.0 0.8 0.8 volume=0.429 peak=250 ppm1=8.331 ppm2=5.115 assign ( resid 77 and name H) ( resid 76 and name H) 3.7 0.7 0.7 volume=0.745 peak=150 ppm1=7.533 ppm2=8.185 assign ( resid 13 and name H) ( resid 12 and name HG) 3.9 0.8 0.8 volume=0.543 peak=179 ppm1=9.096 ppm2=1.447 assign ( resid 82 and name H) ( resid 105 and name HA) 3.5 0.7 0.7 volume=0.949 peak=1074 ppm1=7.708 ppm2=4.689 assign ( resid 5 and name H) ( resid 23 and name HA3) 4.2 0.8 0.8 volume=0.328 peak=49 ppm1=8.431 ppm2=3.772 assign ( resid 107 and name H) ( resid 106 and name H) 4.1 0.8 0.8 volume=0.376 peak=1037 ppm1=8.988 ppm2=8.705 assign ( resid 42 and name H) ( resid 43 and name H) 3.8 0.8 0.8 volume=0.615 peak=549 ppm1=7.579 ppm2=9.192 assign ( resid 74 and name H) ( resid 73 and name HA) 3.4 0.7 0.7 volume=1.257 peak=864 ppm1=7.920 ppm2=5.744 assign ( resid 91 and name H) ( resid 89 and name HB2) 3.8 0.8 0.8 volume=0.573 peak=307 ppm1=7.017 ppm2=1.155 assign ( resid 73 and name H) ( resid 73 and name HB3) 3.5 0.7 0.7 volume=0.979 peak=932 ppm1=9.006 ppm2=2.806 assign ( resid 118 and name H) ( resid 117 and name HB3) 3.5 0.7 0.7 volume=1.003 peak=1092 ppm1=7.183 ppm2=2.564 assign ( resid 86 and name H) ( resid 108 and name HB) 3.8 0.8 0.8 volume=0.610 peak=581 ppm1=8.075 ppm2=3.414 assign ( resid 11 and name H) ( resid 10 and name H) 4.5 0.9 0.9 volume=0.220 peak=354 ppm1=8.602 ppm2=9.778 assign ( resid 21 and name H) ( resid 6 and name HA) 4.1 0.8 0.8 volume=0.382 peak=597 ppm1=8.463 ppm2=5.217 assign ( resid 96 and name H) ( resid 94 and name HA3) 3.4 0.7 0.7 volume=1.111 peak=328 ppm1=7.926 ppm2=3.977 assign ( resid 99 and name H) ( resid 100 and name HG3) 3.6 0.7 0.7 volume=0.780 peak=774 ppm1=7.389 ppm2=1.649 assign ( resid 106 and name H) ( resid 106 and name HB) 3.5 0.7 0.7 volume=1.014 peak=764 ppm1=8.707 ppm2=1.718 assign ( resid 9 and name H) ( resid 9 and name HB3) 3.3 0.7 0.7 volume=1.444 peak=248 ppm1=9.751 ppm2=2.574 assign ( resid 71 and name HD22) ( resid 71 and name HD21) 2.3 0.5 0.5 volume=12.117 peak=830 ppm1=6.952 ppm2=7.447 assign ( resid 14 and name HD21) ( resid 14 and name HB3) 3.3 0.7 0.7 volume=1.505 peak=171 ppm1=7.077 ppm2=2.259 assign ( resid 115 and name H) ( resid 114 and name H) 3.2 0.6 0.6 volume=1.754 peak=369 ppm1=6.757 ppm2=7.505 assign ( resid 57 and name H) ( resid 57 and name HA) 3.0 0.6 0.6 volume=2.584 peak=166 ppm1=8.067 ppm2=4.626 assign ( resid 85 and name H) ( resid 113 and name HG3) 3.8 0.8 0.8 volume=0.610 peak=1089 ppm1=10.374 ppm2=3.548 assign ( resid 71 and name H) ( resid 70 and name HA) 3.1 0.6 0.6 volume=1.957 peak=876 ppm1=10.383 ppm2=4.726 assign ( resid 9 and name H) ( resid 8 and name HA) 3.1 0.6 0.6 volume=2.046 peak=737 ppm1=9.750 ppm2=5.316 assign ( resid 88 and name HE1) ( resid 19 and name HA) 4.8 1.0 1.0 volume=0.159 peak=435 ppm1=10.887 ppm2=5.383 assign ( resid 119 and name H) ( resid 120 and name HG1*) 3.5 0.7 0.7 volume=1.069 peak=404 ppm1=7.344 ppm2=0.153 assign ( resid 82 and name H) ( resid 105 and name HB2) 4.2 0.8 0.8 volume=0.354 peak=747 ppm1=7.711 ppm2=2.935 assign ( resid 129 and name H) ( resid 12 and name HB2) 4.2 0.8 0.8 volume=0.320 peak=1077 ppm1=8.830 ppm2=1.804 assign ( resid 27 and name H) ( resid 19 and name HB3) 3.5 0.7 0.7 volume=0.975 peak=264 ppm1=7.630 ppm2=2.724 assign ( resid 89 and name H) ( resid 90 and name HA) 3.5 0.7 0.7 volume=0.999 peak=145 ppm1=7.143 ppm2=4.494 assign ( resid 47 and name H) ( resid 124 and name HB) 4.3 0.9 0.9 volume=0.289 peak=734 ppm1=8.272 ppm2=3.804 assign ( resid 118 and name H) ( resid 117 and name H) 3.4 0.7 0.7 volume=1.107 peak=1041 ppm1=7.183 ppm2=8.853 assign ( resid 13 and name H) ( resid 15 and name HB2) 2.8 0.6 0.6 volume=3.855 peak=452 ppm1=9.095 ppm2=2.232 assign ( resid 49 and name H) ( resid 48 and name HD1) 4.5 0.9 0.9 volume=0.230 peak=958 ppm1=7.238 ppm2=6.455 assign ( resid 93 and name H) ( resid 92 and name HD*) 4.4 0.9 0.9 volume=0.237 peak=395 ppm1=7.988 ppm2=6.762 assign ( resid 111 and name H) ( resid 110 and name HB3) 3.8 0.8 0.8 volume=0.623 peak=860 ppm1=8.931 ppm2=2.649 assign ( resid 121 and name H) ( resid 118 and name H) 3.6 0.7 0.7 volume=0.840 peak=624 ppm1=8.104 ppm2=7.174 assign ( resid 34 and name H) ( resid 40 and name H) 4.1 0.8 0.8 volume=0.405 peak=771 ppm1=8.161 ppm2=8.688 assign ( resid 71 and name HD21) ( resid 71 and name H) 3.7 0.7 0.7 volume=0.730 peak=1057 ppm1=7.445 ppm2=10.382 assign ( resid 72 and name H) ( resid 71 and name H) 3.2 0.6 0.6 volume=1.865 peak=56 ppm1=10.229 ppm2=10.383 assign ( resid 72 and name H) ( resid 72 and name HA) 3.9 0.8 0.8 volume=0.552 peak=213 ppm1=10.232 ppm2=4.474 assign ( resid 27 and name H) ( resid 26 and name HA) 2.8 0.6 0.6 volume=3.520 peak=727 ppm1=7.630 ppm2=4.447 assign ( resid 126 and name H) ( resid 45 and name H) 4.0 0.8 0.8 volume=0.480 peak=61 ppm1=8.525 ppm2=9.254 assign ( resid 59 and name H) ( resid 58 and name HA3) 2.7 0.5 0.5 volume=4.633 peak=584 ppm1=8.493 ppm2=3.354 assign ( resid 62 and name H) ( resid 63 and name HA2) 3.6 0.7 0.7 volume=0.790 peak=471 ppm1=7.733 ppm2=3.606 assign ( resid 40 and name H) ( resid 33 and name HG) 4.4 0.9 0.9 volume=0.245 peak=335 ppm1=8.707 ppm2=5.900 assign ( resid 21 and name H) ( resid 20 and name HA) 2.7 0.5 0.5 volume=4.353 peak=717 ppm1=8.462 ppm2=4.448 assign ( resid 64 and name H) ( resid 62 and name H) 3.7 0.7 0.7 volume=0.679 peak=410 ppm1=8.117 ppm2=7.734 assign ( resid 71 and name HD22) ( resid 72 and name H) 4.5 0.9 0.9 volume=0.224 peak=650 ppm1=6.951 ppm2=10.223 assign ( resid 119 and name H) ( resid 117 and name H) 4.1 0.8 0.8 volume=0.384 peak=456 ppm1=7.344 ppm2=8.856 assign ( resid 88 and name H) ( resid 88 and name HZ3) 4.0 0.8 0.8 volume=0.455 peak=209 ppm1=7.017 ppm2=7.512 assign ( resid 93 and name H) ( resid 100 and name HB2) 3.5 0.7 0.7 volume=0.971 peak=1048 ppm1=7.990 ppm2=2.286 assign ( resid 88 and name H) ( resid 87 and name HA) 3.8 0.8 0.8 volume=0.610 peak=628 ppm1=7.012 ppm2=4.202 assign ( resid 45 and name H) ( resid 45 and name HB2) 4.1 0.8 0.8 volume=0.383 peak=244 ppm1=9.262 ppm2=3.983 assign ( resid 38 and name H) ( resid 37 and name H) 2.9 0.6 0.6 volume=3.228 peak=249 ppm1=7.726 ppm2=7.310 assign ( resid 73 and name HE1) ( resid 56 and name HD2*) 4.7 0.9 0.9 volume=0.172 peak=1020 ppm1=10.104 ppm2=-0.097 assign ( resid 60 and name HD21) ( resid 60 and name HD22) 2.8 0.6 0.6 volume=3.818 peak=232 ppm1=6.958 ppm2=7.596 assign ( resid 80 and name H) ( resid 80 and name HA2) 3.2 0.6 0.6 volume=1.632 peak=670 ppm1=7.909 ppm2=4.669 assign ( resid 117 and name H) ( resid 117 and name HD*) 4.1 0.8 0.8 volume=0.415 peak=246 ppm1=8.859 ppm2=6.958 assign ( resid 48 and name HE1) ( resid 77 and name H) 3.8 0.8 0.8 volume=0.573 peak=356 ppm1=9.253 ppm2=7.518 assign ( resid 102 and name H) ( resid 101 and name H) 3.7 0.7 0.7 volume=0.684 peak=850 ppm1=8.487 ppm2=7.182 assign ( resid 12 and name H) ( resid 11 and name HA) 3.2 0.6 0.6 volume=1.706 peak=125 ppm1=9.562 ppm2=4.254 assign ( resid 71 and name HD22) ( resid 71 and name H) 3.8 0.8 0.8 volume=0.587 peak=288 ppm1=6.953 ppm2=10.385 assign ( resid 89 and name H) ( resid 88 and name HD1) 3.0 0.6 0.6 volume=2.516 peak=191 ppm1=7.145 ppm2=7.053 assign ( resid 28 and name H) ( resid 27 and name H) 3.2 0.6 0.6 volume=1.576 peak=1059 ppm1=8.445 ppm2=7.662 assign ( resid 23 and name H) ( resid 23 and name HA3) 3.0 0.6 0.6 volume=2.409 peak=740 ppm1=8.847 ppm2=3.768 assign ( resid 43 and name H) ( resid 42 and name H) 3.7 0.7 0.7 volume=0.707 peak=843 ppm1=9.202 ppm2=7.533 assign ( resid 99 and name H) ( resid 101 and name H) 3.6 0.7 0.7 volume=0.834 peak=1011 ppm1=7.390 ppm2=7.176 assign ( resid 30 and name H) ( resid 109 and name HG2) 4.7 0.9 0.9 volume=0.175 peak=857 ppm1=8.406 ppm2=-0.104 assign ( resid 24 and name H) ( resid 25 and name H) 3.2 0.6 0.6 volume=1.569 peak=867 ppm1=7.599 ppm2=8.684 assign ( resid 71 and name H) ( resid 70 and name HG1*) 3.5 0.7 0.7 volume=1.077 peak=673 ppm1=10.382 ppm2=0.748 assign ( resid 58 and name H) ( resid 66 and name H) 3.0 0.6 0.6 volume=2.753 peak=531 ppm1=6.602 ppm2=8.085 assign ( resid 19 and name H) ( resid 29 and name H) 4.1 0.8 0.8 volume=0.368 peak=638 ppm1=9.155 ppm2=8.021 assign ( resid 120 and name H) ( resid 120 and name HA) 3.2 0.6 0.6 volume=1.574 peak=779 ppm1=7.304 ppm2=3.647 assign ( resid 24 and name H) ( resid 24 and name HA) 3.0 0.6 0.6 volume=2.633 peak=956 ppm1=7.598 ppm2=4.751 assign ( resid 28 and name H) ( resid 28 and name HA) 3.3 0.7 0.7 volume=1.514 peak=859 ppm1=8.448 ppm2=4.984 assign ( resid 85 and name H) ( resid 72 and name H) 4.2 0.8 0.8 volume=0.319 peak=547 ppm1=10.371 ppm2=10.231 assign ( resid 86 and name H) ( resid 121 and name HG2) 3.3 0.7 0.7 volume=1.496 peak=986 ppm1=8.077 ppm2=2.391 assign ( resid 89 and name H) ( resid 90 and name HB2) 3.4 0.7 0.7 volume=1.205 peak=207 ppm1=7.143 ppm2=1.988 assign ( resid 38 and name H) ( resid 35 and name HG2) 2.9 0.6 0.6 volume=3.269 peak=512 ppm1=7.727 ppm2=1.151 assign ( resid 129 and name H) ( resid 12 and name H) 3.9 0.8 0.8 volume=0.491 peak=100 ppm1=8.827 ppm2=9.568 assign ( resid 120 and name H) ( resid 119 and name HA) 3.4 0.7 0.7 volume=1.228 peak=1102 ppm1=7.301 ppm2=4.449 assign ( resid 120 and name H) ( resid 120 and name HG2*) 3.1 0.6 0.6 volume=2.175 peak=1017 ppm1=7.301 ppm2=0.584 assign ( resid 19 and name H) ( resid 19 and name HD*) 4.1 0.8 0.8 volume=0.405 peak=976 ppm1=9.157 ppm2=6.865 assign ( resid 83 and name H) ( resid 83 and name HD1*) 2.9 0.6 0.6 volume=2.941 peak=503 ppm1=8.295 ppm2=0.659 assign ( resid 121 and name H) ( resid 120 and name HB) 3.9 0.8 0.8 volume=0.510 peak=931 ppm1=8.102 ppm2=1.450 assign ( resid 88 and name HE1) ( resid 88 and name HB2) 3.8 0.8 0.8 volume=0.596 peak=735 ppm1=10.889 ppm2=3.455 assign ( resid 96 and name H) ( resid 96 and name HD2*) 3.1 0.6 0.6 volume=2.152 peak=748 ppm1=7.925 ppm2=0.707 assign ( resid 122 and name H) ( resid 47 and name HG2*) 3.8 0.8 0.8 volume=0.601 peak=235 ppm1=9.207 ppm2=0.666 assign ( resid 29 and name H) ( resid 17 and name HB3) 3.1 0.6 0.6 volume=1.907 peak=983 ppm1=8.021 ppm2=1.499 assign ( resid 35 and name H) ( resid 34 and name HA3) 3.5 0.7 0.7 volume=1.044 peak=984 ppm1=8.331 ppm2=3.728 assign ( resid 26 and name H) ( resid 25 and name HG1*) 3.4 0.7 0.7 volume=1.137 peak=805 ppm1=9.290 ppm2=0.800 assign ( resid 121 and name H) ( resid 121 and name HB2) 3.1 0.6 0.6 volume=1.900 peak=204 ppm1=8.104 ppm2=1.724 assign ( resid 121 and name H) ( resid 121 and name HA) 3.5 0.7 0.7 volume=1.022 peak=785 ppm1=8.104 ppm2=4.409 assign ( resid 37 and name H) ( resid 36 and name HB3) 3.4 0.7 0.7 volume=1.251 peak=315 ppm1=7.311 ppm2=2.006 assign ( resid 45 and name H) ( resid 126 and name H) 4.1 0.8 0.8 volume=0.395 peak=53 ppm1=9.264 ppm2=8.522 assign ( resid 93 and name H) ( resid 93 and name HA3) 3.2 0.6 0.6 volume=1.860 peak=732 ppm1=7.990 ppm2=4.498 assign ( resid 23 and name H) ( resid 5 and name HA) 3.9 0.8 0.8 volume=0.549 peak=953 ppm1=8.847 ppm2=4.678 assign ( resid 58 and name H) ( resid 58 and name HA2) 3.0 0.6 0.6 volume=2.586 peak=20 ppm1=6.602 ppm2=3.902 assign ( resid 85 and name H) ( resid 86 and name H) 3.9 0.8 0.8 volume=0.522 peak=745 ppm1=10.373 ppm2=8.057 assign ( resid 50 and name H) ( resid 122 and name HG2) 3.4 0.7 0.7 volume=1.225 peak=1030 ppm1=7.520 ppm2=1.054 assign ( resid 99 and name H) ( resid 98 and name HB3) 3.3 0.7 0.7 volume=1.338 peak=939 ppm1=7.389 ppm2=1.425 assign ( resid 119 and name H) ( resid 116 and name H) 4.7 0.9 0.9 volume=0.179 peak=875 ppm1=7.341 ppm2=8.664 assign ( resid 68 and name H) ( resid 57 and name HA) 3.5 0.7 0.7 volume=0.962 peak=1087 ppm1=9.238 ppm2=4.615 assign ( resid 47 and name H) ( resid 124 and name H) 4.0 0.8 0.8 volume=0.435 peak=691 ppm1=8.272 ppm2=7.412 assign ( resid 114 and name H) ( resid 113 and name HG2) 3.3 0.7 0.7 volume=1.508 peak=1096 ppm1=7.506 ppm2=2.155 assign ( resid 88 and name H) ( resid 87 and name H) 3.4 0.7 0.7 volume=1.200 peak=998 ppm1=7.013 ppm2=9.730 assign ( resid 57 and name H) ( resid 56 and name HB3) 2.8 0.6 0.6 volume=4.055 peak=24 ppm1=8.066 ppm2=1.142 assign ( resid 18 and name H) ( resid 18 and name HB3) 3.7 0.7 0.7 volume=0.692 peak=27 ppm1=9.626 ppm2=3.288 assign ( resid 60 and name HD21) ( resid 66 and name HB3) 3.8 0.8 0.8 volume=0.621 peak=21 ppm1=6.961 ppm2=2.565 assign ( resid 26 and name H) ( resid 26 and name HA) 3.2 0.6 0.6 volume=1.862 peak=658 ppm1=9.291 ppm2=4.448 assign ( resid 13 and name H) ( resid 14 and name H) 3.2 0.6 0.6 volume=1.753 peak=31 ppm1=9.096 ppm2=7.729 assign ( resid 98 and name H) ( resid 97 and name HE1) 4.4 0.9 0.9 volume=0.253 peak=1036 ppm1=6.516 ppm2=10.670 assign ( resid 38 and name H) ( resid 37 and name HA) 3.1 0.6 0.6 volume=2.024 peak=431 ppm1=7.727 ppm2=4.275 assign ( resid 106 and name H) ( resid 106 and name HA) 3.9 0.8 0.8 volume=0.521 peak=887 ppm1=8.707 ppm2=3.813 assign ( resid 129 and name H) ( resid 129 and name HA) 3.7 0.7 0.7 volume=0.665 peak=462 ppm1=8.824 ppm2=4.810 assign ( resid 50 and name H) ( resid 122 and name HE2) 3.3 0.7 0.7 volume=1.351 peak=536 ppm1=7.521 ppm2=3.055 assign ( resid 57 and name H) ( resid 56 and name HD1*) 3.0 0.6 0.6 volume=2.313 peak=87 ppm1=8.065 ppm2=-0.701 assign ( resid 66 and name H) ( resid 57 and name HG2) 3.3 0.7 0.7 volume=1.363 peak=602 ppm1=8.095 ppm2=1.133 assign ( resid 102 and name H) ( resid 97 and name HB2) 4.1 0.8 0.8 volume=0.403 peak=736 ppm1=8.486 ppm2=3.213 assign ( resid 23 and name H) ( resid 22 and name H) 3.4 0.7 0.7 volume=1.115 peak=278 ppm1=8.846 ppm2=8.650 assign ( resid 84 and name H) ( resid 83 and name HA) 2.9 0.6 0.6 volume=3.346 peak=174 ppm1=8.060 ppm2=4.639 assign ( resid 60 and name HD22) ( resid 60 and name HB3) 3.2 0.6 0.6 volume=1.785 peak=254 ppm1=7.593 ppm2=3.049 assign ( resid 18 and name HE1) ( resid 18 and name HZ2) 3.2 0.6 0.6 volume=1.582 peak=954 ppm1=10.276 ppm2=7.469 assign ( resid 96 and name H) ( resid 95 and name HA) 3.9 0.8 0.8 volume=0.522 peak=302 ppm1=7.926 ppm2=5.160 assign ( resid 111 and name H) ( resid 109 and name HB2) 4.3 0.9 0.9 volume=0.309 peak=290 ppm1=8.931 ppm2=2.016 assign ( resid 60 and name H) ( resid 60 and name HB3) 2.9 0.6 0.6 volume=3.178 peak=675 ppm1=9.422 ppm2=3.048 assign ( resid 68 and name H) ( resid 69 and name HD2) 3.8 0.8 0.8 volume=0.591 peak=570 ppm1=9.240 ppm2=3.729 assign ( resid 124 and name H) ( resid 47 and name H) 4.1 0.8 0.8 volume=0.393 peak=697 ppm1=7.406 ppm2=8.273 assign ( resid 17 and name H) ( resid 16 and name HA) 3.1 0.6 0.6 volume=2.030 peak=30 ppm1=8.248 ppm2=4.952 assign ( resid 123 and name H) ( resid 122 and name HG2) 4.1 0.8 0.8 volume=0.389 peak=1032 ppm1=9.544 ppm2=1.057 assign ( resid 89 and name HE22) ( resid 89 and name HB3) 3.8 0.8 0.8 volume=0.635 peak=104 ppm1=7.249 ppm2=1.616 assign ( resid 60 and name HD22) ( resid 60 and name HA) 4.0 0.8 0.8 volume=0.420 peak=59 ppm1=7.594 ppm2=4.922 assign ( resid 68 and name H) ( resid 67 and name HG2) 3.4 0.7 0.7 volume=1.115 peak=752 ppm1=9.239 ppm2=1.919 assign ( resid 13 and name H) ( resid 13 and name HB2) 3.0 0.6 0.6 volume=2.707 peak=557 ppm1=9.097 ppm2=2.070 assign ( resid 108 and name H) ( resid 84 and name H) 3.9 0.8 0.8 volume=0.556 peak=687 ppm1=8.190 ppm2=8.059 assign ( resid 117 and name H) ( resid 118 and name H) 3.5 0.7 0.7 volume=1.015 peak=819 ppm1=8.856 ppm2=7.179 assign ( resid 3 and name H) ( resid 3 and name HB2) 4.0 0.8 0.8 volume=0.470 peak=387 ppm1=8.405 ppm2=1.716 assign ( resid 117 and name H) ( resid 117 and name HA) 3.3 0.7 0.7 volume=1.419 peak=424 ppm1=8.858 ppm2=3.783 assign ( resid 29 and name H) ( resid 19 and name H) 4.2 0.8 0.8 volume=0.351 peak=987 ppm1=8.019 ppm2=9.150 assign ( resid 12 and name H) ( resid 12 and name HD2*) 3.5 0.7 0.7 volume=1.032 peak=863 ppm1=9.563 ppm2=0.410 assign ( resid 97 and name H) ( resid 97 and name HA) 3.9 0.8 0.8 volume=0.507 peak=193 ppm1=9.593 ppm2=3.735 assign ( resid 86 and name H) ( resid 85 and name HB2) 3.6 0.7 0.7 volume=0.905 peak=623 ppm1=8.078 ppm2=2.682 assign ( resid 49 and name HD22) ( resid 49 and name HD21) 2.8 0.6 0.6 volume=3.953 peak=1034 ppm1=7.698 ppm2=7.233 assign ( resid 14 and name H) ( resid 14 and name HB2) 3.1 0.6 0.6 volume=2.177 peak=778 ppm1=7.731 ppm2=2.861 assign ( resid 60 and name H) ( resid 64 and name H) 3.3 0.7 0.7 volume=1.538 peak=579 ppm1=9.423 ppm2=8.115 assign ( resid 24 and name H) ( resid 21 and name H) 3.0 0.6 0.6 volume=2.400 peak=588 ppm1=7.599 ppm2=8.461 assign ( resid 73 and name H) ( resid 72 and name H) 4.4 0.9 0.9 volume=0.240 peak=12 ppm1=9.010 ppm2=10.231 assign ( resid 91 and name H) ( resid 90 and name HD2) 3.3 0.7 0.7 volume=1.325 peak=822 ppm1=7.015 ppm2=4.098 assign ( resid 5 and name H) ( resid 5 and name HB3) 3.0 0.6 0.6 volume=2.753 peak=906 ppm1=8.431 ppm2=2.682 assign ( resid 99 and name H) ( resid 99 and name HG2*) 3.2 0.6 0.6 volume=1.623 peak=832 ppm1=7.389 ppm2=1.079 assign ( resid 27 and name H) ( resid 26 and name H) 2.8 0.6 0.6 volume=3.487 peak=400 ppm1=7.631 ppm2=9.285 assign ( resid 95 and name H) ( resid 95 and name HA) 3.6 0.7 0.7 volume=0.870 peak=501 ppm1=8.533 ppm2=5.160 assign ( resid 19 and name H) ( resid 28 and name HB2) 3.5 0.7 0.7 volume=0.944 peak=543 ppm1=9.154 ppm2=1.920 assign ( resid 54 and name H) ( resid 52 and name HB3) 3.9 0.8 0.8 volume=0.513 peak=667 ppm1=7.100 ppm2=1.905 assign ( resid 76 and name H) ( resid 75 and name HA) 4.2 0.8 0.8 volume=0.321 peak=473 ppm1=8.181 ppm2=3.409 assign ( resid 68 and name H) ( resid 58 and name H) 4.0 0.8 0.8 volume=0.443 peak=866 ppm1=9.242 ppm2=6.600 assign ( resid 121 and name H) ( resid 121 and name HB3) 3.3 0.7 0.7 volume=1.381 peak=973 ppm1=8.103 ppm2=2.062 assign ( resid 64 and name H) ( resid 59 and name HG2*) 3.4 0.7 0.7 volume=1.163 peak=1025 ppm1=8.116 ppm2=1.137 assign ( resid 115 and name H) ( resid 116 and name H) 3.1 0.6 0.6 volume=2.229 peak=325 ppm1=6.759 ppm2=8.663 assign ( resid 118 and name H) ( resid 117 and name HB2) 3.4 0.7 0.7 volume=1.227 peak=975 ppm1=7.182 ppm2=2.431 assign ( resid 30 and name H) ( resid 29 and name HA) 2.8 0.6 0.6 volume=3.521 peak=555 ppm1=8.402 ppm2=4.344 assign ( resid 124 and name H) ( resid 47 and name HB) 3.5 0.7 0.7 volume=1.065 peak=955 ppm1=7.410 ppm2=1.958 assign ( resid 23 and name H) ( resid 23 and name HA2) 2.8 0.6 0.6 volume=3.663 peak=258 ppm1=8.847 ppm2=4.194 assign ( resid 18 and name H) ( resid 17 and name HG2) 3.7 0.7 0.7 volume=0.716 peak=108 ppm1=9.628 ppm2=2.251 assign ( resid 5 and name H) ( resid 6 and name HA) 4.6 0.9 0.9 volume=0.199 peak=838 ppm1=8.430 ppm2=5.235 assign ( resid 71 and name H) ( resid 70 and name H) 4.3 0.9 0.9 volume=0.307 peak=109 ppm1=10.378 ppm2=8.621 assign ( resid 89 and name HE21) ( resid 89 and name HE22) 3.3 0.7 0.7 volume=1.496 peak=729 ppm1=7.604 ppm2=7.245 assign ( resid 96 and name H) ( resid 96 and name HA) 3.1 0.6 0.6 volume=1.951 peak=339 ppm1=7.925 ppm2=3.871 assign ( resid 124 and name H) ( resid 120 and name HG1*) 4.3 0.9 0.9 volume=0.278 peak=1028 ppm1=7.408 ppm2=0.154 assign ( resid 4 and name H) ( resid 4 and name HG2) 3.2 0.6 0.6 volume=1.710 peak=782 ppm1=8.354 ppm2=2.227 assign ( resid 92 and name H) ( resid 32 and name HG1*) 3.7 0.7 0.7 volume=0.739 peak=459 ppm1=8.625 ppm2=1.000 assign ( resid 104 and name H) ( resid 105 and name HB2) 4.4 0.9 0.9 volume=0.257 peak=1065 ppm1=8.805 ppm2=2.919 assign ( resid 62 and name H) ( resid 60 and name H) 3.9 0.8 0.8 volume=0.515 peak=484 ppm1=7.734 ppm2=9.423 assign ( resid 127 and name H) ( resid 127 and name HA) 3.6 0.7 0.7 volume=0.778 peak=352 ppm1=9.569 ppm2=5.058 assign ( resid 62 and name H) ( resid 59 and name HA) 3.2 0.6 0.6 volume=1.842 peak=897 ppm1=7.733 ppm2=4.779 assign ( resid 99 and name H) ( resid 98 and name HA) 3.9 0.8 0.8 volume=0.516 peak=989 ppm1=7.395 ppm2=3.075 assign ( resid 51 and name H) ( resid 73 and name HH2) 3.9 0.8 0.8 volume=0.515 peak=645 ppm1=9.528 ppm2=7.141 assign ( resid 89 and name HE21) ( resid 89 and name HB3) 3.7 0.7 0.7 volume=0.724 peak=216 ppm1=7.606 ppm2=1.618 assign ( resid 127 and name H) ( resid 127 and name HB3) 3.0 0.6 0.6 volume=2.297 peak=419 ppm1=9.569 ppm2=1.863 assign ( resid 104 and name H) ( resid 102 and name H) 4.3 0.9 0.9 volume=0.304 peak=699 ppm1=8.805 ppm2=8.483 assign ( resid 70 and name H) ( resid 70 and name HG2*) 3.0 0.6 0.6 volume=2.512 peak=432 ppm1=8.620 ppm2=0.508 assign ( resid 116 and name H) ( resid 116 and name HD1*) 3.5 0.7 0.7 volume=0.954 peak=403 ppm1=8.666 ppm2=0.376 assign ( resid 31 and name H) ( resid 93 and name H) 3.7 0.7 0.7 volume=0.698 peak=427 ppm1=7.642 ppm2=8.000 assign ( resid 53 and name H) ( resid 53 and name HB2) 3.4 0.7 0.7 volume=1.160 peak=694 ppm1=8.321 ppm2=2.761 assign ( resid 22 and name H) ( resid 6 and name HA) 3.9 0.8 0.8 volume=0.493 peak=754 ppm1=8.646 ppm2=5.224 assign ( resid 18 and name HE1) ( resid 28 and name HB2) 3.6 0.7 0.7 volume=0.889 peak=54 ppm1=10.277 ppm2=1.926 assign ( resid 108 and name H) ( resid 107 and name H) 4.2 0.8 0.8 volume=0.353 peak=511 ppm1=8.195 ppm2=8.982 assign ( resid 86 and name H) ( resid 87 and name H) 4.1 0.8 0.8 volume=0.392 peak=607 ppm1=8.076 ppm2=9.727 assign ( resid 26 and name H) ( resid 26 and name HB*) 3.2 0.6 0.6 volume=1.802 peak=483 ppm1=9.290 ppm2=1.248 assign ( resid 71 and name HD21) ( resid 71 and name HB3) 3.4 0.7 0.7 volume=1.185 peak=1080 ppm1=7.446 ppm2=1.762 assign ( resid 89 and name H) ( resid 87 and name H) 4.2 0.8 0.8 volume=0.332 peak=593 ppm1=7.141 ppm2=9.721 assign ( resid 30 and name H) ( resid 30 and name HA) 3.8 0.8 0.8 volume=0.642 peak=446 ppm1=8.402 ppm2=5.323 assign ( resid 129 and name H) ( resid 129 and name HB2) 3.9 0.8 0.8 volume=0.526 peak=833 ppm1=8.826 ppm2=2.977 assign ( resid 104 and name H) ( resid 105 and name H) 3.4 0.7 0.7 volume=1.115 peak=528 ppm1=8.806 ppm2=9.108 assign ( resid 58 and name H) ( resid 57 and name HB3) 3.0 0.6 0.6 volume=2.439 peak=1066 ppm1=6.602 ppm2=1.660 assign ( resid 70 and name H) ( resid 69 and name HB3) 3.2 0.6 0.6 volume=1.670 peak=917 ppm1=8.620 ppm2=1.888 assign ( resid 26 and name H) ( resid 25 and name HB) 3.9 0.8 0.8 volume=0.505 peak=60 ppm1=9.291 ppm2=1.916 assign ( resid 6 and name H) ( resid 5 and name H) 3.3 0.7 0.7 volume=1.450 peak=942 ppm1=7.728 ppm2=8.425 assign ( resid 49 and name HD21) ( resid 49 and name HA) 4.6 0.9 0.9 volume=0.194 peak=286 ppm1=7.240 ppm2=4.637 assign ( resid 13 and name H) ( resid 13 and name HA) 3.1 0.6 0.6 volume=2.075 peak=195 ppm1=9.097 ppm2=3.993 assign ( resid 46 and name H) ( resid 46 and name HB3) 3.7 0.7 0.7 volume=0.776 peak=41 ppm1=7.910 ppm2=2.432 assign ( resid 57 and name H) ( resid 58 and name H) 3.7 0.7 0.7 volume=0.761 peak=482 ppm1=8.065 ppm2=6.602 assign ( resid 56 and name H) ( resid 68 and name HB3) 3.8 0.8 0.8 volume=0.619 peak=289 ppm1=8.162 ppm2=3.397 assign ( resid 89 and name H) ( resid 89 and name HB2) 3.3 0.7 0.7 volume=1.454 peak=815 ppm1=7.143 ppm2=1.161 assign ( resid 121 and name H) ( resid 119 and name H) 3.8 0.8 0.8 volume=0.605 peak=870 ppm1=8.104 ppm2=7.336 assign ( resid 54 and name H) ( resid 71 and name H) 4.3 0.9 0.9 volume=0.285 peak=347 ppm1=7.104 ppm2=10.379 assign ( resid 111 and name H) ( resid 112 and name HG1*) 4.1 0.8 0.8 volume=0.380 peak=197 ppm1=8.930 ppm2=0.863 assign ( resid 82 and name H) ( resid 105 and name HB3) 4.2 0.8 0.8 volume=0.350 peak=111 ppm1=7.709 ppm2=3.494 assign ( resid 128 and name H) ( resid 128 and name HB) 3.5 0.7 0.7 volume=0.968 peak=585 ppm1=9.120 ppm2=2.452 assign ( resid 10 and name H) ( resid 9 and name HA) 3.2 0.6 0.6 volume=1.740 peak=708 ppm1=9.790 ppm2=5.770 assign ( resid 101 and name H) ( resid 100 and name HA) 3.4 0.7 0.7 volume=1.215 peak=175 ppm1=7.180 ppm2=4.786 assign ( resid 13 and name H) ( resid 12 and name HD1*) 3.6 0.7 0.7 volume=0.850 peak=79 ppm1=9.097 ppm2=0.563 assign ( resid 88 and name HE1) ( resid 90 and name HA) 4.6 0.9 0.9 volume=0.200 peak=390 ppm1=10.887 ppm2=4.504 assign ( resid 6 and name H) ( resid 6 and name HA) 3.8 0.8 0.8 volume=0.592 peak=996 ppm1=7.730 ppm2=5.223 assign ( resid 120 and name H) ( resid 121 and name H) 3.7 0.7 0.7 volume=0.682 peak=888 ppm1=7.302 ppm2=8.102 assign ( resid 71 and name H) ( resid 70 and name HG2*) 3.6 0.7 0.7 volume=0.824 peak=798 ppm1=10.382 ppm2=0.510 assign ( resid 101 and name H) ( resid 100 and name H) 3.2 0.6 0.6 volume=1.739 peak=1043 ppm1=7.179 ppm2=8.890 assign ( resid 119 and name H) ( resid 118 and name HA2) 3.2 0.6 0.6 volume=1.597 peak=2 ppm1=7.344 ppm2=3.797 assign ( resid 70 and name H) ( resid 70 and name HB) 3.7 0.7 0.7 volume=0.684 peak=92 ppm1=8.620 ppm2=2.684 assign ( resid 123 and name H) ( resid 123 and name HA2) 3.6 0.7 0.7 volume=0.869 peak=361 ppm1=9.545 ppm2=4.335 assign ( resid 101 and name H) ( resid 102 and name H) 3.8 0.8 0.8 volume=0.651 peak=524 ppm1=7.176 ppm2=8.480 assign ( resid 77 and name H) ( resid 76 and name HD1*) 4.4 0.9 0.9 volume=0.244 peak=527 ppm1=7.547 ppm2=0.147 assign ( resid 24 and name H) ( resid 23 and name HA3) 3.2 0.6 0.6 volume=1.604 peak=494 ppm1=7.599 ppm2=3.766 assign ( resid 52 and name H) ( resid 52 and name HB2) 3.1 0.6 0.6 volume=2.218 peak=426 ppm1=8.648 ppm2=1.787 assign ( resid 60 and name H) ( resid 59 and name HB) 3.3 0.7 0.7 volume=1.514 peak=1058 ppm1=9.423 ppm2=3.867 assign ( resid 10 and name H) ( resid 10 and name HB) 3.6 0.7 0.7 volume=0.837 peak=666 ppm1=9.791 ppm2=2.149 assign ( resid 60 and name HD21) ( resid 60 and name H) 4.1 0.8 0.8 volume=0.415 peak=238 ppm1=6.959 ppm2=9.421 assign ( resid 115 and name H) ( resid 115 and name HB2) 2.7 0.5 0.5 volume=5.111 peak=399 ppm1=6.762 ppm2=2.017 assign ( resid 73 and name H) ( resid 74 and name H) 4.4 0.9 0.9 volume=0.267 peak=844 ppm1=9.009 ppm2=7.922 assign ( resid 66 and name H) ( resid 58 and name H) 3.1 0.6 0.6 volume=2.051 peak=293 ppm1=8.096 ppm2=6.601 assign ( resid 67 and name H) ( resid 66 and name HD*) 3.6 0.7 0.7 volume=0.846 peak=234 ppm1=8.199 ppm2=6.288 assign ( resid 14 and name HD22) ( resid 14 and name HB2) 3.5 0.7 0.7 volume=0.967 peak=751 ppm1=9.006 ppm2=2.859 assign ( resid 122 and name H) ( resid 121 and name HA) 3.0 0.6 0.6 volume=2.767 peak=1008 ppm1=9.204 ppm2=4.405 assign ( resid 53 and name H) ( resid 54 and name HB*) 3.9 0.8 0.8 volume=0.531 peak=200 ppm1=8.324 ppm2=0.903 assign ( resid 100 and name H) ( resid 99 and name HA) 3.8 0.8 0.8 volume=0.604 peak=51 ppm1=8.891 ppm2=4.479 assign ( resid 84 and name H) ( resid 85 and name H) 4.2 0.8 0.8 volume=0.356 peak=507 ppm1=8.055 ppm2=10.383 assign ( resid 97 and name H) ( resid 96 and name HG) 4.5 0.9 0.9 volume=0.212 peak=807 ppm1=9.596 ppm2=1.720 assign ( resid 13 and name H) ( resid 15 and name H) 3.6 0.7 0.7 volume=0.801 peak=529 ppm1=9.097 ppm2=8.044 assign ( resid 33 and name H) ( resid 97 and name H) 3.8 0.8 0.8 volume=0.602 peak=567 ppm1=8.607 ppm2=9.579 assign ( resid 113 and name H) ( resid 112 and name H) 3.2 0.6 0.6 volume=1.824 peak=711 ppm1=8.603 ppm2=6.711 assign ( resid 27 and name H) ( resid 25 and name HA) 3.2 0.6 0.6 volume=1.720 peak=941 ppm1=7.630 ppm2=3.255 assign ( resid 97 and name H) ( resid 96 and name HB2) 4.0 0.8 0.8 volume=0.431 peak=492 ppm1=9.592 ppm2=2.100 assign ( resid 92 and name H) ( resid 93 and name H) 4.0 0.8 0.8 volume=0.476 peak=979 ppm1=8.625 ppm2=7.984 assign ( resid 92 and name H) ( resid 92 and name HE*) 4.4 0.9 0.9 volume=0.252 peak=565 ppm1=8.623 ppm2=6.336 assign ( resid 34 and name H) ( resid 33 and name HA) 3.5 0.7 0.7 volume=0.961 peak=73 ppm1=8.165 ppm2=4.848 assign ( resid 87 and name H) ( resid 88 and name HE3) 3.6 0.7 0.7 volume=0.800 peak=158 ppm1=9.733 ppm2=8.019 assign ( resid 119 and name H) ( resid 120 and name HB) 3.6 0.7 0.7 volume=0.851 peak=102 ppm1=7.344 ppm2=1.450 assign ( resid 62 and name H) ( resid 63 and name H) 2.7 0.5 0.5 volume=4.445 peak=18 ppm1=7.734 ppm2=8.133 assign ( resid 53 and name H) ( resid 52 and name H) 3.8 0.8 0.8 volume=0.598 peak=105 ppm1=8.323 ppm2=8.649 assign ( resid 122 and name H) ( resid 121 and name HG2) 3.9 0.8 0.8 volume=0.559 peak=241 ppm1=9.203 ppm2=2.392 assign ( resid 60 and name HD22) ( resid 66 and name HB2) 4.3 0.9 0.9 volume=0.298 peak=25 ppm1=7.593 ppm2=2.890 assign ( resid 89 and name H) ( resid 88 and name HE3) 4.0 0.8 0.8 volume=0.472 peak=796 ppm1=7.146 ppm2=8.008 assign ( resid 83 and name H) ( resid 73 and name HA) 4.6 0.9 0.9 volume=0.185 peak=710 ppm1=8.296 ppm2=5.736 assign ( resid 114 and name H) ( resid 114 and name HG2) 3.5 0.7 0.7 volume=0.997 peak=167 ppm1=7.505 ppm2=1.133 assign ( resid 120 and name H) ( resid 116 and name HD1*) 3.9 0.8 0.8 volume=0.491 peak=642 ppm1=7.301 ppm2=0.375 assign ( resid 71 and name HD21) ( resid 71 and name HA) 3.9 0.8 0.8 volume=0.523 peak=786 ppm1=7.447 ppm2=4.308 assign ( resid 6 and name H) ( resid 6 and name HB) 3.3 0.7 0.7 volume=1.354 peak=467 ppm1=7.726 ppm2=4.192 assign ( resid 48 and name HE1) ( resid 48 and name HZ2) 4.3 0.9 0.9 volume=0.301 peak=1013 ppm1=9.263 ppm2=7.354 assign ( resid 64 and name H) ( resid 63 and name HA3) 3.1 0.6 0.6 volume=2.243 peak=821 ppm1=8.117 ppm2=4.347 assign ( resid 51 and name H) ( resid 50 and name HB3) 3.7 0.7 0.7 volume=0.671 peak=142 ppm1=9.528 ppm2=1.301 assign ( resid 84 and name H) ( resid 106 and name H) 3.9 0.8 0.8 volume=0.530 peak=83 ppm1=8.054 ppm2=8.700 assign ( resid 18 and name HE1) ( resid 28 and name HA) 4.1 0.8 0.8 volume=0.409 peak=1000 ppm1=10.277 ppm2=4.973 assign ( resid 56 and name H) ( resid 55 and name HB) 3.9 0.8 0.8 volume=0.502 peak=162 ppm1=8.165 ppm2=3.722 assign ( resid 55 and name H) ( resid 54 and name HA) 2.6 0.5 0.5 volume=6.541 peak=568 ppm1=8.405 ppm2=4.492 assign ( resid 47 and name H) ( resid 47 and name HA) 3.9 0.8 0.8 volume=0.496 peak=499 ppm1=8.268 ppm2=4.019 assign ( resid 115 and name H) ( resid 113 and name HA) 3.9 0.8 0.8 volume=0.495 peak=903 ppm1=6.758 ppm2=4.093 assign ( resid 49 and name HD21) ( resid 49 and name HB3) 3.7 0.7 0.7 volume=0.701 peak=794 ppm1=7.238 ppm2=1.648 assign ( resid 68 and name H) ( resid 56 and name HB3) 3.4 0.7 0.7 volume=1.152 peak=525 ppm1=9.239 ppm2=1.139 assign ( resid 45 and name H) ( resid 45 and name HA) 3.5 0.7 0.7 volume=0.958 peak=13 ppm1=9.262 ppm2=5.065 assign ( resid 12 and name H) ( resid 13 and name H) 3.6 0.7 0.7 volume=0.908 peak=861 ppm1=9.562 ppm2=9.091 assign ( resid 66 and name H) ( resid 65 and name HA) 2.6 0.5 0.5 volume=5.938 peak=233 ppm1=8.095 ppm2=4.966 assign ( resid 87 and name H) ( resid 85 and name HB3) 3.4 0.7 0.7 volume=1.097 peak=245 ppm1=9.734 ppm2=2.389 assign ( resid 22 and name H) ( resid 22 and name HA) 3.0 0.6 0.6 volume=2.421 peak=847 ppm1=8.647 ppm2=4.172 assign ( resid 63 and name H) ( resid 62 and name H) 2.9 0.6 0.6 volume=2.909 peak=846 ppm1=8.138 ppm2=7.734 assign ( resid 68 and name H) ( resid 69 and name HD3) 3.9 0.8 0.8 volume=0.545 peak=676 ppm1=9.239 ppm2=3.575 assign ( resid 43 and name H) ( resid 127 and name HA) 3.9 0.8 0.8 volume=0.519 peak=189 ppm1=9.202 ppm2=5.050 assign ( resid 91 and name H) ( resid 91 and name HA) 3.1 0.6 0.6 volume=1.949 peak=1086 ppm1=7.015 ppm2=4.522 assign ( resid 118 and name H) ( resid 116 and name HB2) 4.2 0.8 0.8 volume=0.322 peak=1103 ppm1=7.186 ppm2=1.234 assign ( resid 5 and name H) ( resid 4 and name HA) 2.8 0.6 0.6 volume=3.954 peak=617 ppm1=8.430 ppm2=4.300 assign ( resid 85 and name H) ( resid 113 and name HB3) 4.3 0.9 0.9 volume=0.308 peak=106 ppm1=10.374 ppm2=1.377 assign ( resid 54 and name H) ( resid 70 and name HG2*) 3.1 0.6 0.6 volume=1.957 peak=343 ppm1=7.102 ppm2=0.507 assign ( resid 27 and name H) ( resid 19 and name H) 3.5 0.7 0.7 volume=1.089 peak=812 ppm1=7.631 ppm2=9.152 assign ( resid 12 and name H) ( resid 12 and name HD1*) 3.3 0.7 0.7 volume=1.342 peak=389 ppm1=9.562 ppm2=0.569 assign ( resid 60 and name HD21) ( resid 63 and name H) 4.1 0.8 0.8 volume=0.410 peak=590 ppm1=6.956 ppm2=8.130 assign ( resid 48 and name HE1) ( resid 75 and name HB2) 4.0 0.8 0.8 volume=0.438 peak=226 ppm1=9.258 ppm2=1.577 assign ( resid 97 and name H) ( resid 96 and name H) 3.8 0.8 0.8 volume=0.579 peak=1073 ppm1=9.592 ppm2=7.924 assign ( resid 22 and name H) ( resid 21 and name HG3) 3.4 0.7 0.7 volume=1.128 peak=1015 ppm1=8.645 ppm2=1.193 assign ( resid 38 and name H) ( resid 39 and name HD3) 2.9 0.6 0.6 volume=2.886 peak=130 ppm1=7.727 ppm2=3.402 assign ( resid 18 and name H) ( resid 17 and name HB2) 4.0 0.8 0.8 volume=0.430 peak=423 ppm1=9.627 ppm2=1.639 assign ( resid 72 and name H) ( resid 70 and name HB) 3.2 0.6 0.6 volume=1.595 peak=91 ppm1=10.229 ppm2=2.684 assign ( resid 14 and name H) ( resid 14 and name HA) 3.1 0.6 0.6 volume=2.007 peak=877 ppm1=7.730 ppm2=4.793 assign ( resid 17 and name H) ( resid 17 and name HA) 3.9 0.8 0.8 volume=0.527 peak=657 ppm1=8.251 ppm2=5.626 assign ( resid 70 and name H) ( resid 68 and name HA) 2.9 0.6 0.6 volume=3.235 peak=663 ppm1=8.620 ppm2=4.913 assign ( resid 85 and name H) ( resid 85 and name HB2) 3.4 0.7 0.7 volume=1.112 peak=997 ppm1=10.376 ppm2=2.684 assign ( resid 73 and name H) ( resid 72 and name HA) 3.3 0.7 0.7 volume=1.545 peak=270 ppm1=9.007 ppm2=4.484 assign ( resid 27 and name H) ( resid 18 and name HD1) 4.1 0.8 0.8 volume=0.370 peak=62 ppm1=7.630 ppm2=6.958 assign ( resid 98 and name H) ( resid 97 and name H) 3.9 0.8 0.8 volume=0.519 peak=313 ppm1=6.514 ppm2=9.599 assign ( resid 104 and name H) ( resid 104 and name HA2) 3.6 0.7 0.7 volume=0.857 peak=201 ppm1=8.806 ppm2=3.221 assign ( resid 99 and name H) ( resid 99 and name HA) 3.5 0.7 0.7 volume=1.077 peak=965 ppm1=7.390 ppm2=4.478 assign ( resid 73 and name H) ( resid 73 and name HA) 3.7 0.7 0.7 volume=0.688 peak=993 ppm1=9.006 ppm2=5.750 assign ( resid 59 and name H) ( resid 60 and name H) 3.7 0.7 0.7 volume=0.672 peak=517 ppm1=8.493 ppm2=9.422 assign ( resid 42 and name H) ( resid 41 and name HD2) 4.1 0.8 0.8 volume=0.407 peak=882 ppm1=7.575 ppm2=3.622 assign ( resid 10 and name H) ( resid 10 and name HA) 4.0 0.8 0.8 volume=0.438 peak=899 ppm1=9.791 ppm2=4.519 assign ( resid 49 and name H) ( resid 75 and name HD2) 3.8 0.8 0.8 volume=0.587 peak=757 ppm1=7.239 ppm2=3.139 assign ( resid 71 and name H) ( resid 71 and name HB3) 3.4 0.7 0.7 volume=1.192 peak=651 ppm1=10.381 ppm2=1.758 assign ( resid 116 and name H) ( resid 115 and name H) 3.1 0.6 0.6 volume=2.141 peak=406 ppm1=8.666 ppm2=6.752 assign ( resid 19 and name H) ( resid 18 and name HB3) 3.7 0.7 0.7 volume=0.689 peak=692 ppm1=9.156 ppm2=3.280 assign ( resid 12 and name H) ( resid 12 and name HG) 3.4 0.7 0.7 volume=1.188 peak=780 ppm1=9.561 ppm2=1.446 assign ( resid 82 and name H) ( resid 106 and name H) 3.7 0.7 0.7 volume=0.710 peak=90 ppm1=7.708 ppm2=8.706 assign ( resid 17 and name H) ( resid 18 and name H) 4.1 0.8 0.8 volume=0.361 peak=169 ppm1=8.251 ppm2=9.618 assign ( resid 121 and name H) ( resid 120 and name HG1*) 3.5 0.7 0.7 volume=1.068 peak=878 ppm1=8.102 ppm2=0.153 assign ( resid 10 and name H) ( resid 9 and name HG2) 3.5 0.7 0.7 volume=1.055 peak=791 ppm1=9.789 ppm2=2.559 assign ( resid 18 and name H) ( resid 10 and name HA) 3.9 0.8 0.8 volume=0.540 peak=818 ppm1=9.627 ppm2=4.523 assign ( resid 18 and name HE1) ( resid 11 and name HA) 3.8 0.8 0.8 volume=0.617 peak=253 ppm1=10.277 ppm2=4.253 assign ( resid 95 and name H) ( resid 95 and name HB3) 3.4 0.7 0.7 volume=1.155 peak=854 ppm1=8.532 ppm2=2.712 assign ( resid 28 and name H) ( resid 28 and name HB3) 2.8 0.6 0.6 volume=3.888 peak=116 ppm1=8.447 ppm2=1.526 assign ( resid 106 and name H) ( resid 105 and name HB2) 3.6 0.7 0.7 volume=0.824 peak=1101 ppm1=8.710 ppm2=2.931 assign ( resid 72 and name H) ( resid 73 and name H) 4.2 0.8 0.8 volume=0.335 peak=140 ppm1=10.227 ppm2=9.005 assign ( resid 26 and name H) ( resid 21 and name H) 3.8 0.8 0.8 volume=0.641 peak=348 ppm1=9.291 ppm2=8.462 assign ( resid 58 and name H) ( resid 58 and name HA3) 3.0 0.6 0.6 volume=2.355 peak=434 ppm1=6.602 ppm2=3.356 assign ( resid 128 and name H) ( resid 127 and name HB2) 3.5 0.7 0.7 volume=1.064 peak=378 ppm1=9.121 ppm2=1.880 assign ( resid 15 and name H) ( resid 14 and name HA) 3.4 0.7 0.7 volume=1.253 peak=738 ppm1=8.049 ppm2=4.795 assign ( resid 17 and name H) ( resid 17 and name HB2) 3.5 0.7 0.7 volume=1.046 peak=921 ppm1=8.249 ppm2=1.634 assign ( resid 44 and name H) ( resid 44 and name HA) 3.6 0.7 0.7 volume=0.821 peak=460 ppm1=7.478 ppm2=4.453 assign ( resid 115 and name H) ( resid 115 and name HA) 2.9 0.6 0.6 volume=2.792 peak=681 ppm1=6.759 ppm2=3.939 assign ( resid 31 and name H) ( resid 32 and name H) 3.8 0.8 0.8 volume=0.589 peak=239 ppm1=7.643 ppm2=8.244 assign ( resid 20 and name H) ( resid 20 and name HA) 3.8 0.8 0.8 volume=0.652 peak=474 ppm1=8.988 ppm2=4.450 assign ( resid 115 and name H) ( resid 114 and name HG2) 3.5 0.7 0.7 volume=0.990 peak=842 ppm1=6.759 ppm2=1.153 assign ( resid 64 and name H) ( resid 59 and name HB) 3.7 0.7 0.7 volume=0.736 peak=308 ppm1=8.116 ppm2=3.878 assign ( resid 23 and name H) ( resid 24 and name H) 3.3 0.7 0.7 volume=1.522 peak=438 ppm1=8.846 ppm2=7.603 assign ( resid 56 and name H) ( resid 55 and name H) 4.1 0.8 0.8 volume=0.361 peak=800 ppm1=8.163 ppm2=8.402 assign ( resid 54 and name H) ( resid 53 and name HA) 2.6 0.5 0.5 volume=5.476 peak=586 ppm1=7.101 ppm2=4.386 assign ( resid 102 and name H) ( resid 103 and name H) 4.1 0.8 0.8 volume=0.392 peak=1055 ppm1=8.488 ppm2=8.937 assign ( resid 19 and name H) ( resid 27 and name H) 3.7 0.7 0.7 volume=0.710 peak=212 ppm1=9.155 ppm2=7.626 assign ( resid 88 and name HE1) ( resid 88 and name HD1) 3.3 0.7 0.7 volume=1.478 peak=95 ppm1=10.888 ppm2=7.052 assign ( resid 30 and name H) ( resid 29 and name HB) 3.5 0.7 0.7 volume=1.073 peak=809 ppm1=8.401 ppm2=3.964 assign ( resid 104 and name H) ( resid 34 and name H) 4.3 0.9 0.9 volume=0.294 peak=163 ppm1=8.802 ppm2=8.167 assign ( resid 105 and name H) ( resid 105 and name HB2) 3.9 0.8 0.8 volume=0.531 peak=98 ppm1=9.111 ppm2=2.927 assign ( resid 11 and name H) ( resid 16 and name H) 3.6 0.7 0.7 volume=0.916 peak=566 ppm1=8.603 ppm2=8.041 assign ( resid 10 and name H) ( resid 18 and name HB2) 3.6 0.7 0.7 volume=0.795 peak=310 ppm1=9.785 ppm2=2.664 assign ( resid 126 and name H) ( resid 46 and name HA) 3.7 0.7 0.7 volume=0.681 peak=123 ppm1=8.525 ppm2=5.162 assign ( resid 48 and name HE1) ( resid 76 and name HD1*) 4.7 0.9 0.9 volume=0.171 peak=230 ppm1=9.248 ppm2=0.144 assign ( resid 51 and name H) ( resid 122 and name HG2) 3.9 0.8 0.8 volume=0.552 peak=765 ppm1=9.527 ppm2=1.050 assign ( resid 120 and name H) ( resid 120 and name HB) 2.9 0.6 0.6 volume=3.325 peak=487 ppm1=7.301 ppm2=1.447 assign ( resid 14 and name HD21) ( resid 14 and name HB2) 3.5 0.7 0.7 volume=1.006 peak=706 ppm1=7.076 ppm2=2.861 assign ( resid 18 and name HE1) ( resid 24 and name HA) 4.0 0.8 0.8 volume=0.433 peak=824 ppm1=10.277 ppm2=4.777 assign ( resid 98 and name H) ( resid 96 and name H) 4.2 0.8 0.8 volume=0.318 peak=441 ppm1=6.513 ppm2=7.923 assign ( resid 64 and name H) ( resid 62 and name HB3) 4.1 0.8 0.8 volume=0.365 peak=273 ppm1=8.118 ppm2=2.633 assign ( resid 51 and name H) ( resid 50 and name HB2) 3.6 0.7 0.7 volume=0.797 peak=896 ppm1=9.524 ppm2=1.610 assign ( resid 66 and name H) ( resid 60 and name HD22) 4.3 0.9 0.9 volume=0.277 peak=950 ppm1=8.093 ppm2=7.604 assign ( resid 91 and name H) ( resid 91 and name HB2) 3.1 0.6 0.6 volume=1.894 peak=742 ppm1=7.015 ppm2=1.636 assign ( resid 120 and name H) ( resid 120 and name HG1*) 2.9 0.6 0.6 volume=3.233 peak=65 ppm1=7.301 ppm2=0.154 assign ( resid 72 and name H) ( resid 72 and name HD*) 4.0 0.8 0.8 volume=0.426 peak=576 ppm1=10.231 ppm2=5.745 assign ( resid 43 and name H) ( resid 44 and name H) 3.8 0.8 0.8 volume=0.567 peak=820 ppm1=9.200 ppm2=7.484 assign ( resid 77 and name H) ( resid 77 and name HB2) 4.5 0.9 0.9 volume=0.229 peak=222 ppm1=7.528 ppm2=3.189 assign ( resid 105 and name H) ( resid 104 and name HA2) 4.2 0.8 0.8 volume=0.357 peak=376 ppm1=9.112 ppm2=3.233 assign ( resid 67 and name H) ( resid 66 and name HE*) 4.4 0.9 0.9 volume=0.267 peak=572 ppm1=8.199 ppm2=5.995 assign ( resid 88 and name H) ( resid 88 and name HE3) 3.3 0.7 0.7 volume=1.359 peak=373 ppm1=7.014 ppm2=8.016 assign ( resid 92 and name H) ( resid 96 and name HD1*) 3.4 0.7 0.7 volume=1.175 peak=643 ppm1=8.627 ppm2=0.616 assign ( resid 119 and name H) ( resid 119 and name HG3) 3.2 0.6 0.6 volume=1.718 peak=1076 ppm1=7.343 ppm2=2.709 assign ( resid 3 and name H) ( resid 3 and name HB3) 4.0 0.8 0.8 volume=0.484 peak=1083 ppm1=8.405 ppm2=1.904 assign ( resid 54 and name H) ( resid 54 and name HB*) 2.6 0.5 0.5 volume=5.463 peak=240 ppm1=7.101 ppm2=0.904 assign ( resid 94 and name H) ( resid 94 and name HA2) 2.8 0.6 0.6 volume=4.197 peak=187 ppm1=8.641 ppm2=3.879 assign ( resid 72 and name H) ( resid 70 and name HG2*) 3.6 0.7 0.7 volume=0.808 peak=702 ppm1=10.231 ppm2=0.508 assign ( resid 22 and name H) ( resid 22 and name HB2) 3.5 0.7 0.7 volume=1.029 peak=935 ppm1=8.646 ppm2=2.676 assign ( resid 121 and name H) ( resid 120 and name HG2*) 3.2 0.6 0.6 volume=1.757 peak=537 ppm1=8.104 ppm2=0.580 assign ( resid 22 and name H) ( resid 21 and name HD3) 4.0 0.8 0.8 volume=0.452 peak=437 ppm1=8.647 ppm2=1.756 assign ( resid 113 and name H) ( resid 113 and name HA) 3.3 0.7 0.7 volume=1.312 peak=156 ppm1=8.602 ppm2=4.078 assign ( resid 70 and name H) ( resid 56 and name H) 3.6 0.7 0.7 volume=0.814 peak=933 ppm1=8.620 ppm2=8.161 assign ( resid 92 and name H) ( resid 92 and name HD*) 3.7 0.7 0.7 volume=0.671 peak=629 ppm1=8.625 ppm2=6.762 assign ( resid 122 and name H) ( resid 122 and name HG3) 3.4 0.7 0.7 volume=1.234 peak=696 ppm1=9.204 ppm2=1.366 assign ( resid 73 and name HE1) ( resid 70 and name HG1*) 3.8 0.8 0.8 volume=0.625 peak=808 ppm1=10.102 ppm2=0.769 assign ( resid 127 and name H) ( resid 9 and name HA) 3.8 0.8 0.8 volume=0.584 peak=443 ppm1=9.570 ppm2=5.774 assign ( resid 91 and name H) ( resid 100 and name HA) 3.6 0.7 0.7 volume=0.872 peak=172 ppm1=7.015 ppm2=4.780 assign ( resid 94 and name H) ( resid 15 and name HB2) 3.5 0.7 0.7 volume=0.946 peak=66 ppm1=8.641 ppm2=2.239 assign ( resid 70 and name H) ( resid 55 and name HA) 3.1 0.6 0.6 volume=1.922 peak=962 ppm1=8.620 ppm2=4.347 assign ( resid 15 and name H) ( resid 13 and name H) 3.7 0.7 0.7 volume=0.737 peak=465 ppm1=8.043 ppm2=9.086 assign ( resid 58 and name H) ( resid 65 and name HB3) 4.4 0.9 0.9 volume=0.243 peak=612 ppm1=6.596 ppm2=2.243 assign ( resid 128 and name H) ( resid 127 and name H) 4.2 0.8 0.8 volume=0.316 peak=601 ppm1=9.124 ppm2=9.575 assign ( resid 60 and name H) ( resid 59 and name HG2*) 3.1 0.6 0.6 volume=2.042 peak=280 ppm1=9.422 ppm2=1.134 assign ( resid 70 and name H) ( resid 56 and name HD2*) 4.5 0.9 0.9 volume=0.210 peak=208 ppm1=8.623 ppm2=-0.101 assign ( resid 70 and name H) ( resid 69 and name HB2) 3.2 0.6 0.6 volume=1.774 peak=476 ppm1=8.620 ppm2=2.194 assign ( resid 30 and name H) ( resid 29 and name H) 3.7 0.7 0.7 volume=0.731 peak=44 ppm1=8.404 ppm2=8.008 assign ( resid 28 and name H) ( resid 28 and name HG3) 2.8 0.6 0.6 volume=3.860 peak=746 ppm1=8.447 ppm2=1.933 assign ( resid 24 and name H) ( resid 25 and name HA) 4.1 0.8 0.8 volume=0.368 peak=112 ppm1=7.598 ppm2=3.260 assign ( resid 98 and name H) ( resid 98 and name HG3) 3.3 0.7 0.7 volume=1.313 peak=291 ppm1=6.513 ppm2=-0.340 assign ( resid 127 and name H) ( resid 126 and name H) 4.5 0.9 0.9 volume=0.222 peak=7 ppm1=9.570 ppm2=8.523 assign ( resid 77 and name H) ( resid 76 and name HA) 4.2 0.8 0.8 volume=0.332 peak=963 ppm1=7.535 ppm2=5.598 assign ( resid 99 and name H) ( resid 100 and name HA) 3.6 0.7 0.7 volume=0.800 peak=848 ppm1=7.392 ppm2=4.782 assign ( resid 60 and name HD21) ( resid 66 and name HD*) 4.9 1.0 1.0 volume=0.132 peak=418 ppm1=6.955 ppm2=6.288 assign ( resid 60 and name HD22) ( resid 60 and name H) 4.0 0.8 0.8 volume=0.466 peak=641 ppm1=7.595 ppm2=9.423 assign ( resid 104 and name H) ( resid 104 and name HA3) 3.3 0.7 0.7 volume=1.371 peak=1031 ppm1=8.807 ppm2=4.628 assign ( resid 18 and name HE1) ( resid 28 and name HB3) 4.0 0.8 0.8 volume=0.447 peak=540 ppm1=10.279 ppm2=1.517 assign ( resid 106 and name H) ( resid 82 and name H) 4.0 0.8 0.8 volume=0.450 peak=1060 ppm1=8.705 ppm2=7.703 assign ( resid 18 and name HE1) ( resid 27 and name HA) 3.9 0.8 0.8 volume=0.516 peak=10 ppm1=10.276 ppm2=4.498 assign ( resid 60 and name H) ( resid 59 and name HA) 2.8 0.6 0.6 volume=3.771 peak=545 ppm1=9.422 ppm2=4.803 assign ( resid 32 and name H) ( resid 33 and name H) 4.0 0.8 0.8 volume=0.452 peak=303 ppm1=8.267 ppm2=8.614 assign ( resid 95 and name H) ( resid 95 and name HB2) 3.4 0.7 0.7 volume=1.150 peak=533 ppm1=8.529 ppm2=2.599 assign ( resid 114 and name H) ( resid 114 and name HB3) 2.7 0.5 0.5 volume=5.280 peak=9 ppm1=7.509 ppm2=1.771 assign ( resid 92 and name H) ( resid 91 and name H) 3.9 0.8 0.8 volume=0.542 peak=1084 ppm1=8.626 ppm2=7.015 assign ( resid 28 and name H) ( resid 116 and name HD1*) 4.8 1.0 1.0 volume=0.154 peak=679 ppm1=8.449 ppm2=0.380 assign ( resid 16 and name H) ( resid 16 and name HB2) 3.3 0.7 0.7 volume=1.391 peak=344 ppm1=8.057 ppm2=2.678 assign ( resid 82 and name H) ( resid 82 and name HA3) 3.8 0.8 0.8 volume=0.628 peak=333 ppm1=7.709 ppm2=3.948 assign ( resid 119 and name H) ( resid 119 and name HG2) 3.1 0.6 0.6 volume=1.894 peak=813 ppm1=7.344 ppm2=2.549 assign ( resid 10 and name H) ( resid 127 and name HB3) 3.6 0.7 0.7 volume=0.854 peak=497 ppm1=9.791 ppm2=1.857 assign ( resid 83 and name H) ( resid 73 and name HE3) 4.5 0.9 0.9 volume=0.222 peak=659 ppm1=8.297 ppm2=7.612 assign ( resid 96 and name H) ( resid 95 and name HB3) 4.0 0.8 0.8 volume=0.469 peak=519 ppm1=7.928 ppm2=2.726 assign ( resid 31 and name H) ( resid 31 and name HG12) 3.4 0.7 0.7 volume=1.132 peak=562 ppm1=7.642 ppm2=0.789 assign ( resid 74 and name H) ( resid 73 and name HB3) 3.9 0.8 0.8 volume=0.501 peak=177 ppm1=7.923 ppm2=2.812 assign ( resid 114 and name H) ( resid 113 and name HA) 3.4 0.7 0.7 volume=1.196 peak=198 ppm1=7.507 ppm2=4.096 assign ( resid 71 and name HD22) ( resid 70 and name HB) 4.3 0.9 0.9 volume=0.302 peak=297 ppm1=6.957 ppm2=2.690 assign ( resid 118 and name H) ( resid 118 and name HA2) 2.9 0.6 0.6 volume=3.367 peak=553 ppm1=7.182 ppm2=3.799 assign ( resid 100 and name H) ( resid 99 and name H) 3.0 0.6 0.6 volume=2.346 peak=1070 ppm1=8.887 ppm2=7.385 assign ( resid 88 and name HE1) ( resid 88 and name HZ2) 3.5 0.7 0.7 volume=1.052 peak=63 ppm1=10.890 ppm2=7.969 assign ( resid 107 and name H) ( resid 31 and name HB) 3.7 0.7 0.7 volume=0.765 peak=603 ppm1=8.986 ppm2=1.879 assign ( resid 85 and name H) ( resid 84 and name HA) 3.4 0.7 0.7 volume=1.215 peak=577 ppm1=10.376 ppm2=5.652 assign ( resid 73 and name HE1) ( resid 75 and name HB2) 3.7 0.7 0.7 volume=0.744 peak=489 ppm1=10.101 ppm2=1.589 assign ( resid 114 and name H) ( resid 72 and name HE*) 4.4 0.9 0.9 volume=0.249 peak=360 ppm1=7.505 ppm2=6.490 assign ( resid 14 and name HD21) ( resid 14 and name H) 3.8 0.8 0.8 volume=0.633 peak=136 ppm1=7.077 ppm2=7.731 assign ( resid 99 and name H) ( resid 100 and name HB2) 4.2 0.8 0.8 volume=0.354 peak=372 ppm1=7.386 ppm2=2.291 assign ( resid 85 and name H) ( resid 110 and name HB2) 3.3 0.7 0.7 volume=1.316 peak=901 ppm1=10.376 ppm2=2.107 assign ( resid 24 and name H) ( resid 20 and name HD*) 4.0 0.8 0.8 volume=0.464 peak=504 ppm1=7.601 ppm2=6.206 assign ( resid 100 and name H) ( resid 99 and name HG2*) 3.4 0.7 0.7 volume=1.108 peak=971 ppm1=8.888 ppm2=1.083 assign ( resid 71 and name H) ( resid 72 and name H) 3.3 0.7 0.7 volume=1.365 peak=726 ppm1=10.383 ppm2=10.227 assign ( resid 18 and name H) ( resid 18 and name HE3) 3.9 0.8 0.8 volume=0.559 peak=363 ppm1=9.629 ppm2=7.917 assign ( resid 54 and name H) ( resid 56 and name HD1*) 4.2 0.8 0.8 volume=0.329 peak=17 ppm1=7.097 ppm2=-0.702 assign ( resid 31 and name H) ( resid 31 and name HG13) 3.2 0.6 0.6 volume=1.589 peak=668 ppm1=7.641 ppm2=0.469 assign ( resid 80 and name H) ( resid 80 and name HA3) 3.3 0.7 0.7 volume=1.418 peak=1023 ppm1=7.908 ppm2=3.830 assign ( resid 104 and name H) ( resid 34 and name HA3) 3.4 0.7 0.7 volume=1.209 peak=488 ppm1=8.806 ppm2=3.727 assign ( resid 128 and name H) ( resid 129 and name H) 4.3 0.9 0.9 volume=0.303 peak=792 ppm1=9.117 ppm2=8.827 assign ( resid 117 and name H) ( resid 120 and name HG1*) 4.5 0.9 0.9 volume=0.236 peak=359 ppm1=8.856 ppm2=0.144 assign ( resid 99 and name H) ( resid 98 and name H) 3.4 0.7 0.7 volume=1.202 peak=1064 ppm1=7.390 ppm2=6.510 assign ( resid 32 and name H) ( resid 31 and name H) 4.3 0.9 0.9 volume=0.275 peak=793 ppm1=8.268 ppm2=7.631 assign ( resid 115 and name H) ( resid 115 and name HG2) 3.3 0.7 0.7 volume=1.559 peak=493 ppm1=6.758 ppm2=2.342 assign ( resid 54 and name H) ( resid 53 and name HB2) 3.3 0.7 0.7 volume=1.456 peak=458 ppm1=7.101 ppm2=2.763 assign ( resid 88 and name H) ( resid 88 and name HB3) 3.3 0.7 0.7 volume=1.524 peak=653 ppm1=7.013 ppm2=3.337 assign ( resid 73 and name H) ( resid 51 and name H) 3.9 0.8 0.8 volume=0.487 peak=703 ppm1=9.009 ppm2=9.531 assign ( resid 83 and name H) ( resid 75 and name HA) 4.0 0.8 0.8 volume=0.466 peak=185 ppm1=8.294 ppm2=3.410 assign ( resid 40 and name H) ( resid 39 and name HA) 3.2 0.6 0.6 volume=1.855 peak=157 ppm1=8.707 ppm2=4.180 assign ( resid 82 and name H) ( resid 81 and name HA) 3.2 0.6 0.6 volume=1.760 peak=558 ppm1=7.708 ppm2=4.289 assign ( resid 24 and name H) ( resid 23 and name H) 3.0 0.6 0.6 volume=2.285 peak=784 ppm1=7.599 ppm2=8.846 assign ( resid 12 and name H) ( resid 11 and name HB2) 4.1 0.8 0.8 volume=0.395 peak=960 ppm1=9.559 ppm2=2.847 assign ( resid 24 and name H) ( resid 22 and name HB3) 4.1 0.8 0.8 volume=0.367 peak=605 ppm1=7.597 ppm2=2.892 assign ( resid 68 and name H) ( resid 68 and name HB3) 3.1 0.6 0.6 volume=1.982 peak=621 ppm1=9.240 ppm2=3.398 assign ( resid 13 and name H) ( resid 12 and name H) 3.4 0.7 0.7 volume=1.300 peak=1009 ppm1=9.095 ppm2=9.561 assign ( resid 116 and name H) ( resid 115 and name HA) 3.6 0.7 0.7 volume=0.903 peak=880 ppm1=8.668 ppm2=3.937 assign ( resid 84 and name H) ( resid 83 and name HG12) 3.1 0.6 0.6 volume=2.274 peak=801 ppm1=8.060 ppm2=1.457 assign ( resid 72 and name H) ( resid 71 and name HD22) 4.3 0.9 0.9 volume=0.285 peak=852 ppm1=10.231 ppm2=6.946 assign ( resid 87 and name H) ( resid 88 and name H) 3.3 0.7 0.7 volume=1.330 peak=957 ppm1=9.732 ppm2=7.010 assign ( resid 93 and name H) ( resid 92 and name HA) 3.0 0.6 0.6 volume=2.428 peak=1044 ppm1=7.989 ppm2=4.431 assign ( resid 33 and name H) ( resid 32 and name HB) 4.0 0.8 0.8 volume=0.436 peak=730 ppm1=8.605 ppm2=1.873 assign ( resid 92 and name H) ( resid 92 and name HB3) 3.6 0.7 0.7 volume=0.875 peak=916 ppm1=8.627 ppm2=2.322 assign ( resid 74 and name H) ( resid 73 and name HE3) 4.0 0.8 0.8 volume=0.431 peak=619 ppm1=7.922 ppm2=7.613 assign ( resid 25 and name H) ( resid 24 and name HA) 2.6 0.5 0.5 volume=5.795 peak=826 ppm1=8.701 ppm2=4.751 assign ( resid 60 and name H) ( resid 60 and name HA) 3.0 0.6 0.6 volume=2.753 peak=274 ppm1=9.422 ppm2=4.916 assign ( resid 59 and name H) ( resid 58 and name H) 3.5 0.7 0.7 volume=1.073 peak=300 ppm1=8.495 ppm2=6.601 assign ( resid 98 and name H) ( resid 99 and name H) 3.2 0.6 0.6 volume=1.727 peak=924 ppm1=6.514 ppm2=7.383 assign ( resid 71 and name H) ( resid 70 and name HB) 3.2 0.6 0.6 volume=1.626 peak=682 ppm1=10.383 ppm2=2.681 assign ( resid 70 and name H) ( resid 54 and name H) 3.7 0.7 0.7 volume=0.697 peak=970 ppm1=8.621 ppm2=7.099 assign ( resid 126 and name H) ( resid 125 and name HG2) 3.6 0.7 0.7 volume=0.901 peak=994 ppm1=8.524 ppm2=2.356 assign ( resid 58 and name H) ( resid 66 and name HB3) 4.5 0.9 0.9 volume=0.213 peak=242 ppm1=6.602 ppm2=2.565 assign ( resid 111 and name H) ( resid 111 and name HB2) 3.1 0.6 0.6 volume=2.086 peak=616 ppm1=8.931 ppm2=3.879 assign ( resid 102 and name H) ( resid 35 and name HB3) 4.1 0.8 0.8 volume=0.398 peak=872 ppm1=8.489 ppm2=1.446 assign ( resid 86 and name H) ( resid 110 and name HG3) 3.9 0.8 0.8 volume=0.512 peak=1040 ppm1=8.080 ppm2=1.806 assign ( resid 9 and name H) ( resid 126 and name HG1*) 3.1 0.6 0.6 volume=2.192 peak=74 ppm1=9.751 ppm2=0.870 assign ( resid 42 and name H) ( resid 41 and name HG2) 3.1 0.6 0.6 volume=2.224 peak=1082 ppm1=7.578 ppm2=2.024 assign ( resid 118 and name H) ( resid 118 and name HA3) 2.8 0.6 0.6 volume=3.518 peak=436 ppm1=7.182 ppm2=3.922 assign ( resid 26 and name H) ( resid 25 and name H) 4.2 0.8 0.8 volume=0.343 peak=776 ppm1=9.288 ppm2=8.700 assign ( resid 53 and name H) ( resid 53 and name HB3) 3.5 0.7 0.7 volume=1.057 peak=67 ppm1=8.322 ppm2=2.584 assign ( resid 26 and name H) ( resid 25 and name HA) 3.2 0.6 0.6 volume=1.680 peak=716 ppm1=9.289 ppm2=3.252 assign ( resid 129 and name H) ( resid 128 and name HA) 3.2 0.6 0.6 volume=1.777 peak=276 ppm1=8.828 ppm2=5.045 assign ( resid 106 and name H) ( resid 81 and name HA) 4.4 0.9 0.9 volume=0.264 peak=342 ppm1=8.711 ppm2=4.294 assign ( resid 96 and name H) ( resid 96 and name HG) 3.0 0.6 0.6 volume=2.455 peak=728 ppm1=7.925 ppm2=1.718 assign ( resid 37 and name H) ( resid 36 and name HB2) 3.8 0.8 0.8 volume=0.583 peak=665 ppm1=7.309 ppm2=2.509 assign ( resid 116 and name H) ( resid 115 and name HB3) 2.9 0.6 0.6 volume=3.342 peak=1007 ppm1=8.665 ppm2=2.004 assign ( resid 77 and name H) ( resid 77 and name HB3) 4.2 0.8 0.8 volume=0.334 peak=532 ppm1=7.539 ppm2=2.470 assign ( resid 89 and name HE22) ( resid 91 and name HB3) 3.9 0.8 0.8 volume=0.528 peak=301 ppm1=7.253 ppm2=1.963 assign ( resid 14 and name HD21) ( resid 14 and name HA) 4.1 0.8 0.8 volume=0.416 peak=52 ppm1=7.080 ppm2=4.808 assign ( resid 71 and name H) ( resid 71 and name HA) 3.5 0.7 0.7 volume=1.007 peak=804 ppm1=10.382 ppm2=4.310 assign ( resid 32 and name H) ( resid 73 and name HZ3) 4.1 0.8 0.8 volume=0.375 peak=94 ppm1=8.266 ppm2=6.846 assign ( resid 105 and name H) ( resid 105 and name HB3) 3.7 0.7 0.7 volume=0.691 peak=777 ppm1=9.113 ppm2=3.486 assign ( resid 20 and name H) ( resid 20 and name HD*) 3.9 0.8 0.8 volume=0.491 peak=755 ppm1=8.987 ppm2=6.206 assign ( resid 102 and name H) ( resid 35 and name HB2) 4.2 0.8 0.8 volume=0.323 peak=1001 ppm1=8.493 ppm2=2.150 assign ( resid 18 and name HE1) ( resid 18 and name HB2) 3.8 0.8 0.8 volume=0.649 peak=324 ppm1=10.276 ppm2=2.664 assign ( resid 60 and name HD22) ( resid 63 and name H) 4.2 0.8 0.8 volume=0.326 peak=34 ppm1=7.592 ppm2=8.121 assign ( resid 64 and name H) ( resid 64 and name HG2*) 2.8 0.6 0.6 volume=3.455 peak=377 ppm1=8.117 ppm2=1.255 assign ( resid 100 and name H) ( resid 101 and name H) 3.3 0.7 0.7 volume=1.534 peak=46 ppm1=8.887 ppm2=7.179 assign ( resid 88 and name HE1) ( resid 60 and name HD21) 3.1 0.6 0.6 volume=1.959 peak=224 ppm1=10.891 ppm2=6.946 assign ( resid 62 and name H) ( resid 60 and name HB2) 2.7 0.5 0.5 volume=5.033 peak=428 ppm1=7.733 ppm2=3.066 assign ( resid 72 and name H) ( resid 113 and name HG3) 4.4 0.9 0.9 volume=0.250 peak=1062 ppm1=10.229 ppm2=3.577 assign ( resid 49 and name H) ( resid 47 and name HA) 3.7 0.7 0.7 volume=0.698 peak=263 ppm1=7.238 ppm2=4.027 assign ( resid 94 and name H) ( resid 94 and name HA3) 2.8 0.6 0.6 volume=3.549 peak=340 ppm1=8.641 ppm2=3.976 assign ( resid 117 and name H) ( resid 116 and name H) 3.5 0.7 0.7 volume=0.956 peak=599 ppm1=8.856 ppm2=8.662 assign ( resid 116 and name H) ( resid 117 and name H) 3.6 0.7 0.7 volume=0.843 peak=317 ppm1=8.668 ppm2=8.858 assign ( resid 86 and name H) ( resid 85 and name HA) 3.2 0.6 0.6 volume=1.611 peak=1016 ppm1=8.077 ppm2=5.143 assign ( resid 100 and name H) ( resid 100 and name HA) 3.4 0.7 0.7 volume=1.242 peak=1053 ppm1=8.887 ppm2=4.785 assign ( resid 66 and name H) ( resid 60 and name H) 3.5 0.7 0.7 volume=0.938 peak=89 ppm1=8.095 ppm2=9.421 assign ( resid 30 and name H) ( resid 30 and name HB3) 3.0 0.6 0.6 volume=2.330 peak=101 ppm1=8.402 ppm2=2.651 assign ( resid 119 and name H) ( resid 118 and name HA3) 3.2 0.6 0.6 volume=1.608 peak=516 ppm1=7.344 ppm2=3.923 assign ( resid 92 and name H) ( resid 91 and name HA) 2.7 0.5 0.5 volume=4.377 peak=611 ppm1=8.626 ppm2=4.537 assign ( resid 113 and name H) ( resid 112 and name HB) 3.2 0.6 0.6 volume=1.795 peak=196 ppm1=8.603 ppm2=1.758 assign ( resid 23 and name H) ( resid 24 and name HG2) 4.3 0.9 0.9 volume=0.297 peak=685 ppm1=8.843 ppm2=1.385 assign ( resid 104 and name H) ( resid 103 and name H) 4.1 0.8 0.8 volume=0.378 peak=913 ppm1=8.807 ppm2=8.953 assign ( resid 23 and name H) ( resid 6 and name HA) 4.4 0.9 0.9 volume=0.267 peak=371 ppm1=8.848 ppm2=5.228 assign ( resid 26 and name H) ( resid 19 and name HB3) 4.3 0.9 0.9 volume=0.300 peak=959 ppm1=9.291 ppm2=2.718 assign ( resid 105 and name H) ( resid 81 and name HG2*) 4.2 0.8 0.8 volume=0.354 peak=514 ppm1=9.115 ppm2=0.660 assign ( resid 14 and name HD22) ( resid 14 and name H) 3.9 0.8 0.8 volume=0.522 peak=1085 ppm1=9.007 ppm2=7.732 assign ( resid 97 and name HE1) ( resid 98 and name HE2) 4.1 0.8 0.8 volume=0.389 peak=1038 ppm1=10.663 ppm2=2.727 assign ( resid 48 and name H) ( resid 49 and name H) 4.1 0.8 0.8 volume=0.402 peak=538 ppm1=7.989 ppm2=7.233 assign ( resid 101 and name H) ( resid 35 and name HB3) 3.5 0.7 0.7 volume=1.068 peak=604 ppm1=7.180 ppm2=1.448 assign ( resid 101 and name H) ( resid 99 and name H) 3.6 0.7 0.7 volume=0.843 peak=151 ppm1=7.181 ppm2=7.386 assign ( resid 14 and name HD22) ( resid 14 and name HD21) 2.8 0.6 0.6 volume=3.976 peak=159 ppm1=9.005 ppm2=7.076 assign ( resid 70 and name H) ( resid 70 and name HG1*) 3.1 0.6 0.6 volume=1.970 peak=1012 ppm1=8.620 ppm2=0.764 assign ( resid 121 and name H) ( resid 121 and name HG3) 3.4 0.7 0.7 volume=1.217 peak=132 ppm1=8.105 ppm2=2.244 assign ( resid 89 and name H) ( resid 89 and name HA) 3.4 0.7 0.7 volume=1.133 peak=680 ppm1=7.143 ppm2=5.204 assign ( resid 18 and name H) ( resid 18 and name HA) 3.8 0.8 0.8 volume=0.603 peak=836 ppm1=9.626 ppm2=4.954 assign ( resid 82 and name H) ( resid 81 and name HB) 3.9 0.8 0.8 volume=0.522 peak=803 ppm1=7.709 ppm2=1.737 assign ( resid 95 and name H) ( resid 94 and name HA3) 2.9 0.6 0.6 volume=3.172 peak=636 ppm1=8.531 ppm2=3.977 assign ( resid 115 and name H) ( resid 115 and name HB3) 2.7 0.5 0.5 volume=5.111 peak=714 ppm1=6.759 ppm2=2.006 assign ( resid 21 and name H) ( resid 24 and name H) 3.1 0.6 0.6 volume=2.075 peak=375 ppm1=8.461 ppm2=7.604 assign ( resid 66 and name H) ( resid 65 and name HB3) 3.1 0.6 0.6 volume=1.918 peak=439 ppm1=8.095 ppm2=2.235 assign ( resid 17 and name H) ( resid 29 and name H) 3.4 0.7 0.7 volume=1.262 peak=368 ppm1=8.249 ppm2=8.026 assign ( resid 92 and name H) ( resid 92 and name HB2) 3.2 0.6 0.6 volume=1.615 peak=652 ppm1=8.626 ppm2=2.571 assign ( resid 84 and name H) ( resid 86 and name HB2) 3.3 0.7 0.7 volume=1.344 peak=799 ppm1=8.054 ppm2=2.427 assign ( resid 45 and name H) ( resid 45 and name HD*) 4.1 0.8 0.8 volume=0.382 peak=298 ppm1=9.264 ppm2=7.136 assign ( resid 66 and name H) ( resid 59 and name H) 4.1 0.8 0.8 volume=0.408 peak=635 ppm1=8.095 ppm2=8.496 assign ( resid 101 and name H) ( resid 97 and name HA) 3.4 0.7 0.7 volume=1.213 peak=445 ppm1=7.179 ppm2=3.731 assign ( resid 80 and name H) ( resid 81 and name HG1*) 4.0 0.8 0.8 volume=0.449 peak=449 ppm1=7.909 ppm2=0.765 assign ( resid 128 and name H) ( resid 127 and name HD1*) 2.8 0.6 0.6 volume=3.479 peak=952 ppm1=9.119 ppm2=0.822 assign ( resid 57 and name H) ( resid 56 and name HG) 3.6 0.7 0.7 volume=0.797 peak=756 ppm1=8.066 ppm2=0.966 assign ( resid 117 and name H) ( resid 116 and name HB3) 3.4 0.7 0.7 volume=1.296 peak=228 ppm1=8.857 ppm2=1.767 assign ( resid 58 and name H) ( resid 68 and name H) 3.8 0.8 0.8 volume=0.616 peak=448 ppm1=6.603 ppm2=9.239 assign ( resid 87 and name H) ( resid 86 and name HA) 3.1 0.6 0.6 volume=2.217 peak=42 ppm1=9.733 ppm2=3.621 assign ( resid 113 and name H) ( resid 114 and name H) 3.5 0.7 0.7 volume=0.959 peak=938 ppm1=8.603 ppm2=7.504 assign ( resid 85 and name H) ( resid 70 and name HG2*) 3.9 0.8 0.8 volume=0.511 peak=120 ppm1=10.375 ppm2=0.507 assign ( resid 63 and name H) ( resid 60 and name H) 3.9 0.8 0.8 volume=0.493 peak=661 ppm1=8.139 ppm2=9.426 assign ( resid 10 and name H) ( resid 128 and name HA) 3.7 0.7 0.7 volume=0.726 peak=414 ppm1=9.791 ppm2=5.049 assign ( resid 50 and name H) ( resid 49 and name HA) 2.8 0.6 0.6 volume=3.474 peak=97 ppm1=7.520 ppm2=4.637 assign ( resid 99 and name H) ( resid 98 and name HD2) 4.1 0.8 0.8 volume=0.378 peak=1107 ppm1=7.393 ppm2=1.253 assign ( resid 9 and name H) ( resid 9 and name HA) 4.0 0.8 0.8 volume=0.468 peak=884 ppm1=9.751 ppm2=5.770 assign ( resid 9 and name H) ( resid 20 and name H) 4.2 0.8 0.8 volume=0.337 peak=662 ppm1=9.749 ppm2=8.985 assign ( resid 48 and name H) ( resid 47 and name HA) 4.0 0.8 0.8 volume=0.461 peak=121 ppm1=7.998 ppm2=4.030 assign ( resid 108 and name H) ( resid 86 and name HB2) 3.2 0.6 0.6 volume=1.592 peak=928 ppm1=8.193 ppm2=2.416 assign ( resid 56 and name H) ( resid 55 and name HG2*) 3.2 0.6 0.6 volume=1.795 peak=1014 ppm1=8.163 ppm2=0.798 assign ( resid 97 and name HE1) ( resid 95 and name HA) 4.0 0.8 0.8 volume=0.457 peak=945 ppm1=10.667 ppm2=5.163 assign ( resid 100 and name H) ( resid 97 and name HA) 4.0 0.8 0.8 volume=0.418 peak=731 ppm1=8.891 ppm2=3.732 assign ( resid 60 and name H) ( resid 59 and name H) 3.9 0.8 0.8 volume=0.560 peak=332 ppm1=9.424 ppm2=8.486 assign ( resid 111 and name H) ( resid 109 and name HB3) 4.2 0.8 0.8 volume=0.332 peak=366 ppm1=8.931 ppm2=1.344 assign ( resid 33 and name H) ( resid 97 and name HA) 3.7 0.7 0.7 volume=0.683 peak=495 ppm1=8.604 ppm2=3.726 assign ( resid 77 and name H) ( resid 75 and name HA) 4.3 0.9 0.9 volume=0.286 peak=1079 ppm1=7.527 ppm2=3.403 assign ( resid 57 and name H) ( resid 57 and name HB2) 2.7 0.5 0.5 volume=4.314 peak=277 ppm1=8.065 ppm2=1.448 assign ( resid 71 and name H) ( resid 113 and name HG3) 4.4 0.9 0.9 volume=0.257 peak=940 ppm1=10.382 ppm2=3.533 assign ( resid 111 and name H) ( resid 110 and name HB2) 3.7 0.7 0.7 volume=0.719 peak=164 ppm1=8.931 ppm2=2.111 assign ( resid 10 and name H) ( resid 129 and name H) 4.1 0.8 0.8 volume=0.388 peak=535 ppm1=9.790 ppm2=8.830 assign ( resid 92 and name H) ( resid 91 and name HG3) 3.3 0.7 0.7 volume=1.396 peak=318 ppm1=8.627 ppm2=2.133 assign ( resid 121 and name H) ( resid 122 and name H) 4.1 0.8 0.8 volume=0.383 peak=1068 ppm1=8.108 ppm2=9.198 assign ( resid 111 and name H) ( resid 112 and name H) 3.7 0.7 0.7 volume=0.716 peak=36 ppm1=8.931 ppm2=6.706 assign ( resid 72 and name H) ( resid 70 and name HG1*) 3.8 0.8 0.8 volume=0.588 peak=107 ppm1=10.230 ppm2=0.748 assign ( resid 106 and name H) ( resid 106 and name HG12) 3.8 0.8 0.8 volume=0.581 peak=37 ppm1=8.707 ppm2=1.339 assign ( resid 9 and name H) ( resid 17 and name HA) 4.2 0.8 0.8 volume=0.313 peak=630 ppm1=9.754 ppm2=5.641 assign ( resid 37 and name H) ( resid 35 and name H) 4.3 0.9 0.9 volume=0.275 peak=582 ppm1=7.313 ppm2=8.328 assign ( resid 27 and name H) ( resid 28 and name H) 3.4 0.7 0.7 volume=1.260 peak=292 ppm1=7.631 ppm2=8.453 assign ( resid 113 and name H) ( resid 112 and name HG2*) 3.3 0.7 0.7 volume=1.557 peak=203 ppm1=8.602 ppm2=0.663 assign ( resid 18 and name H) ( resid 17 and name HG3) 3.7 0.7 0.7 volume=0.744 peak=131 ppm1=9.629 ppm2=1.779 assign ( resid 88 and name H) ( resid 87 and name HB3) 3.9 0.8 0.8 volume=0.513 peak=218 ppm1=7.015 ppm2=2.718 assign ( resid 98 and name H) ( resid 98 and name HE2) 3.5 0.7 0.7 volume=0.988 peak=891 ppm1=6.512 ppm2=2.731 assign ( resid 123 and name H) ( resid 122 and name H) 4.4 0.9 0.9 volume=0.238 peak=5 ppm1=9.546 ppm2=9.197 assign ( resid 100 and name H) ( resid 100 and name HB2) 3.7 0.7 0.7 volume=0.703 peak=243 ppm1=8.887 ppm2=2.292 assign ( resid 24 and name H) ( resid 22 and name HB2) 3.4 0.7 0.7 volume=1.105 peak=99 ppm1=7.600 ppm2=2.676 assign ( resid 97 and name H) ( resid 32 and name HA) 3.9 0.8 0.8 volume=0.509 peak=521 ppm1=9.595 ppm2=4.782 assign ( resid 46 and name H) ( resid 45 and name HA) 3.7 0.7 0.7 volume=0.683 peak=411 ppm1=7.910 ppm2=5.065 assign ( resid 66 and name H) ( resid 66 and name HB2) 3.5 0.7 0.7 volume=1.051 peak=639 ppm1=8.095 ppm2=2.884 assign ( resid 113 and name H) ( resid 113 and name HB2) 3.3 0.7 0.7 volume=1.497 peak=1078 ppm1=8.605 ppm2=2.169 assign ( resid 10 and name H) ( resid 9 and name HB2) 3.7 0.7 0.7 volume=0.711 peak=814 ppm1=9.792 ppm2=2.450 assign ( resid 92 and name H) ( resid 91 and name HG2) 3.3 0.7 0.7 volume=1.525 peak=990 ppm1=8.627 ppm2=2.219 assign ( resid 21 and name H) ( resid 21 and name HB2) 3.1 0.6 0.6 volume=2.009 peak=686 ppm1=8.462 ppm2=1.528 assign ( resid 63 and name H) ( resid 59 and name HG2*) 3.2 0.6 0.6 volume=1.848 peak=367 ppm1=8.138 ppm2=1.134 assign ( resid 54 and name H) ( resid 24 and name HA) 3.6 0.7 0.7 volume=0.834 peak=316 ppm1=7.101 ppm2=4.745 assign ( resid 64 and name H) ( resid 63 and name HA2) 3.3 0.7 0.7 volume=1.349 peak=257 ppm1=8.117 ppm2=3.623 assign ( resid 12 and name H) ( resid 11 and name HB3) 4.2 0.8 0.8 volume=0.324 peak=137 ppm1=9.563 ppm2=3.140 assign ( resid 98 and name H) ( resid 98 and name HG2) 3.2 0.6 0.6 volume=1.827 peak=481 ppm1=6.513 ppm2=-0.182 assign ( resid 26 and name H) ( resid 25 and name HG2*) 3.6 0.7 0.7 volume=0.883 peak=365 ppm1=9.291 ppm2=0.675 assign ( resid 105 and name H) ( resid 34 and name H) 4.5 0.9 0.9 volume=0.210 peak=295 ppm1=9.113 ppm2=8.178 assign ( resid 44 and name H) ( resid 43 and name HA3) 3.1 0.6 0.6 volume=2.221 peak=554 ppm1=7.479 ppm2=4.025 assign ( resid 4 and name H) ( resid 4 and name HB2) 3.4 0.7 0.7 volume=1.285 peak=221 ppm1=8.354 ppm2=2.048 assign ( resid 8 and name H) ( resid 7 and name HA) 3.5 0.7 0.7 volume=1.053 peak=320 ppm1=9.225 ppm2=5.074 assign ( resid 17 and name H) ( resid 30 and name HA) 3.7 0.7 0.7 volume=0.774 peak=648 ppm1=8.247 ppm2=5.325 assign ( resid 25 and name H) ( resid 25 and name HA) 3.2 0.6 0.6 volume=1.591 peak=627 ppm1=8.701 ppm2=3.251 assign ( resid 88 and name HE1) ( resid 82 and name HA2) 4.6 0.9 0.9 volume=0.194 peak=1051 ppm1=10.886 ppm2=4.057 assign ( resid 122 and name H) ( resid 121 and name HG3) 3.7 0.7 0.7 volume=0.719 peak=634 ppm1=9.202 ppm2=2.241 assign ( resid 122 and name H) ( resid 123 and name H) 4.2 0.8 0.8 volume=0.328 peak=700 ppm1=9.207 ppm2=9.539 assign ( resid 98 and name H) ( resid 95 and name HA) 4.1 0.8 0.8 volume=0.385 peak=266 ppm1=6.514 ppm2=5.151 assign ( resid 64 and name H) ( resid 60 and name H) 3.8 0.8 0.8 volume=0.572 peak=453 ppm1=8.116 ppm2=9.422 assign ( resid 49 and name HD22) ( resid 49 and name HB3) 3.7 0.7 0.7 volume=0.714 peak=252 ppm1=7.701 ppm2=1.658 assign ( resid 28 and name H) ( resid 29 and name H) 3.9 0.8 0.8 volume=0.501 peak=392 ppm1=8.448 ppm2=8.019 assign ( resid 51 and name H) ( resid 52 and name H) 4.1 0.8 0.8 volume=0.389 peak=321 ppm1=9.528 ppm2=8.650 assign ( resid 88 and name HE1) ( resid 89 and name HB3) 3.6 0.7 0.7 volume=0.820 peak=677 ppm1=10.889 ppm2=1.615 assign ( resid 104 and name H) ( resid 35 and name H) 4.2 0.8 0.8 volume=0.324 peak=486 ppm1=8.805 ppm2=8.329 assign ( resid 124 and name H) ( resid 123 and name HA2) 3.5 0.7 0.7 volume=0.947 peak=762 ppm1=7.409 ppm2=4.328 assign ( resid 43 and name H) ( resid 45 and name HE*) 3.9 0.8 0.8 volume=0.524 peak=1019 ppm1=9.202 ppm2=7.152 assign ( resid 89 and name HE21) ( resid 100 and name HA) 4.2 0.8 0.8 volume=0.330 peak=85 ppm1=7.605 ppm2=4.792 assign ( resid 58 and name H) ( resid 57 and name HA) 2.7 0.5 0.5 volume=5.042 peak=29 ppm1=6.602 ppm2=4.612 assign ( resid 34 and name H) ( resid 34 and name HA3) 3.6 0.7 0.7 volume=0.862 peak=1026 ppm1=8.165 ppm2=3.727 assign ( resid 99 and name H) ( resid 98 and name HG3) 4.5 0.9 0.9 volume=0.212 peak=39 ppm1=7.381 ppm2=-0.339 assign ( resid 59 and name H) ( resid 66 and name HE*) 3.5 0.7 0.7 volume=0.991 peak=214 ppm1=8.491 ppm2=5.994 assign ( resid 102 and name H) ( resid 97 and name HA) 3.2 0.6 0.6 volume=1.675 peak=124 ppm1=8.488 ppm2=3.737 assign ( resid 119 and name H) ( resid 118 and name H) 3.2 0.6 0.6 volume=1.799 peak=678 ppm1=7.343 ppm2=7.178 assign ( resid 114 and name H) ( resid 114 and name HG3) 3.3 0.7 0.7 volume=1.388 peak=837 ppm1=7.505 ppm2=1.331 assign ( resid 88 and name H) ( resid 88 and name HB2) 3.3 0.7 0.7 volume=1.376 peak=269 ppm1=7.012 ppm2=3.471 assign ( resid 25 and name H) ( resid 26 and name H) 3.8 0.8 0.8 volume=0.629 peak=176 ppm1=8.701 ppm2=9.285 assign ( resid 23 and name H) ( resid 5 and name HB3) 3.1 0.6 0.6 volume=2.123 peak=78 ppm1=8.846 ppm2=2.679 assign ( resid 53 and name H) ( resid 54 and name H) 3.2 0.6 0.6 volume=1.576 peak=420 ppm1=8.322 ppm2=7.098 assign ( resid 20 and name H) ( resid 19 and name HD*) 4.0 0.8 0.8 volume=0.429 peak=934 ppm1=8.985 ppm2=6.863 assign ( resid 81 and name H) ( resid 80 and name H) 3.3 0.7 0.7 volume=1.355 peak=879 ppm1=8.702 ppm2=7.906 assign ( resid 92 and name H) ( resid 91 and name HB3) 3.1 0.6 0.6 volume=2.011 peak=71 ppm1=8.625 ppm2=1.956 assign ( resid 18 and name HE1) ( resid 18 and name HB3) 4.0 0.8 0.8 volume=0.432 peak=141 ppm1=10.272 ppm2=3.286 assign ( resid 108 and name H) ( resid 108 and name HG2*) 3.4 0.7 0.7 volume=1.251 peak=251 ppm1=8.195 ppm2=0.768 assign ( resid 71 and name H) ( resid 71 and name HD22) 3.9 0.8 0.8 volume=0.512 peak=969 ppm1=10.384 ppm2=6.947 assign ( resid 103 and name H) ( resid 102 and name HA) 4.6 0.9 0.9 volume=0.204 peak=637 ppm1=8.944 ppm2=4.638 assign ( resid 49 and name H) ( resid 49 and name HB2) 3.8 0.8 0.8 volume=0.640 peak=490 ppm1=7.240 ppm2=2.607 assign ( resid 20 and name H) ( resid 20 and name HE*) 3.8 0.8 0.8 volume=0.596 peak=871 ppm1=8.985 ppm2=6.385 assign ( resid 66 and name H) ( resid 66 and name HD*) 3.8 0.8 0.8 volume=0.580 peak=920 ppm1=8.095 ppm2=6.291 assign ( resid 79 and name H) ( resid 78 and name HA) 4.4 0.9 0.9 volume=0.269 peak=478 ppm1=8.514 ppm2=5.148 assign ( resid 42 and name H) ( resid 41 and name HA) 2.6 0.5 0.5 volume=6.073 peak=485 ppm1=7.577 ppm2=4.304 assign ( resid 12 and name H) ( resid 129 and name H) 4.1 0.8 0.8 volume=0.383 peak=689 ppm1=9.565 ppm2=8.822 assign ( resid 48 and name HE1) ( resid 76 and name HA) 4.6 0.9 0.9 volume=0.193 peak=772 ppm1=9.251 ppm2=5.595 assign ( resid 97 and name H) ( resid 32 and name HG2*) 3.6 0.7 0.7 volume=0.835 peak=632 ppm1=9.596 ppm2=1.105 assign ( resid 105 and name H) ( resid 34 and name HA2) 4.4 0.9 0.9 volume=0.242 peak=205 ppm1=9.107 ppm2=4.168 assign ( resid 71 and name HD22) ( resid 70 and name HA) 4.4 0.9 0.9 volume=0.248 peak=88 ppm1=6.952 ppm2=4.744 assign ( resid 113 and name H) ( resid 113 and name HB3) 3.3 0.7 0.7 volume=1.370 peak=358 ppm1=8.603 ppm2=1.368 assign ( resid 124 and name H) ( resid 25 and name HG2*) 3.2 0.6 0.6 volume=1.841 peak=135 ppm1=7.410 ppm2=0.682 assign ( resid 49 and name H) ( resid 49 and name HB3) 3.4 0.7 0.7 volume=1.167 peak=594 ppm1=7.239 ppm2=1.655 assign ( resid 55 and name H) ( resid 56 and name HD1*) 4.1 0.8 0.8 volume=0.411 peak=160 ppm1=8.402 ppm2=-0.693 assign ( resid 100 and name H) ( resid 100 and name HG3) 3.3 0.7 0.7 volume=1.432 peak=444 ppm1=8.887 ppm2=1.647 assign ( resid 107 and name H) ( resid 108 and name H) 3.5 0.7 0.7 volume=0.943 peak=684 ppm1=8.988 ppm2=8.213 assign ( resid 87 and name H) ( resid 88 and name HZ3) 4.3 0.9 0.9 volume=0.285 peak=968 ppm1=9.732 ppm2=7.516 assign ( resid 106 and name H) ( resid 105 and name H) 4.3 0.9 0.9 volume=0.279 peak=374 ppm1=8.708 ppm2=9.096 assign ( resid 8 and name H) ( resid 8 and name HB) 3.3 0.7 0.7 volume=1.511 peak=154 ppm1=9.224 ppm2=1.906 assign ( resid 67 and name H) ( resid 67 and name HB3) 2.9 0.6 0.6 volume=3.301 peak=552 ppm1=8.199 ppm2=1.673 assign ( resid 117 and name H) ( resid 116 and name HA) 3.8 0.8 0.8 volume=0.581 peak=510 ppm1=8.860 ppm2=3.568 assign ( resid 33 and name H) ( resid 96 and name H) 3.6 0.7 0.7 volume=0.879 peak=314 ppm1=8.604 ppm2=7.904 assign ( resid 54 and name H) ( resid 56 and name HD2*) 4.5 0.9 0.9 volume=0.232 peak=190 ppm1=7.104 ppm2=-0.109 assign ( resid 56 and name H) ( resid 55 and name HA) 3.1 0.6 0.6 volume=2.153 peak=834 ppm1=8.163 ppm2=4.343 assign ( resid 9 and name H) ( resid 8 and name HB) 3.5 0.7 0.7 volume=0.940 peak=170 ppm1=9.752 ppm2=1.901 assign ( resid 42 and name H) ( resid 41 and name HB3) 3.2 0.6 0.6 volume=1.678 peak=923 ppm1=7.577 ppm2=2.253 assign ( resid 27 and name H) ( resid 27 and name HA) 2.9 0.6 0.6 volume=3.108 peak=816 ppm1=7.631 ppm2=4.484 assign ( resid 55 and name H) ( resid 54 and name H) 3.5 0.7 0.7 volume=0.922 peak=515 ppm1=8.404 ppm2=7.097 assign ( resid 5 and name H) ( resid 4 and name HG2) 3.5 0.7 0.7 volume=1.029 peak=470 ppm1=8.430 ppm2=2.229 assign ( resid 31 and name H) ( resid 92 and name HA) 3.5 0.7 0.7 volume=0.975 peak=64 ppm1=7.642 ppm2=4.426 assign ( resid 51 and name H) ( resid 73 and name H) 3.8 0.8 0.8 volume=0.567 peak=873 ppm1=9.526 ppm2=9.004 assign ( resid 13 and name H) ( resid 12 and name HB2) 3.6 0.7 0.7 volume=0.819 peak=1071 ppm1=9.097 ppm2=1.803 assign ( resid 58 and name H) ( resid 66 and name HE*) 4.1 0.8 0.8 volume=0.384 peak=712 ppm1=6.607 ppm2=5.994 assign ( resid 21 and name H) ( resid 21 and name HG2) 3.1 0.6 0.6 volume=2.190 peak=1056 ppm1=8.462 ppm2=1.234 assign ( resid 108 and name H) ( resid 108 and name HA) 3.9 0.8 0.8 volume=0.543 peak=475 ppm1=8.192 ppm2=4.420 assign ( resid 59 and name H) ( resid 59 and name HA) 3.1 0.6 0.6 volume=1.885 peak=739 ppm1=8.493 ppm2=4.790 assign ( resid 21 and name H) ( resid 26 and name H) 3.4 0.7 0.7 volume=1.101 peak=927 ppm1=8.461 ppm2=9.285 assign ( resid 66 and name H) ( resid 65 and name HD3) 4.3 0.9 0.9 volume=0.288 peak=330 ppm1=8.092 ppm2=3.699 assign ( resid 43 and name H) ( resid 128 and name HB) 3.3 0.7 0.7 volume=1.315 peak=646 ppm1=9.202 ppm2=2.454 assign ( resid 72 and name H) ( resid 73 and name HD1) 4.3 0.9 0.9 volume=0.275 peak=1024 ppm1=10.229 ppm2=7.083 assign ( resid 116 and name H) ( resid 116 and name HA) 3.3 0.7 0.7 volume=1.365 peak=1054 ppm1=8.667 ppm2=3.561 assign ( resid 47 and name H) ( resid 46 and name HB3) 3.7 0.7 0.7 volume=0.693 peak=126 ppm1=8.271 ppm2=2.419
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