NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
591182 | 2n26 | 25587 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign ( resid 98 and name HG2# ) ( resid 85 and name HA or resid 86 and name HA ) 3.6 1.8 0.7 volume=0.463 peak=41 ppm1=1.130 ppm2=4.100 assign ( resid 96 and name HD1# ) ( resid 86 and name HA or resid 94 and name HA2 ) 4.2 2.4 0.8 volume=0.203 peak=14 ppm1=0.564 ppm2=4.103 assign ( resid 60 and name HB2 ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 4.3 2.5 0.9 volume=0.169 peak=36 ppm1=2.624 ppm2=0.571 assign ( resid 103 and name HD1# ) ( resid 88 and name HE1 or resid 88 and name HE2 or resid 97 and name HE1 or resid 97 and name HE2 ) 2.9 1.1 0.6 volume=1.944 peak=35 ppm1=0.808 ppm2=6.680 assign ( resid 86 and name HA ) ( resid 80 and name HG1 or resid 87 and name HB2 or resid 87 and name HB1 or resid 96 and name HB1 ) 3.4 1.6 0.7 volume=0.706 peak=8 ppm1=4.102 ppm2=1.345 assign ( resid 76 and name HD22 ) ( resid 72 and name HB or resid 75 and name HD2# ) 4.2 2.4 0.8 volume=0.188 peak=11 ppm1=6.594 ppm2=0.842 assign ( resid 75 and name HN ) ( resid 72 and name HG12 or resid 74 and name HD2# ) 3.2 1.4 0.6 volume=1.072 peak=2 ppm1=7.047 ppm2=0.790 assign ( resid 96 and name HD2# ) ( resid 86 and name HB# or resid 96 and name HB2 ) 2.6 0.8 0.5 volume=3.763 peak=16 ppm1=0.685 ppm2=1.071 assign ( resid 86 and name HB# ) ( resid 79 and name HB1 or resid 79 and name HB2 or resid 85 and name HB2 ) 3.7 1.9 0.7 volume=0.388 peak=19 ppm1=1.069 ppm2=1.792 assign ( resid 77 and name HN ) ( resid 74 and name HB2 or resid 80 and name HB2 or resid 80 and name HB1 ) 3.5 1.7 0.7 volume=0.580 peak=23 ppm1=7.293 ppm2=1.730 assign ( resid 80 and name HE1 or resid 95 and name HE2 ) ( resid 80 and name HA ) 3.3 1.5 0.7 volume=0.782 peak=38 ppm1=2.822 ppm2=3.925 assign ( resid 103 and name HD2# ) ( resid 88 and name HB1 or resid 97 and name HB1 ) 3.0 1.2 0.6 volume=1.376 peak=6 ppm1=0.876 ppm2=2.650 assign ( resid 107 and name HB1 ) ( resid 107 and name HE22 or resid 108 and name HN ) 3.9 2.1 0.8 volume=0.323 peak=39 ppm1=2.054 ppm2=6.924 assign ( resid 60 and name HB1 ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 4.5 2.7 0.9 volume=0.125 peak=28 ppm1=2.842 ppm2=0.577 assign ( resid 103 and name HD2# ) ( resid 88 and name HE1 or resid 88 and name HE2 or resid 97 and name HE1 or resid 97 and name HE2 ) 3.6 1.8 0.7 volume=0.486 peak=15 ppm1=0.876 ppm2=6.673 assign ( resid 85 and name HG1 ) ( resid 80 and name HG1 or resid 87 and name HB2 or resid 87 and name HB1 ) 3.7 1.9 0.7 volume=0.403 peak=9 ppm1=2.121 ppm2=1.358 assign ( resid 103 and name HD1# ) ( resid 88 and name HB1 or resid 97 and name HB1 ) 2.8 1.0 0.6 volume=2.054 peak=40 ppm1=0.807 ppm2=2.649 assign ( resid 76 and name HD22 ) ( resid 72 and name HG11 or resid 77 and name HD2# or resid 77 and name HD1# or resid 96 and name HD2# ) 3.8 2.0 0.8 volume=0.342 peak=43 ppm1=6.597 ppm2=0.725 assign ( resid 96 and name HD2# ) ( resid 86 and name HA or resid 94 and name HA2 ) 4.7 2.9 0.9 volume=0.104 peak=42 ppm1=0.681 ppm2=4.129 assign ( resid 75 and name HD2# ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 2.8 1.0 0.6 volume=2.042 peak=4 ppm1=0.843 ppm2=0.575 assign ( resid 76 and name HD21 ) ( resid 72 and name HG12 or resid 75 and name HD2# ) 4.2 2.4 0.8 volume=0.196 peak=13 ppm1=7.307 ppm2=0.831 assign ( resid 77 and name HD1# ) ( resid 78 and name HB1 or resid 80 and name HE1 or resid 80 and name HE2 ) 3.2 1.4 0.6 volume=0.920 peak=33 ppm1=0.714 ppm2=2.821 assign ( resid 76 and name HD21 ) ( resid 72 and name HG2# or resid 72 and name HD1# or resid 96 and name HD1# ) 3.4 1.6 0.7 volume=0.652 peak=31 ppm1=7.309 ppm2=0.582 assign ( resid 76 and name HD22 ) ( resid 72 and name HG2# or resid 72 and name HD1# or resid 96 and name HD1# ) 3.3 1.5 0.7 volume=0.760 peak=5 ppm1=6.589 ppm2=0.574 assign ( resid 73 and name HN ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 3.6 1.8 0.7 volume=0.495 peak=10 ppm1=7.960 ppm2=0.586 assign ( resid 95 and name HB2 ) ( resid 95 and name HG1 or resid 96 and name HB2 ) 2.9 1.1 0.6 volume=1.639 peak=27 ppm1=1.187 ppm2=1.035 assign ( resid 76 and name HD21 ) ( resid 72 and name HG11 or resid 77 and name HD2# or resid 77 and name HD1# or resid 96 and name HD2# ) 3.9 2.1 0.8 volume=0.301 peak=25 ppm1=7.303 ppm2=0.724 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 4.3 2.5 0.9 volume=0.161 peak=12 ppm1=2.557 ppm2=0.574 assign ( resid 94 and name HN ) ( resid 95 and name HD2 or resid 95 and name HG2 ) 4.0 2.2 0.8 volume=0.276 peak=22 ppm1=8.296 ppm2=1.424 assign ( resid 103 and name HA ) ( resid 88 and name HB1 or resid 97 and name HB1 ) 3.4 1.6 0.7 volume=0.639 peak=17 ppm1=3.031 ppm2=2.648 assign ( resid 76 and name HD22 ) ( resid 73 and name HA or resid 77 and name HA ) 4.2 2.4 0.8 volume=0.205 peak=1 ppm1=6.598 ppm2=3.906 assign ( resid 86 and name HA ) ( resid 79 and name HB1 or resid 79 and name HB2 or resid 85 and name HB1 or resid 85 and name HB2 ) 3.8 2.0 0.8 volume=0.337 peak=20 ppm1=4.099 ppm2=1.820 assign ( resid 60 and name HD1 or resid 60 and name HD2 ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 3.2 1.4 0.6 volume=0.958 peak=18 ppm1=6.834 ppm2=0.567 assign ( resid 86 and name HA ) ( resid 79 and name HE2 or resid 87 and name HD1 ) 4.0 2.2 0.8 volume=0.246 peak=24 ppm1=4.105 ppm2=2.926 assign ( resid 96 and name HD1# ) ( resid 86 and name HB# or resid 96 and name HB2 ) 2.6 0.8 0.5 volume=3.780 peak=37 ppm1=0.564 ppm2=1.070 assign ( resid 76 and name HD21 ) ( resid 73 and name HA or resid 77 and name HA ) 3.9 2.1 0.8 volume=0.320 peak=26 ppm1=7.296 ppm2=3.912 assign ( resid 107 and name HB2 ) ( resid 107 and name HE22 or resid 108 and name HN ) 3.9 2.1 0.8 volume=0.286 peak=30 ppm1=2.127 ppm2=6.926 assign ( resid 85 and name HG2 ) ( resid 80 and name HG1 or resid 87 and name HB2 or resid 87 and name HB1 ) 3.9 2.1 0.8 volume=0.323 peak=32 ppm1=2.075 ppm2=1.359 assign ( resid 60 and name HE1 or resid 60 and name HE2 ) ( resid 72 and name HG2# or resid 72 and name HD1# ) 3.0 1.2 0.6 volume=1.550 peak=29 ppm1=6.756 ppm2=0.568 assign ( resid 86 and name HB# ) ( resid 79 and name HE2 or resid 87 and name HD1 or resid 89 and name HD2 or resid 89 and name HD1 ) 4.0 2.2 0.8 volume=0.276 peak=21 ppm1=1.070 ppm2=2.946 assign ( resid 82 and name HB2 ) ( resid 79 and name HA ) 4.0 2.2 0.8 volume=0.248 peak=2268 ppm1=3.136 ppm2=3.454 assign ( resid 59 and name HD2 ) ( resid 59 and name HB1 ) 4.0 2.2 0.8 volume=0.265 peak=1913 ppm1=3.433 ppm2=0.920 assign ( resid 87 and name HG2 ) ( resid 87 and name HD1 ) 3.3 1.5 0.7 volume=0.903 peak=2319 ppm1=1.201 ppm2=2.932 assign ( resid 105 and name HN ) ( resid 105 and name HG1 ) 2.9 1.1 0.6 volume=1.746 peak=579 ppm1=7.548 ppm2=1.456 assign ( resid 98 and name HG2# ) ( resid 84 and name HN ) 4.6 2.8 0.9 volume=0.117 peak=1703 ppm1=1.135 ppm2=8.263 assign ( resid 87 and name HD2 ) ( resid 87 and name HN ) 4.2 2.4 0.8 volume=0.201 peak=2312 ppm1=2.852 ppm2=7.709 assign ( resid 105 and name HG2 ) ( resid 105 and name HN ) 3.5 1.7 0.7 volume=0.635 peak=1463 ppm1=1.572 ppm2=7.550 assign ( resid 106 and name HB1 ) ( resid 103 and name HD1# ) 3.8 2.0 0.8 volume=0.330 peak=1279 ppm1=2.584 ppm2=0.811 assign ( resid 98 and name HG2# ) ( resid 98 and name HA ) 4.2 2.4 0.8 volume=0.193 peak=2050 ppm1=1.128 ppm2=4.479 assign ( resid 74 and name HB1 ) ( resid 74 and name HN ) 4.3 2.5 0.9 volume=0.178 peak=1336 ppm1=1.284 ppm2=6.406 assign ( resid 108 and name HG ) ( resid 108 and name HA ) 3.5 1.7 0.7 volume=0.543 peak=930 ppm1=1.685 ppm2=3.972 assign ( resid 95 and name HG2 ) ( resid 95 and name HA ) 3.2 1.4 0.6 volume=1.009 peak=2201 ppm1=1.428 ppm2=3.840 assign ( resid 96 and name HG ) ( resid 96 and name HD2# ) 2.6 0.8 0.5 volume=3.477 peak=1560 ppm1=1.422 ppm2=0.700 assign ( resid 71 and name HD1# ) ( resid 71 and name HA ) 3.8 2.0 0.8 volume=0.383 peak=2041 ppm1=0.918 ppm2=4.872 assign ( resid 88 and name HB1 ) ( resid 103 and name HD2# ) 3.1 1.3 0.6 volume=1.118 peak=2342 ppm1=2.631 ppm2=0.873 assign ( resid 103 and name HD1# ) ( resid 107 and name HN ) 3.7 1.9 0.7 volume=0.398 peak=2016 ppm1=0.808 ppm2=8.029 assign ( resid 71 and name HN ) ( resid 71 and name HG ) 3.4 1.6 0.7 volume=0.731 peak=618 ppm1=6.743 ppm2=1.493 assign ( resid 87 and name HN ) ( resid 98 and name HA ) 3.4 1.6 0.7 volume=0.753 peak=2345 ppm1=7.709 ppm2=4.461 assign ( resid 89 and name HN ) ( resid 88 and name HA ) 2.5 0.7 0.5 volume=4.282 peak=151 ppm1=8.392 ppm2=4.444 assign ( resid 74 and name HD1# ) ( resid 69 and name HB1 ) 4.5 2.7 0.9 volume=0.132 peak=2185 ppm1=1.040 ppm2=2.520 assign ( resid 112 and name HN ) ( resid 108 and name HA ) 3.7 1.9 0.7 volume=0.436 peak=351 ppm1=7.866 ppm2=3.960 assign ( resid 72 and name HG2# ) ( resid 72 and name HB ) 2.6 0.8 0.5 volume=3.677 peak=1586 ppm1=0.583 ppm2=0.876 assign ( resid 72 and name HG2# ) ( resid 76 and name HN ) 3.3 1.5 0.7 volume=0.865 peak=1729 ppm1=0.584 ppm2=8.457 assign ( resid 70 and name HG2 or resid 70 and name HG1 ) ( resid 71 and name HD2# ) 3.3 1.5 0.7 volume=0.821 peak=1115 ppm1=1.674 ppm2=0.800 assign ( resid 69 and name HB2 ) ( resid 75 and name HD1# ) 4.5 2.7 0.9 volume=0.137 peak=1158 ppm1=3.054 ppm2=0.897 assign ( resid 106 and name HA ) ( resid 108 and name HN ) 4.1 2.3 0.8 volume=0.234 peak=1132 ppm1=4.048 ppm2=6.917 assign ( resid 103 and name HD1# ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 3.0 1.2 0.6 volume=1.360 peak=1319 ppm1=0.808 ppm2=7.097 assign ( resid 61 and name HN ) ( resid 60 and name HN ) 3.7 1.9 0.7 volume=0.416 peak=790 ppm1=8.405 ppm2=7.685 assign ( resid 110 and name HB2 ) ( resid 110 and name HE1 ) 4.2 2.4 0.8 volume=0.208 peak=1428 ppm1=3.030 ppm2=7.843 assign ( resid 87 and name HG2 ) ( resid 87 and name HN ) 3.7 1.9 0.7 volume=0.394 peak=2298 ppm1=1.202 ppm2=7.710 assign ( resid 85 and name HG1 ) ( resid 85 and name HA ) 3.5 1.7 0.7 volume=0.606 peak=2291 ppm1=2.129 ppm2=4.076 assign ( resid 90 and name HN ) ( resid 89 and name HB1 ) 3.6 1.8 0.7 volume=0.503 peak=664 ppm1=9.143 ppm2=1.596 assign ( resid 77 and name HA ) ( resid 79 and name HN ) 3.9 2.1 0.8 volume=0.289 peak=2023 ppm1=3.918 ppm2=8.419 assign ( resid 106 and name HA ) ( resid 109 and name HN ) 3.9 2.1 0.8 volume=0.295 peak=1344 ppm1=4.048 ppm2=7.832 assign ( resid 61 and name HA2 ) ( resid 62 and name HN ) 3.9 2.1 0.8 volume=0.326 peak=2283 ppm1=3.419 ppm2=8.879 assign ( resid 111 and name HN ) ( resid 110 and name HA ) 3.6 1.8 0.7 volume=0.492 peak=131 ppm1=7.587 ppm2=4.739 assign ( resid 69 and name HB1 ) ( resid 75 and name HB1 ) 4.1 2.3 0.8 volume=0.229 peak=1776 ppm1=2.516 ppm2=1.853 assign ( resid 68 and name HB2 ) ( resid 68 and name HA ) 4.2 2.4 0.8 volume=0.190 peak=1448 ppm1=3.345 ppm2=5.131 assign ( resid 109 and name HG2# ) ( resid 110 and name HN ) 3.6 1.8 0.7 volume=0.516 peak=1630 ppm1=0.486 ppm2=7.120 assign ( resid 75 and name HB1 ) ( resid 75 and name HN ) 3.8 2.0 0.8 volume=0.352 peak=879 ppm1=1.854 ppm2=7.057 assign ( resid 59 and name HB1 ) ( resid 59 and name HD2 ) 4.1 2.3 0.8 volume=0.214 peak=2259 ppm1=0.915 ppm2=3.429 assign ( resid 86 and name HB# ) ( resid 80 and name HD2 or resid 80 and name HD1 ) 3.4 1.6 0.7 volume=0.649 peak=1116 ppm1=1.068 ppm2=1.526 assign ( resid 91 and name HB1 ) ( resid 91 and name HG2 ) 2.5 0.7 0.5 volume=4.140 peak=1211 ppm1=1.890 ppm2=2.223 assign ( resid 71 and name HA ) ( resid 72 and name HN ) 4.5 2.7 0.9 volume=0.136 peak=2164 ppm1=4.873 ppm2=8.462 assign ( resid 86 and name HB# ) ( resid 80 and name HA ) 3.8 2.0 0.8 volume=0.376 peak=2296 ppm1=1.070 ppm2=3.932 assign ( resid 59 and name HA ) ( resid 59 and name HB2 ) 3.2 1.4 0.6 volume=0.964 peak=1036 ppm1=4.064 ppm2=0.976 assign ( resid 106 and name HA ) ( resid 106 and name HB2 ) 3.1 1.3 0.6 volume=1.209 peak=1911 ppm1=4.048 ppm2=2.822 assign ( resid 107 and name HE22 ) ( resid 90 and name HA ) 4.0 2.2 0.8 volume=0.244 peak=370 ppm1=6.928 ppm2=4.425 assign ( resid 72 and name HG12 ) ( resid 72 and name HG11 ) 2.8 1.0 0.6 volume=2.299 peak=1547 ppm1=0.786 ppm2=0.703 assign ( resid 103 and name HD1# ) ( resid 88 and name HN ) 4.0 2.2 0.8 volume=0.253 peak=2353 ppm1=0.808 ppm2=8.313 assign ( resid 107 and name HN ) ( resid 108 and name HB2 ) 3.5 1.7 0.7 volume=0.628 peak=555 ppm1=8.022 ppm2=1.346 assign ( resid 85 and name HG2 ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 4.0 2.2 0.8 volume=0.245 peak=2260 ppm1=2.078 ppm2=2.829 assign ( resid 93 and name HB2 ) ( resid 93 and name HB1 ) 2.6 0.8 0.5 volume=3.791 peak=1836 ppm1=2.747 ppm2=3.285 assign ( resid 66 and name HA2 ) ( resid 67 and name HN ) 3.1 1.3 0.6 volume=1.211 peak=2234 ppm1=3.677 ppm2=7.831 assign ( resid 110 and name HB1 ) ( resid 110 and name HD2 ) 3.5 1.7 0.7 volume=0.576 peak=1217 ppm1=3.136 ppm2=6.606 assign ( resid 79 and name HA ) ( resid 81 and name HN ) 4.2 2.4 0.8 volume=0.195 peak=2125 ppm1=3.488 ppm2=7.630 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 76 and name HD21 ) 3.6 1.8 0.7 volume=0.526 peak=1769 ppm1=2.572 ppm2=7.314 assign ( resid 102 and name HB1 ) ( resid 103 and name HN ) 3.9 2.1 0.8 volume=0.325 peak=1953 ppm1=2.812 ppm2=7.223 assign ( resid 88 and name HN ) ( resid 88 and name HB2 ) 3.1 1.3 0.6 volume=1.302 peak=2384 ppm1=8.305 ppm2=2.760 assign ( resid 89 and name HA ) ( resid 96 and name HD1# ) 3.9 2.1 0.8 volume=0.328 peak=2169 ppm1=4.864 ppm2=0.563 assign ( resid 63 and name HB2 ) ( resid 63 and name HN ) 4.6 2.8 0.9 volume=0.119 peak=1903 ppm1=1.944 ppm2=9.632 assign ( resid 104 and name HN ) ( resid 107 and name HG1 ) 3.5 1.7 0.7 volume=0.560 peak=511 ppm1=8.127 ppm2=2.661 assign ( resid 87 and name HG2 ) ( resid 88 and name HN ) 4.2 2.4 0.8 volume=0.199 peak=2318 ppm1=1.201 ppm2=8.299 assign ( resid 109 and name HN ) ( resid 107 and name HN ) 3.2 1.4 0.6 volume=0.993 peak=560 ppm1=7.810 ppm2=8.023 assign ( resid 107 and name HN ) ( resid 107 and name HA ) 2.9 1.1 0.6 volume=1.792 peak=404 ppm1=8.027 ppm2=3.450 assign ( resid 70 and name HN ) ( resid 69 and name HB2 ) 4.4 2.6 0.9 volume=0.145 peak=204 ppm1=9.260 ppm2=3.062 assign ( resid 91 and name HB2 ) ( resid 91 and name HG1 ) 2.3 0.5 0.5 volume=6.554 peak=2233 ppm1=1.998 ppm2=2.261 assign ( resid 109 and name HG2# ) ( resid 106 and name HA ) 3.8 2.0 0.8 volume=0.351 peak=1692 ppm1=0.483 ppm2=4.030 assign ( resid 106 and name HB2 ) ( resid 106 and name HD2 ) 3.4 1.6 0.7 volume=0.711 peak=1699 ppm1=2.820 ppm2=6.680 assign ( resid 72 and name HA ) ( resid 72 and name HB ) 3.0 1.2 0.6 volume=1.406 peak=1274 ppm1=3.157 ppm2=0.878 assign ( resid 72 and name HA ) ( resid 71 and name HB2 ) 4.2 2.4 0.8 volume=0.183 peak=1264 ppm1=3.162 ppm2=1.656 assign ( resid 63 and name HG1 ) ( resid 63 and name HA ) 3.1 1.3 0.6 volume=1.265 peak=2080 ppm1=2.260 ppm2=4.011 assign ( resid 78 and name HA ) ( resid 79 and name HN ) 3.3 1.5 0.7 volume=0.761 peak=1757 ppm1=3.988 ppm2=8.417 assign ( resid 108 and name HG ) ( resid 108 and name HD1# ) 2.9 1.1 0.6 volume=1.913 peak=1960 ppm1=1.685 ppm2=0.723 assign ( resid 107 and name HA ) ( resid 107 and name HB2 ) 3.2 1.4 0.6 volume=1.098 peak=1846 ppm1=3.455 ppm2=2.120 assign ( resid 103 and name HN ) ( resid 105 and name HN ) 3.7 1.9 0.7 volume=0.441 peak=346 ppm1=7.216 ppm2=7.525 assign ( resid 75 and name HD1# ) ( resid 79 and name HB2 or resid 79 and name HB1 ) 2.9 1.1 0.6 volume=1.758 peak=1267 ppm1=0.892 ppm2=1.814 assign ( resid 86 and name HN ) ( resid 85 and name HA ) 2.6 0.8 0.5 volume=3.430 peak=146 ppm1=8.201 ppm2=4.088 assign ( resid 101 and name HA1 ) ( resid 101 and name HN ) 4.3 2.5 0.9 volume=0.176 peak=1821 ppm1=3.664 ppm2=8.366 assign ( resid 60 and name HD1 or resid 60 and name HD2 ) ( resid 60 and name HN ) 3.2 1.4 0.6 volume=0.949 peak=30 ppm1=6.834 ppm2=7.700 assign ( resid 97 and name HZ ) ( resid 95 and name HB2 ) 3.6 1.8 0.7 volume=0.502 peak=94 ppm1=5.915 ppm2=1.201 assign ( resid 74 and name HB1 ) ( resid 74 and name HB2 ) 3.4 1.6 0.7 volume=0.750 peak=1992 ppm1=1.280 ppm2=1.736 assign ( resid 95 and name HB2 ) ( resid 95 and name HE2 or resid 95 and name HE1 ) 3.6 1.8 0.7 volume=0.455 peak=1144 ppm1=1.193 ppm2=2.820 assign ( resid 74 and name HD2# ) ( resid 78 and name HN ) 4.2 2.4 0.8 volume=0.190 peak=1436 ppm1=0.770 ppm2=7.465 assign ( resid 85 and name HA ) ( resid 85 and name HN ) 3.6 1.8 0.7 volume=0.471 peak=2036 ppm1=4.088 ppm2=7.944 assign ( resid 105 and name HA ) ( resid 108 and name HN ) 3.9 2.1 0.8 volume=0.307 peak=1188 ppm1=3.843 ppm2=6.921 assign ( resid 77 and name HD2# ) ( resid 77 and name HA ) 3.0 1.2 0.6 volume=1.383 peak=1698 ppm1=0.735 ppm2=3.902 assign ( resid 88 and name HE1 or resid 88 and name HE2 ) ( resid 100 and name HA ) 3.4 1.6 0.7 volume=0.746 peak=8 ppm1=6.669 ppm2=3.202 assign ( resid 99 and name HG2# ) ( resid 102 and name HD21 ) 4.0 2.2 0.8 volume=0.259 peak=1282 ppm1=1.080 ppm2=6.800 assign ( resid 60 and name HB2 ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.2 1.4 0.6 volume=1.079 peak=1225 ppm1=2.619 ppm2=6.824 assign ( resid 100 and name HN ) ( resid 100 and name HA ) 3.2 1.4 0.6 volume=1.068 peak=665 ppm1=8.334 ppm2=3.210 assign ( resid 104 and name HN ) ( resid 103 and name HG ) 2.9 1.1 0.6 volume=1.932 peak=264 ppm1=8.128 ppm2=1.325 assign ( resid 66 and name HN ) ( resid 67 and name HN ) 3.0 1.2 0.6 volume=1.391 peak=354 ppm1=8.127 ppm2=7.829 assign ( resid 79 and name HA ) ( resid 79 and name HN ) 3.7 1.9 0.7 volume=0.405 peak=1377 ppm1=3.478 ppm2=8.412 assign ( resid 74 and name HN ) ( resid 72 and name HN ) 3.6 1.8 0.7 volume=0.481 peak=218 ppm1=6.396 ppm2=8.445 assign ( resid 108 and name HB2 ) ( resid 108 and name HA ) 3.4 1.6 0.7 volume=0.729 peak=1272 ppm1=1.353 ppm2=3.961 assign ( resid 101 and name HA1 ) ( resid 104 and name HB2 ) 3.3 1.5 0.7 volume=0.836 peak=1324 ppm1=3.662 ppm2=1.675 assign ( resid 104 and name HA ) ( resid 107 and name HB2 ) 3.2 1.4 0.6 volume=1.045 peak=1984 ppm1=3.914 ppm2=2.136 assign ( resid 67 and name HN ) ( resid 66 and name HA1 ) 3.5 1.7 0.7 volume=0.547 peak=592 ppm1=7.821 ppm2=4.091 assign ( resid 103 and name HB1 ) ( resid 88 and name HB1 ) 3.8 2.0 0.8 volume=0.359 peak=2383 ppm1=1.131 ppm2=2.654 assign ( resid 78 and name HD2 ) ( resid 79 and name HB2 or resid 79 and name HB1 ) 3.4 1.6 0.7 volume=0.739 peak=102 ppm1=6.724 ppm2=1.809 assign ( resid 76 and name HN ) ( resid 74 and name HN ) 4.0 2.2 0.8 volume=0.268 peak=394 ppm1=8.458 ppm2=6.399 assign ( resid 74 and name HN ) ( resid 74 and name HA ) 3.2 1.4 0.6 volume=0.966 peak=662 ppm1=6.394 ppm2=3.942 assign ( resid 96 and name HB1 ) ( resid 96 and name HG ) 3.3 1.5 0.7 volume=0.888 peak=1653 ppm1=1.310 ppm2=1.426 assign ( resid 97 and name HB2 ) ( resid 103 and name HD1# ) 3.8 2.0 0.8 volume=0.334 peak=1110 ppm1=3.116 ppm2=0.823 assign ( resid 107 and name HB2 ) ( resid 104 and name HA ) 3.8 2.0 0.8 volume=0.354 peak=1443 ppm1=2.123 ppm2=3.919 assign ( resid 78 and name HB1 ) ( resid 78 and name HA ) 3.6 1.8 0.7 volume=0.527 peak=1642 ppm1=2.856 ppm2=3.993 assign ( resid 60 and name HB2 ) ( resid 75 and name HB1 ) 4.0 2.2 0.8 volume=0.260 peak=1142 ppm1=2.625 ppm2=1.851 assign ( resid 92 and name HN ) ( resid 91 and name HG1 ) 3.3 1.5 0.7 volume=0.830 peak=255 ppm1=8.369 ppm2=2.272 assign ( resid 104 and name HB1 or resid 104 and name HB2 ) ( resid 104 and name HG1 ) 2.6 0.8 0.5 volume=3.768 peak=1170 ppm1=1.678 ppm2=1.268 assign ( resid 75 and name HB2 ) ( resid 75 and name HB1 ) 3.7 1.9 0.7 volume=0.410 peak=2284 ppm1=1.260 ppm2=1.850 assign ( resid 71 and name HN ) ( resid 71 and name HD1# ) 3.4 1.6 0.7 volume=0.697 peak=804 ppm1=6.744 ppm2=0.937 assign ( resid 72 and name HB ) ( resid 72 and name HG11 ) 3.0 1.2 0.6 volume=1.461 peak=2051 ppm1=0.879 ppm2=0.718 assign ( resid 103 and name HD2# ) ( resid 100 and name HB1 ) 4.2 2.4 0.8 volume=0.208 peak=1762 ppm1=0.876 ppm2=3.367 assign ( resid 75 and name HD2# ) ( resid 69 and name HB2 ) 3.6 1.8 0.7 volume=0.500 peak=2202 ppm1=0.850 ppm2=3.076 assign ( resid 109 and name HN ) ( resid 109 and name HB ) 2.8 1.0 0.6 volume=2.348 peak=224 ppm1=7.806 ppm2=1.775 assign ( resid 67 and name HB2 or resid 67 and name HB1 ) ( resid 67 and name HN ) 3.3 1.5 0.7 volume=0.848 peak=1972 ppm1=1.216 ppm2=7.829 assign ( resid 89 and name HB2 ) ( resid 89 and name HD2 ) 3.5 1.7 0.7 volume=0.538 peak=1537 ppm1=1.288 ppm2=2.929 assign ( resid 101 and name HA1 ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 3.4 1.6 0.7 volume=0.652 peak=2191 ppm1=3.567 ppm2=1.675 assign ( resid 109 and name HN ) ( resid 108 and name HD1# ) 3.6 1.8 0.7 volume=0.458 peak=289 ppm1=7.806 ppm2=0.724 assign ( resid 109 and name HN ) ( resid 108 and name HB2 ) 3.2 1.4 0.6 volume=1.006 peak=477 ppm1=7.807 ppm2=1.356 assign ( resid 71 and name HB1 ) ( resid 71 and name HB2 ) 4.5 2.7 0.9 volume=0.132 peak=1958 ppm1=1.343 ppm2=1.651 assign ( resid 65 and name HB2 ) ( resid 64 and name HG1 ) 4.2 2.4 0.8 volume=0.190 peak=1205 ppm1=3.290 ppm2=1.623 assign ( resid 74 and name HD2# ) ( resid 71 and name HN ) 3.6 1.8 0.7 volume=0.510 peak=1248 ppm1=0.770 ppm2=6.724 assign ( resid 82 and name HB2 ) ( resid 82 and name HN ) 3.4 1.6 0.7 volume=0.720 peak=1905 ppm1=3.150 ppm2=7.138 assign ( resid 90 and name HN ) ( resid 89 and name HA ) 2.6 0.8 0.5 volume=3.201 peak=519 ppm1=9.125 ppm2=4.850 assign ( resid 111 and name HN ) ( resid 109 and name HA ) 3.0 1.2 0.6 volume=1.565 peak=791 ppm1=7.582 ppm2=3.757 assign ( resid 74 and name HB2 ) ( resid 74 and name HD1# ) 3.5 1.7 0.7 volume=0.618 peak=1174 ppm1=1.751 ppm2=1.050 assign ( resid 69 and name HN ) ( resid 60 and name HN ) 3.4 1.6 0.7 volume=0.640 peak=260 ppm1=8.412 ppm2=7.686 assign ( resid 71 and name HD1# ) ( resid 71 and name HN ) 3.4 1.6 0.7 volume=0.718 peak=1522 ppm1=0.912 ppm2=6.750 assign ( resid 75 and name HD1# ) ( resid 62 and name HN ) 4.1 2.3 0.8 volume=0.239 peak=1033 ppm1=0.888 ppm2=8.879 assign ( resid 107 and name HN ) ( resid 106 and name HB2 ) 2.9 1.1 0.6 volume=1.903 peak=116 ppm1=8.026 ppm2=2.824 assign ( resid 89 and name HB1 ) ( resid 89 and name HD2 ) 3.4 1.6 0.7 volume=0.657 peak=1346 ppm1=1.606 ppm2=2.930 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 75 and name HD1# ) 2.8 1.0 0.6 volume=2.314 peak=101 ppm1=6.905 ppm2=0.882 assign ( resid 96 and name HB1 ) ( resid 96 and name HN ) 3.3 1.5 0.7 volume=0.796 peak=1011 ppm1=1.316 ppm2=7.584 assign ( resid 97 and name HZ ) ( resid 95 and name HG1 ) 3.9 2.1 0.8 volume=0.284 peak=47 ppm1=5.907 ppm2=1.033 assign ( resid 74 and name HA ) ( resid 74 and name HN ) 3.8 2.0 0.8 volume=0.342 peak=1362 ppm1=3.933 ppm2=6.406 assign ( resid 75 and name HB1 ) ( resid 76 and name HN ) 4.0 2.2 0.8 volume=0.265 peak=1387 ppm1=1.857 ppm2=8.442 assign ( resid 89 and name HN ) ( resid 89 and name HD2 ) 3.6 1.8 0.7 volume=0.531 peak=273 ppm1=8.390 ppm2=2.934 assign ( resid 80 and name HA ) ( resid 80 and name HG1 ) 2.7 0.9 0.5 volume=2.989 peak=1101 ppm1=3.924 ppm2=1.349 assign ( resid 97 and name HB1 ) ( resid 97 and name HB2 ) 3.7 1.9 0.7 volume=0.387 peak=1254 ppm1=2.661 ppm2=3.121 assign ( resid 78 and name HN ) ( resid 77 and name HD1# ) 3.6 1.8 0.7 volume=0.535 peak=175 ppm1=7.445 ppm2=0.731 assign ( resid 104 and name HA ) ( resid 104 and name HG1 ) 3.0 1.2 0.6 volume=1.534 peak=1192 ppm1=3.915 ppm2=1.268 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 74 and name HD1# ) 3.1 1.3 0.6 volume=1.121 peak=31 ppm1=6.906 ppm2=1.053 assign ( resid 109 and name HA ) ( resid 108 and name HB2 ) 3.8 2.0 0.8 volume=0.344 peak=1853 ppm1=3.780 ppm2=1.353 assign ( resid 95 and name HB2 ) ( resid 95 and name HB1 ) 2.4 0.6 0.5 volume=6.047 peak=1119 ppm1=1.194 ppm2=1.266 assign ( resid 90 and name HN ) ( resid 89 and name HB2 ) 3.2 1.4 0.6 volume=1.096 peak=217 ppm1=9.117 ppm2=1.304 assign ( resid 74 and name HD2# ) ( resid 74 and name HB2 ) 3.0 1.2 0.6 volume=1.454 peak=1508 ppm1=0.763 ppm2=1.748 assign ( resid 103 and name HD1# ) ( resid 103 and name HA ) 2.9 1.1 0.6 volume=1.740 peak=2084 ppm1=0.809 ppm2=3.027 assign ( resid 96 and name HN ) ( resid 96 and name HB2 ) 2.7 0.9 0.5 volume=2.584 peak=263 ppm1=7.583 ppm2=1.075 assign ( resid 90 and name HA ) ( resid 90 and name HN ) 5.1 3.3 0.9 volume=0.062 peak=1495 ppm1=4.432 ppm2=9.155 assign ( resid 109 and name HA ) ( resid 109 and name HG1# ) 3.0 1.2 0.6 volume=1.613 peak=1018 ppm1=3.775 ppm2=0.318 assign ( resid 74 and name HB2 ) ( resid 74 and name HN ) 4.1 2.3 0.8 volume=0.219 peak=1040 ppm1=1.751 ppm2=6.399 assign ( resid 96 and name HB2 ) ( resid 97 and name HN ) 4.0 2.2 0.8 volume=0.260 peak=1392 ppm1=1.054 ppm2=8.690 assign ( resid 99 and name HN ) ( resid 97 and name HB1 ) 2.8 1.0 0.6 volume=2.358 peak=318 ppm1=7.055 ppm2=2.676 assign ( resid 88 and name HE1 or resid 88 and name HE2 ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=0.988 peak=26 ppm1=6.668 ppm2=0.878 assign ( resid 60 and name HN ) ( resid 70 and name HA ) 3.5 1.7 0.7 volume=0.561 peak=632 ppm1=7.708 ppm2=4.314 assign ( resid 74 and name HD2# ) ( resid 69 and name HB2 ) 3.6 1.8 0.7 volume=0.461 peak=1213 ppm1=0.765 ppm2=3.058 assign ( resid 74 and name HB1 ) ( resid 74 and name HD1# ) 3.3 1.5 0.7 volume=0.813 peak=1262 ppm1=1.293 ppm2=1.049 assign ( resid 103 and name HD1# ) ( resid 90 and name HA ) 4.0 2.2 0.8 volume=0.271 peak=1787 ppm1=0.808 ppm2=4.426 assign ( resid 98 and name HB ) ( resid 98 and name HG2# ) 3.1 1.3 0.6 volume=1.260 peak=1816 ppm1=4.343 ppm2=1.128 assign ( resid 74 and name HD1# ) ( resid 71 and name HN ) 3.7 1.9 0.7 volume=0.432 peak=1589 ppm1=1.038 ppm2=6.732 assign ( resid 97 and name HB2 ) ( resid 103 and name HN ) 3.9 2.1 0.8 volume=0.318 peak=1708 ppm1=3.118 ppm2=7.204 assign ( resid 104 and name HB1 or resid 104 and name HB2 ) ( resid 105 and name HN ) 3.2 1.4 0.6 volume=0.930 peak=1123 ppm1=1.676 ppm2=7.549 assign ( resid 75 and name HA ) ( resid 75 and name HN ) 3.9 2.1 0.8 volume=0.296 peak=2171 ppm1=3.468 ppm2=7.046 assign ( resid 106 and name HN ) ( resid 108 and name HN ) 3.8 2.0 0.8 volume=0.353 peak=508 ppm1=7.301 ppm2=6.909 assign ( resid 87 and name HA ) ( resid 87 and name HD2 ) 3.6 1.8 0.7 volume=0.458 peak=2322 ppm1=4.187 ppm2=2.857 assign ( resid 76 and name HN ) ( resid 76 and name HA ) 2.9 1.1 0.6 volume=1.647 peak=459 ppm1=8.458 ppm2=4.202 assign ( resid 85 and name HB1 ) ( resid 85 and name HG2 ) 2.4 0.6 0.5 volume=5.304 peak=1395 ppm1=1.857 ppm2=2.081 assign ( resid 64 and name HN ) ( resid 63 and name HB1 ) 3.4 1.6 0.7 volume=0.758 peak=205 ppm1=8.557 ppm2=1.999 assign ( resid 103 and name HN ) ( resid 103 and name HB2 ) 2.8 1.0 0.6 volume=2.452 peak=814 ppm1=7.218 ppm2=1.824 assign ( resid 107 and name HB1 ) ( resid 107 and name HG1 ) 3.2 1.4 0.6 volume=1.037 peak=1689 ppm1=2.049 ppm2=2.640 assign ( resid 74 and name HA ) ( resid 77 and name HN ) 3.4 1.6 0.7 volume=0.654 peak=1580 ppm1=3.920 ppm2=7.291 assign ( resid 100 and name HB2 ) ( resid 88 and name HB2 ) 4.2 2.4 0.8 volume=0.189 peak=2306 ppm1=3.532 ppm2=2.775 assign ( resid 59 and name HA ) ( resid 59 and name HG2 ) 3.7 1.9 0.7 volume=0.420 peak=1160 ppm1=4.065 ppm2=1.576 assign ( resid 110 and name HN ) ( resid 110 and name HA ) 3.1 1.3 0.6 volume=1.300 peak=794 ppm1=7.117 ppm2=4.720 assign ( resid 107 and name HG2 ) ( resid 107 and name HB2 ) 3.5 1.7 0.7 volume=0.622 peak=1924 ppm1=2.697 ppm2=2.126 assign ( resid 110 and name HN ) ( resid 110 and name HB2 ) 2.8 1.0 0.6 volume=2.133 peak=347 ppm1=7.118 ppm2=3.002 assign ( resid 75 and name HB1 ) ( resid 75 and name HD2# ) 3.0 1.2 0.6 volume=1.451 peak=1442 ppm1=1.853 ppm2=0.847 assign ( resid 78 and name HN ) ( resid 79 and name HN ) 3.1 1.3 0.6 volume=1.139 peak=738 ppm1=7.446 ppm2=8.421 assign ( resid 103 and name HA ) ( resid 103 and name HN ) 3.5 1.7 0.7 volume=0.609 peak=1798 ppm1=3.031 ppm2=7.224 assign ( resid 78 and name HN ) ( resid 78 and name HB2 ) 2.8 1.0 0.6 volume=2.022 peak=493 ppm1=7.447 ppm2=3.199 assign ( resid 105 and name HG2 ) ( resid 106 and name HN ) 3.8 2.0 0.8 volume=0.373 peak=1980 ppm1=1.572 ppm2=7.307 assign ( resid 79 and name HN ) ( resid 77 and name HN ) 4.1 2.3 0.8 volume=0.220 peak=585 ppm1=8.419 ppm2=7.272 assign ( resid 69 and name HN ) ( resid 68 and name HA ) 3.0 1.2 0.6 volume=1.367 peak=737 ppm1=8.415 ppm2=5.105 assign ( resid 108 and name HN ) ( resid 107 and name HN ) 3.0 1.2 0.6 volume=1.346 peak=385 ppm1=6.917 ppm2=8.023 assign ( resid 79 and name HE2 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.4 1.6 0.7 volume=0.686 peak=1639 ppm1=2.956 ppm2=0.871 assign ( resid 95 and name HD1 ) ( resid 95 and name HG1 ) 2.8 1.0 0.6 volume=2.474 peak=1910 ppm1=1.344 ppm2=1.029 assign ( resid 88 and name HN ) ( resid 88 and name HA ) 3.0 1.2 0.6 volume=1.361 peak=2333 ppm1=8.308 ppm2=4.449 assign ( resid 105 and name HN ) ( resid 105 and name HA ) 2.6 0.8 0.5 volume=3.216 peak=570 ppm1=7.547 ppm2=3.854 assign ( resid 109 and name HG2# ) ( resid 108 and name HB2 ) 3.8 2.0 0.8 volume=0.330 peak=1880 ppm1=0.487 ppm2=1.358 assign ( resid 59 and name HD1 ) ( resid 60 and name HN ) 4.3 2.5 0.9 volume=0.165 peak=2073 ppm1=3.396 ppm2=7.703 assign ( resid 70 and name HN ) ( resid 74 and name HB1 ) 4.3 2.5 0.9 volume=0.182 peak=211 ppm1=9.249 ppm2=1.345 assign ( resid 90 and name HB1 ) ( resid 90 and name HB2 ) 2.8 1.0 0.6 volume=2.076 peak=1167 ppm1=3.262 ppm2=2.726 assign ( resid 68 and name HN ) ( resid 68 and name HB1 ) 3.4 1.6 0.7 volume=0.687 peak=799 ppm1=7.667 ppm2=3.491 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 103 and name HD1# ) 3.0 1.2 0.6 volume=1.542 peak=19 ppm1=6.683 ppm2=0.820 assign ( resid 85 and name HN ) ( resid 85 and name HG2 ) 3.2 1.4 0.6 volume=0.996 peak=661 ppm1=7.944 ppm2=2.089 assign ( resid 72 and name HG11 ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 4.2 2.4 0.8 volume=0.184 peak=1923 ppm1=0.702 ppm2=6.825 assign ( resid 87 and name HA ) ( resid 87 and name HB2 or resid 87 and name HB1 ) 2.9 1.1 0.6 volume=1.950 peak=2340 ppm1=4.186 ppm2=1.363 assign ( resid 89 and name HN ) ( resid 89 and name HB2 ) 2.9 1.1 0.6 volume=1.879 peak=324 ppm1=8.391 ppm2=1.294 assign ( resid 96 and name HD1# ) ( resid 87 and name HA ) 4.1 2.3 0.8 volume=0.212 peak=1400 ppm1=0.563 ppm2=4.167 assign ( resid 94 and name HA1 ) ( resid 94 and name HN ) 3.1 1.3 0.6 volume=1.113 peak=1601 ppm1=3.576 ppm2=8.299 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 95 and name HB1 ) 3.3 1.5 0.7 volume=0.870 peak=77 ppm1=6.680 ppm2=1.267 assign ( resid 66 and name HA1 ) ( resid 66 and name HN ) 3.5 1.7 0.7 volume=0.590 peak=2129 ppm1=4.095 ppm2=8.126 assign ( resid 100 and name HB1 ) ( resid 100 and name HB2 ) 2.7 0.9 0.5 volume=2.758 peak=1916 ppm1=3.370 ppm2=3.523 assign ( resid 98 and name HG2# ) ( resid 99 and name HN ) 4.6 2.8 0.9 volume=0.112 peak=1444 ppm1=1.128 ppm2=7.053 assign ( resid 85 and name HB2 ) ( resid 85 and name HG2 ) 2.4 0.6 0.5 volume=5.336 peak=989 ppm1=1.794 ppm2=2.085 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 97 and name HB2 ) 3.1 1.3 0.6 volume=1.109 peak=76 ppm1=7.102 ppm2=3.108 assign ( resid 94 and name HN ) ( resid 90 and name HN ) 3.9 2.1 0.8 volume=0.294 peak=736 ppm1=8.295 ppm2=9.123 assign ( resid 105 and name HN ) ( resid 105 and name HB2 or resid 105 and name HB1 ) 2.2 0.4 0.4 volume=9.238 peak=256 ppm1=7.547 ppm2=1.669 assign ( resid 87 and name HA ) ( resid 87 and name HG2 ) 3.5 1.7 0.7 volume=0.588 peak=2314 ppm1=4.184 ppm2=1.192 assign ( resid 106 and name HB2 ) ( resid 106 and name HB1 ) 3.0 1.2 0.6 volume=1.586 peak=1658 ppm1=2.811 ppm2=2.587 assign ( resid 67 and name HN ) ( resid 66 and name HN ) 3.4 1.6 0.7 volume=0.737 peak=673 ppm1=7.825 ppm2=8.103 assign ( resid 71 and name HN ) ( resid 74 and name HB2 ) 3.3 1.5 0.7 volume=0.857 peak=707 ppm1=6.745 ppm2=1.770 assign ( resid 105 and name HA ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 3.5 1.7 0.7 volume=0.561 peak=1340 ppm1=3.845 ppm2=3.054 assign ( resid 107 and name HE21 ) ( resid 103 and name HD1# ) 3.4 1.6 0.7 volume=0.744 peak=411 ppm1=7.493 ppm2=0.812 assign ( resid 89 and name HN ) ( resid 90 and name HN ) 3.8 2.0 0.8 volume=0.368 peak=225 ppm1=8.391 ppm2=9.118 assign ( resid 95 and name HE2 or resid 95 and name HE1 ) ( resid 95 and name HA ) 3.4 1.6 0.7 volume=0.722 peak=1403 ppm1=2.820 ppm2=3.844 assign ( resid 101 and name HA1 ) ( resid 99 and name HG2# ) 3.6 1.8 0.7 volume=0.477 peak=1384 ppm1=3.578 ppm2=1.096 assign ( resid 68 and name HB1 ) ( resid 69 and name HN ) 3.6 1.8 0.7 volume=0.509 peak=1541 ppm1=3.496 ppm2=8.414 assign ( resid 89 and name HA ) ( resid 97 and name HN ) 4.8 3.0 1.0 volume=0.087 peak=2066 ppm1=4.859 ppm2=8.714 assign ( resid 75 and name HN ) ( resid 74 and name HN ) 3.3 1.5 0.7 volume=0.870 peak=267 ppm1=7.048 ppm2=6.393 assign ( resid 100 and name HN ) ( resid 99 and name HG2# ) 3.2 1.4 0.6 volume=1.065 peak=542 ppm1=8.336 ppm2=1.082 assign ( resid 77 and name HN ) ( resid 76 and name HN ) 3.1 1.3 0.6 volume=1.207 peak=124 ppm1=7.291 ppm2=8.450 assign ( resid 109 and name HG1# ) ( resid 112 and name HA1 or resid 112 and name HA2 ) 4.7 2.9 0.9 volume=0.104 peak=1622 ppm1=0.307 ppm2=3.620 assign ( resid 92 and name HN ) ( resid 90 and name HN ) 4.1 2.3 0.8 volume=0.218 peak=687 ppm1=8.370 ppm2=9.110 assign ( resid 96 and name HG ) ( resid 96 and name HD1# ) 3.0 1.2 0.6 volume=1.406 peak=1943 ppm1=1.423 ppm2=0.562 assign ( resid 110 and name HB1 ) ( resid 110 and name HN ) 3.5 1.7 0.7 volume=0.559 peak=1745 ppm1=3.140 ppm2=7.126 assign ( resid 107 and name HB1 ) ( resid 107 and name HN ) 3.4 1.6 0.7 volume=0.717 peak=996 ppm1=2.053 ppm2=8.025 assign ( resid 89 and name HN ) ( resid 96 and name HD1# ) 3.4 1.6 0.7 volume=0.728 peak=378 ppm1=8.397 ppm2=0.564 assign ( resid 60 and name HE1 or resid 60 and name HE2 ) ( resid 72 and name HG11 ) 3.2 1.4 0.6 volume=1.006 peak=39 ppm1=6.756 ppm2=0.720 assign ( resid 75 and name HD2# ) ( resid 72 and name HA ) 3.5 1.7 0.7 volume=0.593 peak=1646 ppm1=0.849 ppm2=3.151 assign ( resid 59 and name HA ) ( resid 60 and name HN ) 3.5 1.7 0.7 volume=0.588 peak=2267 ppm1=4.065 ppm2=7.710 assign ( resid 89 and name HB1 ) ( resid 89 and name HB2 ) 2.7 0.9 0.5 volume=2.899 peak=1175 ppm1=1.598 ppm2=1.290 assign ( resid 87 and name HN ) ( resid 88 and name HN ) 2.9 1.1 0.6 volume=1.854 peak=2311 ppm1=7.707 ppm2=8.303 assign ( resid 71 and name HD2# ) ( resid 74 and name HN ) 3.7 1.9 0.7 volume=0.406 peak=1240 ppm1=0.809 ppm2=6.396 assign ( resid 76 and name HD21 ) ( resid 76 and name HB2 or resid 76 and name HB1 ) 3.1 1.3 0.6 volume=1.254 peak=715 ppm1=7.306 ppm2=2.565 assign ( resid 107 and name HB1 ) ( resid 107 and name HA ) 3.4 1.6 0.7 volume=0.708 peak=2081 ppm1=2.051 ppm2=3.449 assign ( resid 64 and name HG2 ) ( resid 64 and name HB1 ) 3.1 1.3 0.6 volume=1.262 peak=931 ppm1=1.760 ppm2=1.348 assign ( resid 77 and name HN ) ( resid 77 and name HD1# or resid 77 and name HD2# ) 3.0 1.2 0.6 volume=1.506 peak=474 ppm1=7.293 ppm2=0.730 assign ( resid 108 and name HA ) ( resid 108 and name HD1# ) 2.5 0.7 0.5 volume=4.665 peak=1489 ppm1=3.950 ppm2=0.728 assign ( resid 107 and name HA ) ( resid 107 and name HG1 ) 3.2 1.4 0.6 volume=1.006 peak=1013 ppm1=3.453 ppm2=2.644 assign ( resid 72 and name HG12 ) ( resid 72 and name HN ) 4.7 2.9 0.9 volume=0.103 peak=1719 ppm1=0.774 ppm2=8.444 assign ( resid 64 and name HN ) ( resid 62 and name HA ) 3.8 2.0 0.8 volume=0.365 peak=231 ppm1=8.559 ppm2=4.306 assign ( resid 80 and name HE2 or resid 80 and name HE1 ) ( resid 77 and name HD1# ) 3.1 1.3 0.6 volume=1.102 peak=2254 ppm1=2.817 ppm2=0.716 assign ( resid 110 and name HE1 ) ( resid 93 and name HB1 ) 3.0 1.2 0.6 volume=1.426 peak=45 ppm1=7.858 ppm2=3.286 assign ( resid 74 and name HN ) ( resid 71 and name HN ) 3.7 1.9 0.7 volume=0.434 peak=621 ppm1=6.392 ppm2=6.731 assign ( resid 72 and name HA ) ( resid 60 and name HB1 ) 4.1 2.3 0.8 volume=0.227 peak=1363 ppm1=3.160 ppm2=2.860 assign ( resid 100 and name HA ) ( resid 103 and name HD2# ) 3.5 1.7 0.7 volume=0.592 peak=1388 ppm1=3.213 ppm2=0.871 assign ( resid 88 and name HB2 ) ( resid 88 and name HE1 or resid 88 and name HE2 ) 3.8 2.0 0.8 volume=0.331 peak=2356 ppm1=2.752 ppm2=6.674 assign ( resid 103 and name HB1 ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=1.016 peak=2257 ppm1=1.131 ppm2=0.879 assign ( resid 88 and name HN ) ( resid 96 and name HA ) 3.8 2.0 0.8 volume=0.350 peak=2389 ppm1=8.308 ppm2=4.775 assign ( resid 80 and name HD2 or resid 80 and name HD1 ) ( resid 80 and name HE2 ) 2.4 0.6 0.5 volume=6.191 peak=1102 ppm1=1.526 ppm2=2.822 assign ( resid 103 and name HD2# ) ( resid 103 and name HB2 ) 3.0 1.2 0.6 volume=1.535 peak=2122 ppm1=0.876 ppm2=1.821 assign ( resid 75 and name HN ) ( resid 71 and name HB1 ) 3.4 1.6 0.7 volume=0.720 peak=834 ppm1=7.046 ppm2=1.377 assign ( resid 103 and name HD2# ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 3.3 1.5 0.7 volume=0.901 peak=1782 ppm1=0.876 ppm2=6.809 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 76 and name HD22 ) 4.0 2.2 0.8 volume=0.257 peak=1801 ppm1=2.571 ppm2=6.571 assign ( resid 69 and name HB1 ) ( resid 75 and name HN ) 4.4 2.6 0.9 volume=0.155 peak=2136 ppm1=2.512 ppm2=7.059 assign ( resid 65 and name HA ) ( resid 66 and name HN ) 4.4 2.6 0.9 volume=0.158 peak=1173 ppm1=5.000 ppm2=8.125 assign ( resid 109 and name HN ) ( resid 109 and name HA ) 2.7 0.9 0.5 volume=2.550 peak=314 ppm1=7.805 ppm2=3.775 assign ( resid 100 and name HA ) ( resid 100 and name HB2 ) 3.3 1.5 0.7 volume=0.796 peak=1137 ppm1=3.214 ppm2=3.524 assign ( resid 82 and name HN ) ( resid 79 and name HA ) 3.5 1.7 0.7 volume=0.558 peak=407 ppm1=7.134 ppm2=3.459 assign ( resid 111 and name HN ) ( resid 108 and name HA ) 3.3 1.5 0.7 volume=0.824 peak=702 ppm1=7.587 ppm2=3.955 assign ( resid 92 and name HN ) ( resid 93 and name HN ) 2.5 0.7 0.5 volume=3.934 peak=398 ppm1=8.367 ppm2=7.746 assign ( resid 100 and name HB1 ) ( resid 100 and name HN ) 4.2 2.4 0.8 volume=0.198 peak=1133 ppm1=3.369 ppm2=8.329 assign ( resid 72 and name HA ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 4.1 2.3 0.8 volume=0.241 peak=2028 ppm1=3.157 ppm2=6.835 assign ( resid 71 and name HN ) ( resid 70 and name HN ) 4.0 2.2 0.8 volume=0.274 peak=377 ppm1=6.745 ppm2=9.270 assign ( resid 89 and name HB2 ) ( resid 96 and name HD1# ) 3.3 1.5 0.7 volume=0.788 peak=1526 ppm1=1.289 ppm2=0.566 assign ( resid 103 and name HD1# ) ( resid 88 and name HA ) 4.1 2.3 0.8 volume=0.233 peak=1086 ppm1=0.809 ppm2=4.449 assign ( resid 104 and name HE2 or resid 104 and name HE1 ) ( resid 104 and name HN ) 4.0 2.2 0.8 volume=0.254 peak=1199 ppm1=2.777 ppm2=8.129 assign ( resid 100 and name HN ) ( resid 99 and name HA ) 2.8 1.0 0.6 volume=2.249 peak=338 ppm1=8.334 ppm2=4.479 assign ( resid 61 and name HN ) ( resid 60 and name HB2 ) 3.8 2.0 0.8 volume=0.341 peak=301 ppm1=8.402 ppm2=2.621 assign ( resid 75 and name HN ) ( resid 74 and name HA ) 3.8 2.0 0.8 volume=0.351 peak=492 ppm1=7.048 ppm2=3.944 assign ( resid 89 and name HD2 ) ( resid 96 and name HD1# ) 3.3 1.5 0.7 volume=0.792 peak=1770 ppm1=2.929 ppm2=0.564 assign ( resid 75 and name HN ) ( resid 76 and name HN ) 3.2 1.4 0.6 volume=1.097 peak=180 ppm1=7.051 ppm2=8.462 assign ( resid 93 and name HB1 ) ( resid 93 and name HN ) 3.6 1.8 0.7 volume=0.519 peak=2229 ppm1=3.284 ppm2=7.747 assign ( resid 82 and name HN ) ( resid 81 and name HB1 ) 3.3 1.5 0.7 volume=0.907 peak=583 ppm1=7.140 ppm2=1.382 assign ( resid 77 and name HA ) ( resid 77 and name HD1# ) 2.7 0.9 0.5 volume=2.906 peak=890 ppm1=3.907 ppm2=0.709 assign ( resid 82 and name HE1 ) ( resid 65 and name HB1 ) 2.9 1.1 0.6 volume=1.670 peak=64 ppm1=7.873 ppm2=2.752 assign ( resid 109 and name HN ) ( resid 109 and name HG2# ) 2.6 0.8 0.5 volume=3.347 peak=653 ppm1=7.805 ppm2=0.479 assign ( resid 62 and name HB2 ) ( resid 62 and name HB1 ) 3.3 1.5 0.7 volume=0.852 peak=2172 ppm1=2.662 ppm2=3.227 assign ( resid 95 and name HN ) ( resid 95 and name HA ) 2.8 1.0 0.6 volume=2.184 peak=856 ppm1=7.735 ppm2=3.841 assign ( resid 90 and name HB1 ) ( resid 90 and name HN ) 3.6 1.8 0.7 volume=0.506 peak=1226 ppm1=3.255 ppm2=9.128 assign ( resid 64 and name HB1 ) ( resid 65 and name HN ) 3.4 1.6 0.7 volume=0.675 peak=1184 ppm1=1.347 ppm2=7.875 assign ( resid 108 and name HA ) ( resid 108 and name HN ) 3.1 1.3 0.6 volume=1.230 peak=909 ppm1=3.959 ppm2=6.920 assign ( resid 71 and name HN ) ( resid 74 and name HD1# ) 3.3 1.5 0.7 volume=0.811 peak=616 ppm1=6.744 ppm2=1.049 assign ( resid 86 and name HB# ) ( resid 96 and name HB1 ) 2.7 0.9 0.5 volume=2.559 peak=1765 ppm1=1.067 ppm2=1.317 assign ( resid 88 and name HB2 ) ( resid 103 and name HB1 ) 3.5 1.7 0.7 volume=0.578 peak=2351 ppm1=2.751 ppm2=1.137 assign ( resid 81 and name HN ) ( resid 81 and name HD2 or resid 81 and name HD1 ) 3.6 1.8 0.7 volume=0.531 peak=795 ppm1=7.622 ppm2=2.970 assign ( resid 86 and name HB# ) ( resid 96 and name HG ) 3.1 1.3 0.6 volume=1.298 peak=923 ppm1=1.070 ppm2=1.426 assign ( resid 72 and name HD1# ) ( resid 75 and name HB1 ) 3.5 1.7 0.7 volume=0.549 peak=956 ppm1=0.555 ppm2=1.849 assign ( resid 74 and name HD2# ) ( resid 75 and name HA ) 4.4 2.6 0.9 volume=0.140 peak=1607 ppm1=0.768 ppm2=3.470 assign ( resid 75 and name HA ) ( resid 75 and name HB2 ) 4.0 2.2 0.8 volume=0.251 peak=1326 ppm1=3.465 ppm2=1.262 assign ( resid 107 and name HE21 ) ( resid 107 and name HE22 ) 2.2 0.4 0.4 volume=10.158 peak=348 ppm1=7.493 ppm2=6.926 assign ( resid 80 and name HE2 or resid 80 and name HE1 ) ( resid 80 and name HB2 or resid 80 and name HB1 ) 2.9 1.1 0.6 volume=1.863 peak=1269 ppm1=2.823 ppm2=1.711 assign ( resid 68 and name HA ) ( resid 68 and name HN ) 4.7 2.9 0.9 volume=0.096 peak=1799 ppm1=5.125 ppm2=7.686 assign ( resid 106 and name HN ) ( resid 106 and name HB2 ) 2.6 0.8 0.5 volume=3.668 peak=499 ppm1=7.303 ppm2=2.812 assign ( resid 79 and name HE1 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.3 1.5 0.7 volume=0.831 peak=1981 ppm1=3.085 ppm2=0.868 assign ( resid 108 and name HB1 ) ( resid 108 and name HA ) 3.5 1.7 0.7 volume=0.592 peak=2006 ppm1=1.586 ppm2=3.955 assign ( resid 73 and name HN ) ( resid 72 and name HB ) 3.8 2.0 0.8 volume=0.366 peak=221 ppm1=7.961 ppm2=0.886 assign ( resid 87 and name HD1 ) ( resid 87 and name HA ) 4.0 2.2 0.8 volume=0.270 peak=2385 ppm1=2.925 ppm2=4.179 assign ( resid 86 and name HN ) ( resid 86 and name HB# ) 2.7 0.9 0.5 volume=2.954 peak=164 ppm1=8.201 ppm2=1.069 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 75 and name HA ) 3.4 1.6 0.7 volume=0.680 peak=98 ppm1=6.902 ppm2=3.473 assign ( resid 79 and name HA ) ( resid 82 and name HB2 ) 4.1 2.3 0.8 volume=0.222 peak=1884 ppm1=3.477 ppm2=3.124 assign ( resid 93 and name HA ) ( resid 94 and name HN ) 3.9 2.1 0.8 volume=0.327 peak=1107 ppm1=5.000 ppm2=8.303 assign ( resid 74 and name HD2# ) ( resid 74 and name HD1# ) 2.4 0.6 0.5 volume=6.237 peak=1024 ppm1=0.765 ppm2=1.044 assign ( resid 77 and name HD2# ) ( resid 77 and name HG ) 2.4 0.6 0.5 volume=5.966 peak=1882 ppm1=0.735 ppm2=1.551 assign ( resid 91 and name HG2 ) ( resid 91 and name HB2 ) 2.4 0.6 0.5 volume=5.286 peak=984 ppm1=2.220 ppm2=1.997 assign ( resid 109 and name HA ) ( resid 109 and name HB ) 2.6 0.8 0.5 volume=3.507 peak=1419 ppm1=3.774 ppm2=1.784 assign ( resid 85 and name HG2 ) ( resid 85 and name HB2 ) 2.6 0.8 0.5 volume=3.868 peak=1873 ppm1=2.079 ppm2=1.791 assign ( resid 93 and name HN ) ( resid 93 and name HB1 ) 3.1 1.3 0.6 volume=1.279 peak=251 ppm1=7.744 ppm2=3.309 assign ( resid 108 and name HD1# ) ( resid 108 and name HA ) 2.6 0.8 0.5 volume=3.374 peak=1169 ppm1=0.708 ppm2=3.954 assign ( resid 72 and name HA ) ( resid 75 and name HN ) 3.8 2.0 0.8 volume=0.343 peak=2281 ppm1=3.156 ppm2=7.043 assign ( resid 112 and name HN ) ( resid 112 and name HA1 or resid 112 and name HA2 ) 2.4 0.6 0.5 volume=6.049 peak=800 ppm1=7.869 ppm2=3.643 assign ( resid 107 and name HB2 ) ( resid 107 and name HA ) 3.4 1.6 0.7 volume=0.669 peak=962 ppm1=2.128 ppm2=3.454 assign ( resid 112 and name HA1 ) ( resid 111 and name HN ) 4.3 2.5 0.9 volume=0.173 peak=1003 ppm1=3.646 ppm2=7.556 assign ( resid 71 and name HD2# ) ( resid 71 and name HN ) 3.8 2.0 0.8 volume=0.335 peak=2199 ppm1=0.806 ppm2=6.768 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 97 and name HB1 ) 2.9 1.1 0.6 volume=1.675 peak=22 ppm1=7.103 ppm2=2.662 assign ( resid 75 and name HN ) ( resid 72 and name HA ) 3.4 1.6 0.7 volume=0.731 peak=723 ppm1=7.049 ppm2=3.152 assign ( resid 101 and name HA2 ) ( resid 99 and name HG2# ) 3.9 2.1 0.8 volume=0.304 peak=2058 ppm1=3.654 ppm2=1.093 assign ( resid 77 and name HG ) ( resid 77 and name HA ) 3.3 1.5 0.7 volume=0.790 peak=1315 ppm1=1.555 ppm2=3.903 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 87 and name HG2 ) 2.6 0.8 0.5 volume=3.133 peak=2361 ppm1=1.358 ppm2=1.216 assign ( resid 81 and name HN ) ( resid 81 and name HB2 ) 2.8 1.0 0.6 volume=2.327 peak=808 ppm1=7.628 ppm2=1.498 assign ( resid 107 and name HG2 ) ( resid 107 and name HN ) 3.6 1.8 0.7 volume=0.527 peak=1917 ppm1=2.702 ppm2=8.030 assign ( resid 84 and name HN ) ( resid 84 and name HA2 or resid 84 and name HA1 ) 3.3 1.5 0.7 volume=0.797 peak=242 ppm1=8.218 ppm2=3.848 assign ( resid 75 and name HB1 ) ( resid 75 and name HB2 ) 3.3 1.5 0.7 volume=0.779 peak=1246 ppm1=1.854 ppm2=1.248 assign ( resid 97 and name HN ) ( resid 88 and name HN ) 3.4 1.6 0.7 volume=0.739 peak=2343 ppm1=8.694 ppm2=8.323 assign ( resid 80 and name HN ) ( resid 77 and name HA ) 2.8 1.0 0.6 volume=2.044 peak=789 ppm1=7.091 ppm2=3.904 assign ( resid 107 and name HN ) ( resid 106 and name HA ) 3.4 1.6 0.7 volume=0.689 peak=257 ppm1=8.026 ppm2=4.066 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 102 and name HB1 ) 3.0 1.2 0.6 volume=1.336 peak=5 ppm1=7.102 ppm2=2.805 assign ( resid 88 and name HB1 ) ( resid 97 and name HN ) 4.3 2.5 0.9 volume=0.169 peak=1792 ppm1=2.644 ppm2=8.693 assign ( resid 74 and name HD1# ) ( resid 74 and name HG ) 2.8 1.0 0.6 volume=2.446 peak=1660 ppm1=1.042 ppm2=1.549 assign ( resid 75 and name HB1 ) ( resid 75 and name HD1# ) 3.2 1.4 0.6 volume=1.040 peak=1236 ppm1=1.855 ppm2=0.892 assign ( resid 107 and name HE21 ) ( resid 107 and name HN ) 4.1 2.3 0.8 volume=0.225 peak=676 ppm1=7.493 ppm2=8.031 assign ( resid 96 and name HD1# ) ( resid 89 and name HD2 ) 3.1 1.3 0.6 volume=1.165 peak=966 ppm1=0.563 ppm2=2.929 assign ( resid 108 and name HN ) ( resid 107 and name HB1 ) 3.3 1.5 0.7 volume=0.820 peak=133 ppm1=6.922 ppm2=2.074 assign ( resid 72 and name HD1# ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.2 1.4 0.6 volume=0.972 peak=1010 ppm1=0.550 ppm2=6.827 assign ( resid 81 and name HN ) ( resid 81 and name HB1 ) 2.7 0.9 0.5 volume=2.637 peak=226 ppm1=7.626 ppm2=1.386 assign ( resid 88 and name HA ) ( resid 89 and name HN ) 4.4 2.6 0.9 volume=0.149 peak=1322 ppm1=4.442 ppm2=8.390 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 95 and name HD2 ) 3.3 1.5 0.7 volume=0.881 peak=13 ppm1=6.681 ppm2=1.404 assign ( resid 103 and name HA ) ( resid 97 and name HB2 ) 3.5 1.7 0.7 volume=0.561 peak=876 ppm1=3.033 ppm2=3.127 assign ( resid 93 and name HN ) ( resid 90 and name HB1 ) 2.9 1.1 0.6 volume=1.749 peak=130 ppm1=7.744 ppm2=3.268 assign ( resid 91 and name HG2 ) ( resid 91 and name HA ) 3.3 1.5 0.7 volume=0.770 peak=2117 ppm1=2.219 ppm2=4.002 assign ( resid 110 and name HN ) ( resid 109 and name HG1# ) 3.2 1.4 0.6 volume=0.948 peak=240 ppm1=7.118 ppm2=0.308 assign ( resid 79 and name HA ) ( resid 82 and name HB1 ) 4.1 2.3 0.8 volume=0.220 peak=1944 ppm1=3.476 ppm2=3.013 assign ( resid 75 and name HD1# ) ( resid 75 and name HA ) 3.2 1.4 0.6 volume=0.991 peak=1629 ppm1=0.890 ppm2=3.459 assign ( resid 106 and name HB1 ) ( resid 103 and name HA ) 4.1 2.3 0.8 volume=0.225 peak=1408 ppm1=2.582 ppm2=3.033 assign ( resid 64 and name HN ) ( resid 63 and name HG2 or resid 63 and name HG1 ) 3.6 1.8 0.7 volume=0.457 peak=685 ppm1=8.555 ppm2=2.260 assign ( resid 107 and name HB1 ) ( resid 107 and name HG2 ) 3.2 1.4 0.6 volume=1.029 peak=877 ppm1=2.050 ppm2=2.694 assign ( resid 106 and name HD2 ) ( resid 107 and name HA ) 3.0 1.2 0.6 volume=1.343 peak=82 ppm1=6.687 ppm2=3.454 assign ( resid 105 and name HD2 or resid 105 and name HD1 ) ( resid 105 and name HA ) 3.8 2.0 0.8 volume=0.371 peak=1475 ppm1=3.052 ppm2=3.845 assign ( resid 75 and name HD2# ) ( resid 60 and name HB2 ) 3.2 1.4 0.6 volume=0.938 peak=2053 ppm1=0.847 ppm2=2.621 assign ( resid 71 and name HB2 ) ( resid 74 and name HN ) 4.3 2.5 0.9 volume=0.172 peak=1350 ppm1=1.646 ppm2=6.397 assign ( resid 96 and name HB1 ) ( resid 97 and name HN ) 4.3 2.5 0.9 volume=0.171 peak=1933 ppm1=1.320 ppm2=8.691 assign ( resid 95 and name HG1 ) ( resid 95 and name HA ) 3.4 1.6 0.7 volume=0.726 peak=1962 ppm1=1.025 ppm2=3.844 assign ( resid 95 and name HB2 ) ( resid 96 and name HN ) 3.5 1.7 0.7 volume=0.578 peak=1446 ppm1=1.185 ppm2=7.584 assign ( resid 72 and name HB ) ( resid 60 and name HE1 or resid 60 and name HE2 ) 4.0 2.2 0.8 volume=0.270 peak=1014 ppm1=0.876 ppm2=6.758 assign ( resid 75 and name HN ) ( resid 72 and name HD1# ) 4.0 2.2 0.8 volume=0.264 peak=763 ppm1=7.049 ppm2=0.560 assign ( resid 89 and name HB1 ) ( resid 96 and name HD1# ) 3.4 1.6 0.7 volume=0.655 peak=892 ppm1=1.604 ppm2=0.565 assign ( resid 104 and name HG2 ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 2.5 0.7 0.5 volume=4.393 peak=1734 ppm1=1.345 ppm2=1.676 assign ( resid 90 and name HN ) ( resid 96 and name HD1# ) 3.4 1.6 0.7 volume=0.749 peak=313 ppm1=9.128 ppm2=0.562 assign ( resid 87 and name HG1 ) ( resid 87 and name HD2 ) 3.2 1.4 0.6 volume=1.063 peak=2341 ppm1=1.128 ppm2=2.846 assign ( resid 109 and name HG1# ) ( resid 109 and name HB ) 2.6 0.8 0.5 volume=3.564 peak=2103 ppm1=0.308 ppm2=1.782 assign ( resid 103 and name HN ) ( resid 101 and name HA1 ) 3.7 1.9 0.7 volume=0.440 peak=773 ppm1=7.215 ppm2=3.546 assign ( resid 72 and name HN ) ( resid 71 and name HA ) 3.1 1.3 0.6 volume=1.266 peak=137 ppm1=8.437 ppm2=4.863 assign ( resid 109 and name HG2# ) ( resid 112 and name HA1 or resid 112 and name HA2 ) 4.5 2.7 0.9 volume=0.129 peak=1742 ppm1=0.485 ppm2=3.623 assign ( resid 103 and name HN ) ( resid 97 and name HB1 ) 2.9 1.1 0.6 volume=1.726 peak=835 ppm1=7.217 ppm2=2.680 assign ( resid 100 and name HA ) ( resid 88 and name HB1 ) 4.0 2.2 0.8 volume=0.247 peak=2381 ppm1=3.215 ppm2=2.643 assign ( resid 91 and name HA ) ( resid 91 and name HB1 ) 2.6 0.8 0.5 volume=3.215 peak=1635 ppm1=3.998 ppm2=1.891 assign ( resid 85 and name HB1 ) ( resid 85 and name HA ) 3.3 1.5 0.7 volume=0.901 peak=2221 ppm1=1.866 ppm2=4.086 assign ( resid 93 and name HN ) ( resid 92 and name HA ) 3.2 1.4 0.6 volume=1.034 peak=144 ppm1=7.743 ppm2=4.356 assign ( resid 97 and name HB1 ) ( resid 103 and name HD2# ) 4.1 2.3 0.8 volume=0.220 peak=910 ppm1=2.666 ppm2=0.865 assign ( resid 78 and name HB1 ) ( resid 78 and name HB2 ) 3.6 1.8 0.7 volume=0.536 peak=1470 ppm1=2.854 ppm2=3.201 assign ( resid 80 and name HN ) ( resid 77 and name HN ) 3.7 1.9 0.7 volume=0.419 peak=444 ppm1=7.089 ppm2=7.291 assign ( resid 87 and name HN ) ( resid 96 and name HD1# ) 4.1 2.3 0.8 volume=0.216 peak=400 ppm1=7.712 ppm2=0.586 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 95 and name HB2 ) 3.3 1.5 0.7 volume=0.882 peak=80 ppm1=6.680 ppm2=1.176 assign ( resid 72 and name HN ) ( resid 72 and name HG2# ) 3.2 1.4 0.6 volume=0.935 peak=746 ppm1=8.439 ppm2=0.605 assign ( resid 108 and name HN ) ( resid 108 and name HB2 ) 2.9 1.1 0.6 volume=1.902 peak=830 ppm1=6.918 ppm2=1.362 assign ( resid 71 and name HB1 ) ( resid 71 and name HN ) 4.7 2.9 0.9 volume=0.103 peak=1690 ppm1=1.344 ppm2=6.742 assign ( resid 103 and name HD1# ) ( resid 103 and name HB2 ) 3.1 1.3 0.6 volume=1.166 peak=1201 ppm1=0.808 ppm2=1.820 assign ( resid 103 and name HA ) ( resid 106 and name HN ) 3.7 1.9 0.7 volume=0.411 peak=1688 ppm1=3.029 ppm2=7.305 assign ( resid 99 and name HG2# ) ( resid 102 and name HB1 ) 3.6 1.8 0.7 volume=0.469 peak=1722 ppm1=1.076 ppm2=2.807 assign ( resid 103 and name HA ) ( resid 106 and name HB2 ) 3.4 1.6 0.7 volume=0.757 peak=1062 ppm1=3.029 ppm2=2.823 assign ( resid 106 and name HD2 ) ( resid 97 and name HZ ) 3.0 1.2 0.6 volume=1.444 peak=29 ppm1=6.681 ppm2=5.906 assign ( resid 81 and name HN ) ( resid 79 and name HN ) 4.0 2.2 0.8 volume=0.264 peak=565 ppm1=7.622 ppm2=8.402 assign ( resid 110 and name HN ) ( resid 107 and name HN ) 3.9 2.1 0.8 volume=0.293 peak=343 ppm1=7.119 ppm2=8.026 assign ( resid 75 and name HB2 ) ( resid 75 and name HA ) 4.3 2.5 0.9 volume=0.164 peak=1794 ppm1=1.245 ppm2=3.467 assign ( resid 85 and name HG2 ) ( resid 85 and name HG1 ) 1.9 0.1 0.4 volume=22.752 peak=918 ppm1=2.080 ppm2=2.131 assign ( resid 74 and name HN ) ( resid 71 and name HD2# ) 3.2 1.4 0.6 volume=1.030 peak=185 ppm1=6.393 ppm2=0.854 assign ( resid 60 and name HB2 ) ( resid 69 and name HB2 ) 3.7 1.9 0.7 volume=0.434 peak=891 ppm1=2.628 ppm2=3.070 assign ( resid 78 and name HD2 ) ( resid 62 and name HB2 ) 3.1 1.3 0.6 volume=1.153 peak=65 ppm1=6.723 ppm2=2.666 assign ( resid 108 and name HD1# ) ( resid 107 and name HG2 ) 3.7 1.9 0.7 volume=0.451 peak=1746 ppm1=0.706 ppm2=2.680 assign ( resid 106 and name HD2 ) ( resid 106 and name HB1 ) 3.1 1.3 0.6 volume=1.241 peak=93 ppm1=6.685 ppm2=2.586 assign ( resid 104 and name HN ) ( resid 101 and name HA1 ) 3.4 1.6 0.7 volume=0.705 peak=382 ppm1=8.130 ppm2=3.573 assign ( resid 91 and name HB2 ) ( resid 91 and name HB1 ) 2.2 0.4 0.4 volume=9.387 peak=1995 ppm1=1.995 ppm2=1.892 assign ( resid 103 and name HB2 ) ( resid 103 and name HB1 ) 3.1 1.3 0.6 volume=1.194 peak=1143 ppm1=1.821 ppm2=1.135 assign ( resid 107 and name HE22 ) ( resid 91 and name HN ) 4.4 2.6 0.9 volume=0.155 peak=515 ppm1=6.925 ppm2=9.387 assign ( resid 107 and name HE22 ) ( resid 107 and name HG2 ) 3.3 1.5 0.7 volume=0.772 peak=568 ppm1=6.928 ppm2=2.701 assign ( resid 69 and name HB1 ) ( resid 74 and name HD1# ) 4.5 2.7 0.9 volume=0.121 peak=1879 ppm1=2.506 ppm2=1.035 assign ( resid 104 and name HG2 ) ( resid 104 and name HE2 or resid 104 and name HE1 ) 2.9 1.1 0.6 volume=1.873 peak=1247 ppm1=1.344 ppm2=2.781 assign ( resid 89 and name HD1 ) ( resid 96 and name HD1# ) 3.4 1.6 0.7 volume=0.737 peak=1187 ppm1=2.960 ppm2=0.565 assign ( resid 71 and name HA ) ( resid 71 and name HN ) 4.5 2.7 0.9 volume=0.127 peak=981 ppm1=4.878 ppm2=6.764 assign ( resid 112 and name HA1 ) ( resid 108 and name HD1# ) 4.1 2.3 0.8 volume=0.225 peak=907 ppm1=3.645 ppm2=0.712 assign ( resid 102 and name HB1 ) ( resid 102 and name HD21 ) 3.7 1.9 0.7 volume=0.432 peak=1483 ppm1=2.826 ppm2=6.812 assign ( resid 103 and name HB1 ) ( resid 103 and name HB2 ) 3.3 1.5 0.7 volume=0.895 peak=1280 ppm1=1.133 ppm2=1.823 assign ( resid 87 and name HD2 ) ( resid 87 and name HA ) 4.2 2.4 0.8 volume=0.202 peak=2309 ppm1=2.850 ppm2=4.184 assign ( resid 92 and name HN ) ( resid 91 and name HG2 ) 3.2 1.4 0.6 volume=0.995 peak=759 ppm1=8.369 ppm2=2.223 assign ( resid 108 and name HD2# ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 3.9 2.1 0.8 volume=0.288 peak=1675 ppm1=0.799 ppm2=3.068 assign ( resid 103 and name HD2# ) ( resid 100 and name HN ) 3.8 2.0 0.8 volume=0.364 peak=1704 ppm1=0.878 ppm2=8.333 assign ( resid 97 and name HN ) ( resid 97 and name HB1 ) 3.0 1.2 0.6 volume=1.586 peak=152 ppm1=8.699 ppm2=2.681 assign ( resid 105 and name HB2 or resid 105 and name HB1 ) ( resid 105 and name HN ) 2.8 1.0 0.6 volume=2.167 peak=2161 ppm1=1.669 ppm2=7.549 assign ( resid 74 and name HN ) ( resid 73 and name HA ) 3.2 1.4 0.6 volume=1.019 peak=469 ppm1=6.393 ppm2=3.906 assign ( resid 100 and name HB1 ) ( resid 88 and name HE1 or resid 88 and name HE2 ) 4.1 2.3 0.8 volume=0.231 peak=1979 ppm1=3.372 ppm2=6.667 assign ( resid 77 and name HB1 ) ( resid 77 and name HD1# ) 2.7 0.9 0.5 volume=2.805 peak=2007 ppm1=1.430 ppm2=0.710 assign ( resid 100 and name HB2 ) ( resid 100 and name HA ) 3.2 1.4 0.6 volume=0.992 peak=1597 ppm1=3.530 ppm2=3.218 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 75 and name HD1# ) 3.0 1.2 0.6 volume=1.395 peak=72 ppm1=6.137 ppm2=0.889 assign ( resid 85 and name HN ) ( resid 83 and name HA ) 3.7 1.9 0.7 volume=0.449 peak=396 ppm1=7.941 ppm2=4.289 assign ( resid 69 and name HB2 ) ( resid 69 and name HN ) 4.3 2.5 0.9 volume=0.165 peak=1108 ppm1=3.067 ppm2=8.413 assign ( resid 85 and name HG1 ) ( resid 87 and name HG1 ) 3.9 2.1 0.8 volume=0.286 peak=2331 ppm1=2.127 ppm2=1.142 assign ( resid 77 and name HN ) ( resid 80 and name HN ) 3.9 2.1 0.8 volume=0.289 peak=627 ppm1=7.295 ppm2=7.091 assign ( resid 74 and name HN ) ( resid 74 and name HD2# ) 3.0 1.2 0.6 volume=1.498 peak=607 ppm1=6.393 ppm2=0.776 assign ( resid 77 and name HB2 ) ( resid 77 and name HB1 ) 2.7 0.9 0.5 volume=2.907 peak=1883 ppm1=1.555 ppm2=1.426 assign ( resid 74 and name HN ) ( resid 69 and name HB1 ) 4.2 2.4 0.8 volume=0.210 peak=216 ppm1=6.395 ppm2=2.550 assign ( resid 74 and name HN ) ( resid 71 and name HA ) 4.2 2.4 0.8 volume=0.185 peak=238 ppm1=6.386 ppm2=4.864 assign ( resid 75 and name HD1# ) ( resid 62 and name HB2 ) 3.4 1.6 0.7 volume=0.752 peak=1379 ppm1=0.890 ppm2=2.663 assign ( resid 95 and name HG2 ) ( resid 95 and name HE2 or resid 95 and name HE1 ) 3.1 1.3 0.6 volume=1.188 peak=1420 ppm1=1.420 ppm2=2.821 assign ( resid 89 and name HN ) ( resid 88 and name HB2 ) 3.3 1.5 0.7 volume=0.771 peak=432 ppm1=8.393 ppm2=2.752 assign ( resid 74 and name HN ) ( resid 75 and name HN ) 3.2 1.4 0.6 volume=0.991 peak=253 ppm1=6.395 ppm2=7.053 assign ( resid 64 and name HG1 ) ( resid 64 and name HG2 ) 2.7 0.9 0.5 volume=2.693 peak=1511 ppm1=1.604 ppm2=1.759 assign ( resid 95 and name HB2 ) ( resid 95 and name HG2 ) 2.6 0.8 0.5 volume=3.575 peak=1230 ppm1=1.194 ppm2=1.405 assign ( resid 71 and name HB1 ) ( resid 74 and name HN ) 4.4 2.6 0.9 volume=0.147 peak=1023 ppm1=1.346 ppm2=6.402 assign ( resid 82 and name HN ) ( resid 81 and name HB2 ) 3.3 1.5 0.7 volume=0.910 peak=701 ppm1=7.139 ppm2=1.494 assign ( resid 74 and name HB2 ) ( resid 74 and name HD2# ) 3.5 1.7 0.7 volume=0.548 peak=1006 ppm1=1.752 ppm2=0.768 assign ( resid 74 and name HD2# ) ( resid 74 and name HA ) 2.9 1.1 0.6 volume=1.777 peak=1027 ppm1=0.764 ppm2=3.928 assign ( resid 84 and name HA2 or resid 84 and name HA1 ) ( resid 85 and name HB2 or resid 85 and name HB1 ) 3.9 2.1 0.8 volume=0.310 peak=1354 ppm1=3.854 ppm2=1.818 assign ( resid 104 and name HG2 ) ( resid 104 and name HG1 ) 2.0 0.2 0.4 volume=16.867 peak=1072 ppm1=1.344 ppm2=1.266 assign ( resid 108 and name HB1 ) ( resid 108 and name HD1# ) 3.0 1.2 0.6 volume=1.517 peak=916 ppm1=1.587 ppm2=0.723 assign ( resid 102 and name HA ) ( resid 105 and name HN ) 4.5 2.7 0.9 volume=0.124 peak=2085 ppm1=4.335 ppm2=7.548 assign ( resid 64 and name HN ) ( resid 62 and name HB2 ) 3.7 1.9 0.7 volume=0.415 peak=298 ppm1=8.550 ppm2=2.673 assign ( resid 81 and name HN ) ( resid 78 and name HA ) 2.8 1.0 0.6 volume=2.159 peak=269 ppm1=7.627 ppm2=3.979 assign ( resid 102 and name HA ) ( resid 102 and name HB2 ) 3.8 2.0 0.8 volume=0.366 peak=2246 ppm1=4.334 ppm2=2.722 assign ( resid 64 and name HB2 ) ( resid 64 and name HA ) 3.8 2.0 0.8 volume=0.333 peak=1091 ppm1=1.388 ppm2=4.112 assign ( resid 77 and name HA ) ( resid 77 and name HD2# ) 2.7 0.9 0.5 volume=2.994 peak=976 ppm1=3.907 ppm2=0.742 assign ( resid 86 and name HN ) ( resid 85 and name HG2 ) 3.7 1.9 0.7 volume=0.421 peak=126 ppm1=8.201 ppm2=2.090 assign ( resid 75 and name HB2 ) ( resid 75 and name HD1# ) 3.4 1.6 0.7 volume=0.672 peak=1208 ppm1=1.249 ppm2=0.890 assign ( resid 110 and name HN ) ( resid 108 and name HN ) 3.5 1.7 0.7 volume=0.571 peak=503 ppm1=7.119 ppm2=6.946 assign ( resid 60 and name HN ) ( resid 60 and name HB1 ) 3.5 1.7 0.7 volume=0.616 peak=710 ppm1=7.710 ppm2=2.840 assign ( resid 79 and name HN ) ( resid 78 and name HN ) 3.2 1.4 0.6 volume=0.996 peak=798 ppm1=8.415 ppm2=7.441 assign ( resid 97 and name HN ) ( resid 90 and name HN ) 4.0 2.2 0.8 volume=0.255 peak=142 ppm1=8.697 ppm2=9.130 assign ( resid 96 and name HD1# ) ( resid 89 and name HB1 ) 3.1 1.3 0.6 volume=1.225 peak=1712 ppm1=0.562 ppm2=1.602 assign ( resid 89 and name HB1 ) ( resid 89 and name HD1 ) 3.4 1.6 0.7 volume=0.657 peak=973 ppm1=1.607 ppm2=2.960 assign ( resid 107 and name HN ) ( resid 105 and name HN ) 3.6 1.8 0.7 volume=0.506 peak=258 ppm1=8.027 ppm2=7.517 assign ( resid 88 and name HA ) ( resid 88 and name HN ) 4.5 2.7 0.9 volume=0.137 peak=2316 ppm1=4.444 ppm2=8.319 assign ( resid 96 and name HB2 ) ( resid 96 and name HN ) 3.4 1.6 0.7 volume=0.643 peak=1237 ppm1=1.056 ppm2=7.583 assign ( resid 69 and name HN ) ( resid 69 and name HB1 ) 3.1 1.3 0.6 volume=1.116 peak=728 ppm1=8.412 ppm2=2.541 assign ( resid 93 and name HB1 ) ( resid 93 and name HA ) 3.2 1.4 0.6 volume=0.916 peak=1928 ppm1=3.281 ppm2=4.998 assign ( resid 78 and name HB1 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.7 1.9 0.7 volume=0.401 peak=2099 ppm1=2.862 ppm2=0.870 assign ( resid 88 and name HE1 or resid 88 and name HE2 ) ( resid 100 and name HB1 ) 3.4 1.6 0.7 volume=0.727 peak=18 ppm1=6.667 ppm2=3.367 assign ( resid 88 and name HB2 ) ( resid 97 and name HN ) 4.3 2.5 0.9 volume=0.176 peak=2198 ppm1=2.747 ppm2=8.689 assign ( resid 74 and name HD2# ) ( resid 69 and name HE1 or resid 69 and name HE2 ) 4.5 2.7 0.9 volume=0.133 peak=1209 ppm1=0.763 ppm2=6.126 assign ( resid 104 and name HD1 or resid 104 and name HD2 ) ( resid 104 and name HG1 ) 2.1 0.3 0.4 volume=13.030 peak=1737 ppm1=1.487 ppm2=1.269 assign ( resid 107 and name HG1 ) ( resid 103 and name HD1# ) 3.3 1.5 0.7 volume=0.829 peak=2214 ppm1=2.642 ppm2=0.818 assign ( resid 109 and name HG2# ) ( resid 109 and name HN ) 2.8 1.0 0.6 volume=2.209 peak=1939 ppm1=0.487 ppm2=7.819 assign ( resid 108 and name HN ) ( resid 110 and name HN ) 3.2 1.4 0.6 volume=0.946 peak=237 ppm1=6.917 ppm2=7.094 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 73 and name HA ) 3.8 2.0 0.8 volume=0.363 peak=2131 ppm1=2.574 ppm2=3.899 assign ( resid 96 and name HA ) ( resid 96 and name HD1# ) 4.6 2.8 0.9 volume=0.108 peak=1968 ppm1=4.759 ppm2=0.569 assign ( resid 89 and name HG1 or resid 89 and name HG2 ) ( resid 89 and name HB1 ) 3.0 1.2 0.6 volume=1.619 peak=1534 ppm1=1.097 ppm2=1.604 assign ( resid 108 and name HD2# ) ( resid 108 and name HA ) 3.6 1.8 0.7 volume=0.514 peak=1482 ppm1=0.799 ppm2=3.955 assign ( resid 97 and name HB1 ) ( resid 97 and name HN ) 4.2 2.4 0.8 volume=0.208 peak=1669 ppm1=2.664 ppm2=8.701 assign ( resid 105 and name HD2 or resid 105 and name HD1 ) ( resid 105 and name HB2 or resid 105 and name HB1 ) 2.5 0.7 0.5 volume=4.515 peak=1963 ppm1=3.053 ppm2=1.659 assign ( resid 107 and name HE22 ) ( resid 107 and name HE21 ) 2.2 0.4 0.4 volume=8.471 peak=423 ppm1=6.929 ppm2=7.496 assign ( resid 82 and name HN ) ( resid 82 and name HA ) 2.9 1.1 0.6 volume=1.664 peak=530 ppm1=7.141 ppm2=4.682 assign ( resid 75 and name HB2 ) ( resid 76 and name HN ) 4.4 2.6 0.9 volume=0.143 peak=1610 ppm1=1.242 ppm2=8.448 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 88 and name HB2 ) 2.7 0.9 0.5 volume=2.940 peak=2355 ppm1=6.811 ppm2=2.757 assign ( resid 85 and name HG2 ) ( resid 85 and name HN ) 4.0 2.2 0.8 volume=0.269 peak=1358 ppm1=2.071 ppm2=7.940 assign ( resid 105 and name HB2 or resid 105 and name HB1 ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 2.9 1.1 0.6 volume=1.836 peak=2256 ppm1=1.669 ppm2=3.046 assign ( resid 72 and name HD1# ) ( resid 72 and name HN ) 3.8 2.0 0.8 volume=0.383 peak=1744 ppm1=0.552 ppm2=8.446 assign ( resid 95 and name HG2 ) ( resid 95 and name HB2 ) 2.3 0.5 0.5 volume=6.901 peak=963 ppm1=1.408 ppm2=1.193 assign ( resid 72 and name HN ) ( resid 71 and name HB2 ) 3.6 1.8 0.7 volume=0.470 peak=833 ppm1=8.440 ppm2=1.647 assign ( resid 102 and name HB1 ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 3.4 1.6 0.7 volume=0.719 peak=1934 ppm1=2.814 ppm2=7.107 assign ( resid 79 and name HN ) ( resid 79 and name HB2 or resid 79 and name HB1 ) 2.6 0.8 0.5 volume=3.101 peak=182 ppm1=8.418 ppm2=1.833 assign ( resid 77 and name HB1 ) ( resid 77 and name HA ) 3.4 1.6 0.7 volume=0.653 peak=2143 ppm1=1.429 ppm2=3.903 assign ( resid 105 and name HG1 ) ( resid 105 and name HA ) 3.2 1.4 0.6 volume=1.010 peak=1588 ppm1=1.444 ppm2=3.844 assign ( resid 111 and name HN ) ( resid 110 and name HB1 ) 3.7 1.9 0.7 volume=0.390 peak=649 ppm1=7.583 ppm2=3.147 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 88 and name HN ) 2.8 1.0 0.6 volume=2.083 peak=2321 ppm1=6.810 ppm2=8.312 assign ( resid 84 and name HN ) ( resid 83 and name HA ) 4.0 2.2 0.8 volume=0.279 peak=624 ppm1=8.214 ppm2=4.300 assign ( resid 73 and name HN ) ( resid 72 and name HG12 ) 3.8 2.0 0.8 volume=0.339 peak=165 ppm1=7.961 ppm2=0.802 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 78 and name HB2 ) 3.6 1.8 0.7 volume=0.476 peak=81 ppm1=6.141 ppm2=3.191 assign ( resid 78 and name HN ) ( resid 76 and name HA ) 3.8 2.0 0.8 volume=0.357 peak=742 ppm1=7.441 ppm2=4.171 assign ( resid 77 and name HB1 ) ( resid 77 and name HB2 ) 2.5 0.7 0.5 volume=4.421 peak=1813 ppm1=1.433 ppm2=1.551 assign ( resid 88 and name HB1 ) ( resid 103 and name HB1 ) 3.8 2.0 0.8 volume=0.350 peak=2354 ppm1=2.641 ppm2=1.135 assign ( resid 59 and name HD1 ) ( resid 59 and name HG2 ) 3.3 1.5 0.7 volume=0.830 peak=2192 ppm1=3.400 ppm2=1.571 assign ( resid 71 and name HD1# ) ( resid 71 and name HD2# ) 2.3 0.5 0.5 volume=7.041 peak=2262 ppm1=0.917 ppm2=0.811 assign ( resid 85 and name HG2 ) ( resid 87 and name HG1 ) 3.9 2.1 0.8 volume=0.289 peak=2390 ppm1=2.075 ppm2=1.141 assign ( resid 59 and name HB2 ) ( resid 59 and name HG2 ) 3.3 1.5 0.7 volume=0.761 peak=2240 ppm1=0.974 ppm2=1.561 assign ( resid 95 and name HA ) ( resid 95 and name HE2 or resid 95 and name HE1 ) 3.9 2.1 0.8 volume=0.291 peak=1502 ppm1=3.845 ppm2=2.816 assign ( resid 64 and name HN ) ( resid 65 and name HA ) 4.2 2.4 0.8 volume=0.198 peak=466 ppm1=8.553 ppm2=4.980 assign ( resid 100 and name HA ) ( resid 88 and name HB2 ) 4.2 2.4 0.8 volume=0.208 peak=2347 ppm1=3.211 ppm2=2.748 assign ( resid 97 and name HB2 ) ( resid 103 and name HD2# ) 3.9 2.1 0.8 volume=0.305 peak=964 ppm1=3.120 ppm2=0.859 assign ( resid 74 and name HB1 ) ( resid 74 and name HD2# ) 3.1 1.3 0.6 volume=1.171 peak=1594 ppm1=1.291 ppm2=0.757 assign ( resid 74 and name HD2# ) ( resid 77 and name HN ) 3.9 2.1 0.8 volume=0.286 peak=2177 ppm1=0.763 ppm2=7.294 assign ( resid 91 and name HB1 ) ( resid 91 and name HA ) 3.0 1.2 0.6 volume=1.338 peak=1909 ppm1=1.890 ppm2=4.000 assign ( resid 71 and name HN ) ( resid 69 and name HB1 ) 3.6 1.8 0.7 volume=0.503 peak=517 ppm1=6.743 ppm2=2.532 assign ( resid 89 and name HN ) ( resid 97 and name HN ) 4.1 2.3 0.8 volume=0.237 peak=569 ppm1=8.398 ppm2=8.705 assign ( resid 105 and name HN ) ( resid 101 and name HA1 or resid 101 and name HA2 ) 3.6 1.8 0.7 volume=0.508 peak=605 ppm1=7.548 ppm2=3.666 assign ( resid 86 and name HN ) ( resid 80 and name HG1 ) 4.3 2.5 0.9 volume=0.160 peak=235 ppm1=8.213 ppm2=1.349 assign ( resid 80 and name HB2 or resid 80 and name HB1 ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 3.6 1.8 0.7 volume=0.472 peak=982 ppm1=1.717 ppm2=2.818 assign ( resid 106 and name HB1 ) ( resid 97 and name HZ ) 4.2 2.4 0.8 volume=0.204 peak=900 ppm1=2.582 ppm2=5.914 assign ( resid 96 and name HD2# ) ( resid 97 and name HN ) 4.2 2.4 0.8 volume=0.206 peak=1166 ppm1=0.682 ppm2=8.701 assign ( resid 104 and name HA ) ( resid 104 and name HG2 ) 2.9 1.1 0.6 volume=1.872 peak=1652 ppm1=3.915 ppm2=1.343 assign ( resid 105 and name HG2 ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 2.8 1.0 0.6 volume=2.366 peak=1606 ppm1=1.574 ppm2=3.047 assign ( resid 90 and name HB1 ) ( resid 95 and name HN ) 3.3 1.5 0.7 volume=0.909 peak=2042 ppm1=3.260 ppm2=7.736 assign ( resid 79 and name HA ) ( resid 80 and name HN ) 3.9 2.1 0.8 volume=0.322 peak=1755 ppm1=3.476 ppm2=7.093 assign ( resid 74 and name HD1# ) ( resid 74 and name HA ) 3.7 1.9 0.7 volume=0.392 peak=1878 ppm1=1.036 ppm2=3.927 assign ( resid 102 and name HN ) ( resid 105 and name HN ) 4.2 2.4 0.8 volume=0.183 peak=521 ppm1=7.851 ppm2=7.540 assign ( resid 81 and name HN ) ( resid 80 and name HB2 or resid 80 and name HB1 ) 3.1 1.3 0.6 volume=1.313 peak=842 ppm1=7.624 ppm2=1.708 assign ( resid 80 and name HE2 or resid 80 and name HE1 ) ( resid 80 and name HD1 ) 2.1 0.3 0.4 volume=12.342 peak=2012 ppm1=2.822 ppm2=1.526 assign ( resid 62 and name HN ) ( resid 75 and name HD1# ) 3.6 1.8 0.7 volume=0.507 peak=500 ppm1=8.873 ppm2=0.911 assign ( resid 112 and name HA1 ) ( resid 109 and name HA ) 2.8 1.0 0.6 volume=2.257 peak=2238 ppm1=3.647 ppm2=3.766 assign ( resid 78 and name HA ) ( resid 78 and name HB2 ) 3.4 1.6 0.7 volume=0.724 peak=1575 ppm1=3.992 ppm2=3.201 assign ( resid 80 and name HA ) ( resid 80 and name HN ) 3.0 1.2 0.6 volume=1.396 peak=1599 ppm1=3.930 ppm2=7.097 assign ( resid 65 and name HN ) ( resid 62 and name HB2 ) 3.3 1.5 0.7 volume=0.858 peak=858 ppm1=7.852 ppm2=2.690 assign ( resid 104 and name HN ) ( resid 103 and name HB1 ) 3.2 1.4 0.6 volume=1.000 peak=241 ppm1=8.130 ppm2=1.144 assign ( resid 94 and name HN ) ( resid 94 and name HA2 ) 2.7 0.9 0.5 volume=2.772 peak=445 ppm1=8.294 ppm2=4.077 assign ( resid 71 and name HN ) ( resid 71 and name HD2# ) 3.3 1.5 0.7 volume=0.823 peak=254 ppm1=6.742 ppm2=0.830 assign ( resid 76 and name HN ) ( resid 74 and name HA ) 3.3 1.5 0.7 volume=0.798 peak=397 ppm1=8.458 ppm2=3.951 assign ( resid 96 and name HA ) ( resid 97 and name HN ) 4.5 2.7 0.9 volume=0.135 peak=1993 ppm1=4.762 ppm2=8.701 assign ( resid 105 and name HB2 or resid 105 and name HB1 ) ( resid 105 and name HG1 ) 2.3 0.5 0.5 volume=6.462 peak=1657 ppm1=1.667 ppm2=1.456 assign ( resid 72 and name HA ) ( resid 72 and name HG11 ) 3.5 1.7 0.7 volume=0.627 peak=1231 ppm1=3.159 ppm2=0.714 assign ( resid 108 and name HN ) ( resid 106 and name HN ) 4.0 2.2 0.8 volume=0.269 peak=670 ppm1=6.917 ppm2=7.310 assign ( resid 107 and name HN ) ( resid 108 and name HD2# ) 3.2 1.4 0.6 volume=1.042 peak=160 ppm1=8.021 ppm2=0.813 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 106 and name HB1 ) 3.1 1.3 0.6 volume=1.182 peak=41 ppm1=6.679 ppm2=2.612 assign ( resid 102 and name HB2 ) ( resid 99 and name HB ) 4.3 2.5 0.9 volume=0.177 peak=1044 ppm1=2.729 ppm2=4.302 assign ( resid 99 and name HG2# ) ( resid 101 and name HN ) 3.8 2.0 0.8 volume=0.374 peak=1399 ppm1=1.083 ppm2=8.338 assign ( resid 103 and name HN ) ( resid 101 and name HA1 or resid 101 and name HA2 ) 4.0 2.2 0.8 volume=0.280 peak=271 ppm1=7.216 ppm2=3.669 assign ( resid 96 and name HB2 ) ( resid 96 and name HD2# ) 3.2 1.4 0.6 volume=1.047 peak=1784 ppm1=1.054 ppm2=0.684 assign ( resid 102 and name HN ) ( resid 99 and name HG2# ) 3.6 1.8 0.7 volume=0.473 peak=352 ppm1=7.859 ppm2=1.093 assign ( resid 109 and name HB ) ( resid 110 and name HN ) 3.5 1.7 0.7 volume=0.619 peak=1092 ppm1=1.784 ppm2=7.112 assign ( resid 93 and name HN ) ( resid 90 and name HN ) 4.0 2.2 0.8 volume=0.253 peak=127 ppm1=7.745 ppm2=9.122 assign ( resid 104 and name HG1 ) ( resid 104 and name HE2 or resid 104 and name HE1 ) 3.1 1.3 0.6 volume=1.311 peak=2113 ppm1=1.264 ppm2=2.779 assign ( resid 69 and name HN ) ( resid 68 and name HB1 ) 2.9 1.1 0.6 volume=1.905 peak=206 ppm1=8.410 ppm2=3.501 assign ( resid 68 and name HB2 ) ( resid 69 and name HN ) 3.9 2.1 0.8 volume=0.300 peak=1891 ppm1=3.341 ppm2=8.413 assign ( resid 102 and name HN ) ( resid 103 and name HN ) 3.1 1.3 0.6 volume=1.233 peak=534 ppm1=7.855 ppm2=7.220 assign ( resid 100 and name HB1 ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 4.5 2.7 0.9 volume=0.129 peak=1643 ppm1=3.368 ppm2=6.807 assign ( resid 66 and name HN ) ( resid 62 and name HB1 ) 3.5 1.7 0.7 volume=0.577 peak=450 ppm1=8.126 ppm2=3.232 assign ( resid 86 and name HN ) ( resid 85 and name HG1 ) 3.9 2.1 0.8 volume=0.291 peak=634 ppm1=8.203 ppm2=2.145 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 87 and name HA ) 3.6 1.8 0.7 volume=0.524 peak=2308 ppm1=1.359 ppm2=4.179 assign ( resid 77 and name HB1 ) ( resid 77 and name HN ) 3.4 1.6 0.7 volume=0.671 peak=1430 ppm1=1.432 ppm2=7.293 assign ( resid 61 and name HA2 ) ( resid 61 and name HA1 ) 4.7 2.9 0.9 volume=0.100 peak=945 ppm1=3.420 ppm2=4.534 assign ( resid 109 and name HG1# ) ( resid 108 and name HB2 ) 3.9 2.1 0.8 volume=0.300 peak=965 ppm1=0.311 ppm2=1.362 assign ( resid 72 and name HG12 ) ( resid 60 and name HE1 or resid 60 and name HE2 ) 4.2 2.4 0.8 volume=0.186 peak=1679 ppm1=0.774 ppm2=6.765 assign ( resid 90 and name HB1 ) ( resid 106 and name HD2 ) 3.3 1.5 0.7 volume=0.892 peak=1930 ppm1=3.257 ppm2=6.681 assign ( resid 79 and name HB2 or resid 79 and name HB1 ) ( resid 79 and name HN ) 3.6 1.8 0.7 volume=0.515 peak=1486 ppm1=1.815 ppm2=8.422 assign ( resid 109 and name HA ) ( resid 108 and name HN ) 4.1 2.3 0.8 volume=0.232 peak=1077 ppm1=3.771 ppm2=6.926 assign ( resid 74 and name HD1# ) ( resid 69 and name HD1 or resid 69 and name HD2 ) 3.7 1.9 0.7 volume=0.431 peak=1406 ppm1=1.042 ppm2=6.888 assign ( resid 93 and name HB2 ) ( resid 93 and name HA ) 3.3 1.5 0.7 volume=0.777 peak=2070 ppm1=2.750 ppm2=5.002 assign ( resid 102 and name HB2 ) ( resid 103 and name HN ) 3.9 2.1 0.8 volume=0.285 peak=2100 ppm1=2.723 ppm2=7.222 assign ( resid 72 and name HN ) ( resid 72 and name HG12 ) 3.2 1.4 0.6 volume=1.082 peak=296 ppm1=8.435 ppm2=0.800 assign ( resid 83 and name HN ) ( resid 82 and name HN ) 4.0 2.2 0.8 volume=0.264 peak=157 ppm1=7.741 ppm2=7.130 assign ( resid 80 and name HN ) ( resid 77 and name HD1# ) 3.9 2.1 0.8 volume=0.285 peak=549 ppm1=7.094 ppm2=0.737 assign ( resid 102 and name HN ) ( resid 100 and name HN ) 4.0 2.2 0.8 volume=0.252 peak=783 ppm1=7.848 ppm2=8.335 assign ( resid 68 and name HA ) ( resid 68 and name HB1 ) 3.7 1.9 0.7 volume=0.396 peak=1740 ppm1=5.123 ppm2=3.493 assign ( resid 72 and name HB ) ( resid 72 and name HD1# ) 2.8 1.0 0.6 volume=2.400 peak=865 ppm1=0.881 ppm2=0.580 assign ( resid 109 and name HG1# ) ( resid 106 and name HA ) 4.1 2.3 0.8 volume=0.227 peak=1946 ppm1=0.307 ppm2=4.045 assign ( resid 91 and name HA ) ( resid 92 and name HN ) 3.2 1.4 0.6 volume=1.045 peak=2110 ppm1=3.996 ppm2=8.367 assign ( resid 77 and name HB2 ) ( resid 77 and name HN ) 3.4 1.6 0.7 volume=0.748 peak=1455 ppm1=1.555 ppm2=7.295 assign ( resid 72 and name HN ) ( resid 72 and name HD1# ) 3.2 1.4 0.6 volume=1.020 peak=546 ppm1=8.437 ppm2=0.568 assign ( resid 80 and name HD2 or resid 80 and name HD1 ) ( resid 80 and name HB2 or resid 80 and name HB1 ) 2.3 0.5 0.5 volume=7.834 peak=883 ppm1=1.528 ppm2=1.702 assign ( resid 104 and name HG1 ) ( resid 105 and name HN ) 4.3 2.5 0.9 volume=0.166 peak=1987 ppm1=1.260 ppm2=7.548 assign ( resid 89 and name HA ) ( resid 90 and name HN ) 3.8 2.0 0.8 volume=0.341 peak=2162 ppm1=4.862 ppm2=9.146 assign ( resid 66 and name HN ) ( resid 64 and name HB2 or resid 64 and name HB1 ) 3.8 2.0 0.8 volume=0.332 peak=505 ppm1=8.116 ppm2=1.368 assign ( resid 78 and name HN ) ( resid 78 and name HA ) 2.9 1.1 0.6 volume=1.849 peak=360 ppm1=7.445 ppm2=3.972 assign ( resid 85 and name HN ) ( resid 84 and name HA2 or resid 84 and name HA1 ) 2.7 0.9 0.5 volume=2.586 peak=410 ppm1=7.942 ppm2=3.859 assign ( resid 87 and name HG2 ) ( resid 85 and name HG2 ) 4.3 2.5 0.9 volume=0.161 peak=2320 ppm1=1.202 ppm2=2.078 assign ( resid 80 and name HN ) ( resid 81 and name HN ) 2.9 1.1 0.6 volume=1.699 peak=123 ppm1=7.092 ppm2=7.615 assign ( resid 74 and name HD1# ) ( resid 74 and name HN ) 3.8 2.0 0.8 volume=0.366 peak=2055 ppm1=1.040 ppm2=6.400 assign ( resid 106 and name HA ) ( resid 109 and name HG1# ) 3.8 2.0 0.8 volume=0.341 peak=1671 ppm1=4.047 ppm2=0.320 assign ( resid 103 and name HB2 ) ( resid 104 and name HN ) 3.6 1.8 0.7 volume=0.454 peak=1349 ppm1=1.820 ppm2=8.123 assign ( resid 92 and name HN ) ( resid 91 and name HA ) 3.0 1.2 0.6 volume=1.355 peak=478 ppm1=8.369 ppm2=3.999 assign ( resid 107 and name HN ) ( resid 109 and name HN ) 3.9 2.1 0.8 volume=0.326 peak=375 ppm1=8.030 ppm2=7.802 assign ( resid 103 and name HD2# ) ( resid 88 and name HB2 ) 3.0 1.2 0.6 volume=1.436 peak=2375 ppm1=0.878 ppm2=2.746 assign ( resid 62 and name HB2 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.3 1.5 0.7 volume=0.785 peak=1198 ppm1=2.662 ppm2=0.880 assign ( resid 89 and name HN ) ( resid 103 and name HD1# ) 3.1 1.3 0.6 volume=1.170 peak=650 ppm1=8.393 ppm2=0.829 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 100 and name HB1 ) 3.5 1.7 0.7 volume=0.578 peak=53 ppm1=6.814 ppm2=3.356 assign ( resid 109 and name HG1# ) ( resid 108 and name HA ) 4.2 2.4 0.8 volume=0.187 peak=1724 ppm1=0.309 ppm2=3.936 assign ( resid 92 and name HA ) ( resid 92 and name HN ) 3.7 1.9 0.7 volume=0.453 peak=2106 ppm1=4.352 ppm2=8.364 assign ( resid 76 and name HN ) ( resid 73 and name HA ) 3.3 1.5 0.7 volume=0.910 peak=286 ppm1=8.458 ppm2=3.904 assign ( resid 87 and name HA ) ( resid 85 and name HG1 ) 4.4 2.6 0.9 volume=0.157 peak=2358 ppm1=4.197 ppm2=2.129 assign ( resid 106 and name HN ) ( resid 106 and name HB1 ) 2.6 0.8 0.5 volume=3.108 peak=752 ppm1=7.303 ppm2=2.586 assign ( resid 103 and name HA ) ( resid 103 and name HG ) 3.5 1.7 0.7 volume=0.543 peak=1216 ppm1=3.030 ppm2=1.304 assign ( resid 62 and name HN ) ( resid 75 and name HD2# ) 3.5 1.7 0.7 volume=0.546 peak=839 ppm1=8.874 ppm2=0.871 assign ( resid 66 and name HN ) ( resid 62 and name HN ) 4.1 2.3 0.8 volume=0.217 peak=859 ppm1=8.109 ppm2=8.880 assign ( resid 82 and name HN ) ( resid 82 and name HB1 ) 2.9 1.1 0.6 volume=1.870 peak=140 ppm1=7.138 ppm2=3.036 assign ( resid 90 and name HA ) ( resid 91 and name HN ) 4.6 2.8 0.9 volume=0.110 peak=1991 ppm1=4.425 ppm2=9.403 assign ( resid 79 and name HN ) ( resid 81 and name HN ) 3.6 1.8 0.7 volume=0.523 peak=600 ppm1=8.414 ppm2=7.641 assign ( resid 110 and name HN ) ( resid 109 and name HG2# ) 3.3 1.5 0.7 volume=0.844 peak=854 ppm1=7.119 ppm2=0.487 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 100 and name HA ) 3.2 1.4 0.6 volume=0.912 peak=79 ppm1=6.812 ppm2=3.195 assign ( resid 80 and name HA ) ( resid 80 and name HE1 ) 3.3 1.5 0.7 volume=0.875 peak=1412 ppm1=3.929 ppm2=2.793 assign ( resid 82 and name HN ) ( resid 82 and name HB2 ) 2.9 1.1 0.6 volume=1.813 peak=613 ppm1=7.139 ppm2=3.123 assign ( resid 104 and name HN ) ( resid 103 and name HA ) 3.5 1.7 0.7 volume=0.624 peak=246 ppm1=8.129 ppm2=3.031 assign ( resid 95 and name HB1 ) ( resid 95 and name HE2 or resid 95 and name HE1 ) 3.9 2.1 0.8 volume=0.303 peak=895 ppm1=1.261 ppm2=2.818 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 87 and name HG1 ) 2.6 0.8 0.5 volume=3.458 peak=2317 ppm1=1.359 ppm2=1.129 assign ( resid 106 and name HB2 ) ( resid 103 and name HA ) 3.4 1.6 0.7 volume=0.639 peak=1494 ppm1=2.824 ppm2=3.031 assign ( resid 78 and name HA ) ( resid 78 and name HB1 ) 3.1 1.3 0.6 volume=1.165 peak=1673 ppm1=3.990 ppm2=2.848 assign ( resid 64 and name HB2 ) ( resid 64 and name HG2 ) 3.3 1.5 0.7 volume=0.804 peak=1064 ppm1=1.391 ppm2=1.762 assign ( resid 78 and name HB2 ) ( resid 78 and name HB1 ) 3.5 1.7 0.7 volume=0.580 peak=1626 ppm1=3.195 ppm2=2.854 assign ( resid 103 and name HB1 ) ( resid 103 and name HD1# ) 3.3 1.5 0.7 volume=0.858 peak=2241 ppm1=1.131 ppm2=0.814 assign ( resid 60 and name HB1 ) ( resid 60 and name HB2 ) 3.2 1.4 0.6 volume=1.067 peak=2213 ppm1=2.844 ppm2=2.619 assign ( resid 68 and name HN ) ( resid 67 and name HB2 or resid 67 and name HB1 ) 2.9 1.1 0.6 volume=1.983 peak=467 ppm1=7.664 ppm2=1.214 assign ( resid 88 and name HB2 ) ( resid 88 and name HN ) 3.6 1.8 0.7 volume=0.468 peak=2380 ppm1=2.749 ppm2=8.311 assign ( resid 94 and name HA2 ) ( resid 94 and name HN ) 3.1 1.3 0.6 volume=1.162 peak=2004 ppm1=4.090 ppm2=8.296 assign ( resid 79 and name HA ) ( resid 79 and name HB2 or resid 79 and name HB1 ) 3.2 1.4 0.6 volume=1.075 peak=2151 ppm1=3.475 ppm2=1.812 assign ( resid 80 and name HB2 or resid 80 and name HB1 ) ( resid 80 and name HN ) 3.1 1.3 0.6 volume=1.265 peak=1569 ppm1=1.720 ppm2=7.101 assign ( resid 106 and name HB2 ) ( resid 97 and name HZ ) 4.3 2.5 0.9 volume=0.180 peak=1595 ppm1=2.808 ppm2=5.913 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 3.1 1.3 0.6 volume=1.223 peak=88 ppm1=6.683 ppm2=7.105 assign ( resid 100 and name HB2 ) ( resid 100 and name HB1 ) 2.7 0.9 0.5 volume=2.868 peak=1867 ppm1=3.529 ppm2=3.368 assign ( resid 62 and name HN ) ( resid 67 and name HB2 or resid 67 and name HB1 ) 4.2 2.4 0.8 volume=0.187 peak=658 ppm1=8.875 ppm2=1.217 assign ( resid 103 and name HD1# ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 3.5 1.7 0.7 volume=0.591 peak=1105 ppm1=0.807 ppm2=6.834 assign ( resid 96 and name HN ) ( resid 96 and name HD2# ) 3.2 1.4 0.6 volume=0.932 peak=603 ppm1=7.581 ppm2=0.701 assign ( resid 87 and name HA ) ( resid 85 and name HG2 ) 4.2 2.4 0.8 volume=0.202 peak=2324 ppm1=4.196 ppm2=2.082 assign ( resid 110 and name HB1 ) ( resid 107 and name HA ) 4.4 2.6 0.9 volume=0.154 peak=1434 ppm1=3.136 ppm2=3.448 assign ( resid 105 and name HN ) ( resid 104 and name HN ) 2.8 1.0 0.6 volume=2.131 peak=322 ppm1=7.547 ppm2=8.119 assign ( resid 61 and name HA2 ) ( resid 61 and name HN ) 3.8 2.0 0.8 volume=0.386 peak=912 ppm1=3.419 ppm2=8.403 assign ( resid 104 and name HG2 ) ( resid 104 and name HA ) 3.0 1.2 0.6 volume=1.344 peak=1872 ppm1=1.343 ppm2=3.914 assign ( resid 60 and name HB1 ) ( resid 60 and name HN ) 4.1 2.3 0.8 volume=0.232 peak=1476 ppm1=2.844 ppm2=7.715 assign ( resid 108 and name HD1# ) ( resid 108 and name HN ) 3.2 1.4 0.6 volume=1.012 peak=1459 ppm1=0.709 ppm2=6.923 assign ( resid 96 and name HD2# ) ( resid 89 and name HD2 ) 3.9 2.1 0.8 volume=0.327 peak=1505 ppm1=0.685 ppm2=2.942 assign ( resid 103 and name HB1 ) ( resid 103 and name HG ) 3.4 1.6 0.7 volume=0.637 peak=1672 ppm1=1.135 ppm2=1.298 assign ( resid 93 and name HN ) ( resid 94 and name HA2 ) 3.2 1.4 0.6 volume=0.949 peak=697 ppm1=7.743 ppm2=4.072 assign ( resid 69 and name HN ) ( resid 61 and name HA2 ) 3.0 1.2 0.6 volume=1.432 peak=430 ppm1=8.408 ppm2=3.430 assign ( resid 103 and name HB2 ) ( resid 97 and name HB1 ) 3.8 2.0 0.8 volume=0.334 peak=1331 ppm1=1.824 ppm2=2.672 assign ( resid 74 and name HA ) ( resid 74 and name HG ) 2.6 0.8 0.5 volume=3.551 peak=1390 ppm1=3.928 ppm2=1.548 assign ( resid 60 and name HB2 ) ( resid 60 and name HN ) 3.9 2.1 0.8 volume=0.294 peak=1122 ppm1=2.620 ppm2=7.710 assign ( resid 93 and name HA ) ( resid 93 and name HN ) 3.4 1.6 0.7 volume=0.742 peak=1002 ppm1=4.999 ppm2=7.748 assign ( resid 75 and name HD1# ) ( resid 69 and name HD1 or resid 69 and name HD2 ) 3.2 1.4 0.6 volume=1.016 peak=1529 ppm1=0.890 ppm2=6.892 assign ( resid 91 and name HN ) ( resid 93 and name HN ) 4.0 2.2 0.8 volume=0.282 peak=724 ppm1=9.400 ppm2=7.738 assign ( resid 95 and name HD1 ) ( resid 95 and name HN ) 3.6 1.8 0.7 volume=0.460 peak=1381 ppm1=1.347 ppm2=7.737 assign ( resid 104 and name HG2 ) ( resid 101 and name HA2 ) 4.2 2.4 0.8 volume=0.206 peak=2057 ppm1=1.345 ppm2=3.621 assign ( resid 91 and name HG1 ) ( resid 91 and name HB1 ) 2.5 0.7 0.5 volume=4.015 peak=2086 ppm1=2.260 ppm2=1.890 assign ( resid 105 and name HN ) ( resid 105 and name HG2 ) 2.5 0.7 0.5 volume=4.710 peak=593 ppm1=7.547 ppm2=1.583 assign ( resid 89 and name HB2 ) ( resid 89 and name HD1 ) 3.5 1.7 0.7 volume=0.563 peak=1577 ppm1=1.288 ppm2=2.959 assign ( resid 100 and name HB1 ) ( resid 88 and name HB2 ) 4.6 2.8 0.9 volume=0.109 peak=2386 ppm1=3.369 ppm2=2.782 assign ( resid 79 and name HA ) ( resid 82 and name HN ) 3.8 2.0 0.8 volume=0.348 peak=894 ppm1=3.479 ppm2=7.129 assign ( resid 103 and name HD2# ) ( resid 88 and name HN ) 3.7 1.9 0.7 volume=0.416 peak=2336 ppm1=0.878 ppm2=8.309 assign ( resid 103 and name HD1# ) ( resid 88 and name HB2 ) 2.8 1.0 0.6 volume=2.261 peak=2344 ppm1=0.808 ppm2=2.744 assign ( resid 89 and name HG1 or resid 89 and name HG2 ) ( resid 96 and name HD1# ) 3.1 1.3 0.6 volume=1.149 peak=1193 ppm1=1.102 ppm2=0.565 assign ( resid 103 and name HN ) ( resid 104 and name HN ) 2.8 1.0 0.6 volume=2.087 peak=787 ppm1=7.219 ppm2=8.131 assign ( resid 75 and name HN ) ( resid 76 and name HA ) 4.3 2.5 0.9 volume=0.174 peak=619 ppm1=7.049 ppm2=4.202 assign ( resid 60 and name HB2 ) ( resid 69 and name HN ) 4.0 2.2 0.8 volume=0.254 peak=1292 ppm1=2.625 ppm2=8.418 assign ( resid 95 and name HB1 ) ( resid 95 and name HG1 ) 2.9 1.1 0.6 volume=1.875 peak=2211 ppm1=1.282 ppm2=1.035 assign ( resid 64 and name HB2 ) ( resid 64 and name HN ) 3.7 1.9 0.7 volume=0.439 peak=1761 ppm1=1.388 ppm2=8.559 assign ( resid 108 and name HN ) ( resid 106 and name HA ) 3.7 1.9 0.7 volume=0.434 peak=156 ppm1=6.912 ppm2=4.095 assign ( resid 62 and name HN ) ( resid 62 and name HA ) 3.5 1.7 0.7 volume=0.540 peak=754 ppm1=8.877 ppm2=4.354 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=1.048 peak=42 ppm1=7.101 ppm2=0.878 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 102 and name HB2 ) 3.0 1.2 0.6 volume=1.555 peak=107 ppm1=7.102 ppm2=2.721 assign ( resid 87 and name HN ) ( resid 87 and name HA ) 3.3 1.5 0.7 volume=0.873 peak=2370 ppm1=7.710 ppm2=4.197 assign ( resid 89 and name HB1 ) ( resid 89 and name HN ) 3.6 1.8 0.7 volume=0.516 peak=2096 ppm1=1.597 ppm2=8.395 assign ( resid 97 and name HZ ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 3.8 2.0 0.8 volume=0.358 peak=50 ppm1=5.905 ppm2=7.103 assign ( resid 98 and name HG2# ) ( resid 87 and name HD2 ) 3.9 2.1 0.8 volume=0.290 peak=2360 ppm1=1.132 ppm2=2.857 assign ( resid 104 and name HN ) ( resid 107 and name HG2 ) 3.5 1.7 0.7 volume=0.631 peak=291 ppm1=8.130 ppm2=2.722 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 76 and name HN ) 3.4 1.6 0.7 volume=0.693 peak=2116 ppm1=2.568 ppm2=8.457 assign ( resid 103 and name HA ) ( resid 102 and name HB2 ) 3.4 1.6 0.7 volume=0.699 peak=1250 ppm1=3.031 ppm2=2.741 assign ( resid 60 and name HN ) ( resid 69 and name HN ) 3.4 1.6 0.7 volume=0.647 peak=861 ppm1=7.706 ppm2=8.418 assign ( resid 80 and name HD2 or resid 80 and name HD1 ) ( resid 80 and name HG2 ) 2.2 0.4 0.4 volume=10.651 peak=1775 ppm1=1.526 ppm2=1.266 assign ( resid 107 and name HG1 ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 4.2 2.4 0.8 volume=0.193 peak=1804 ppm1=2.646 ppm2=1.674 assign ( resid 71 and name HB1 ) ( resid 71 and name HG ) 3.8 2.0 0.8 volume=0.346 peak=1310 ppm1=1.344 ppm2=1.475 assign ( resid 75 and name HA ) ( resid 78 and name HB1 ) 4.0 2.2 0.8 volume=0.249 peak=994 ppm1=3.469 ppm2=2.858 assign ( resid 61 and name HN ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.4 1.6 0.7 volume=0.660 peak=453 ppm1=8.398 ppm2=0.862 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 88 and name HB1 ) 2.6 0.8 0.5 volume=3.485 peak=2307 ppm1=6.812 ppm2=2.631 assign ( resid 80 and name HN ) ( resid 80 and name HB2 or resid 80 and name HB1 ) 2.6 0.8 0.5 volume=3.184 peak=679 ppm1=7.092 ppm2=1.715 assign ( resid 68 and name HN ) ( resid 68 and name HA ) 3.6 1.8 0.7 volume=0.500 peak=117 ppm1=7.667 ppm2=5.115 assign ( resid 75 and name HB2 ) ( resid 75 and name HN ) 4.1 2.3 0.8 volume=0.217 peak=1932 ppm1=1.250 ppm2=7.054 assign ( resid 62 and name HB1 ) ( resid 62 and name HN ) 3.8 2.0 0.8 volume=0.351 peak=1961 ppm1=3.232 ppm2=8.882 assign ( resid 64 and name HN ) ( resid 64 and name HB1 ) 2.7 0.9 0.5 volume=2.684 peak=418 ppm1=8.555 ppm2=1.368 assign ( resid 96 and name HD2# ) ( resid 96 and name HN ) 3.5 1.7 0.7 volume=0.568 peak=1902 ppm1=0.687 ppm2=7.581 assign ( resid 107 and name HA ) ( resid 107 and name HG2 ) 3.2 1.4 0.6 volume=0.972 peak=1543 ppm1=3.453 ppm2=2.694 assign ( resid 70 and name HN ) ( resid 69 and name HA ) 3.8 2.0 0.8 volume=0.370 peak=312 ppm1=9.265 ppm2=4.519 assign ( resid 72 and name HD1# ) ( resid 60 and name HE1 or resid 60 and name HE2 ) 3.2 1.4 0.6 volume=1.043 peak=2101 ppm1=0.551 ppm2=6.757 assign ( resid 94 and name HN ) ( resid 89 and name HD1 or resid 89 and name HD2 ) 3.7 1.9 0.7 volume=0.407 peak=282 ppm1=8.295 ppm2=2.931 assign ( resid 96 and name HN ) ( resid 95 and name HA ) 2.4 0.6 0.5 volume=6.081 peak=330 ppm1=7.581 ppm2=3.840 assign ( resid 103 and name HD1# ) ( resid 90 and name HN ) 3.9 2.1 0.8 volume=0.301 peak=2121 ppm1=0.807 ppm2=9.127 assign ( resid 59 and name HD1 ) ( resid 59 and name HB1 ) 4.1 2.3 0.8 volume=0.223 peak=1253 ppm1=3.390 ppm2=0.922 assign ( resid 74 and name HD2# ) ( resid 76 and name HN ) 4.2 2.4 0.8 volume=0.201 peak=1812 ppm1=0.765 ppm2=8.431 assign ( resid 74 and name HD2# ) ( resid 74 and name HB1 ) 2.8 1.0 0.6 volume=2.089 peak=1947 ppm1=0.766 ppm2=1.292 assign ( resid 77 and name HG ) ( resid 77 and name HD2# ) 2.5 0.7 0.5 volume=4.019 peak=999 ppm1=1.547 ppm2=0.743 assign ( resid 110 and name HB2 ) ( resid 110 and name HN ) 3.5 1.7 0.7 volume=0.556 peak=2219 ppm1=3.030 ppm2=7.120 assign ( resid 101 and name HA1 ) ( resid 101 and name HN ) 3.5 1.7 0.7 volume=0.560 peak=1876 ppm1=3.573 ppm2=8.363 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 103 and name HD1# ) 3.0 1.2 0.6 volume=1.503 peak=84 ppm1=7.099 ppm2=0.814 assign ( resid 98 and name HG2# ) ( resid 98 and name HB ) 3.6 1.8 0.7 volume=0.509 peak=1756 ppm1=1.129 ppm2=4.343 assign ( resid 71 and name HN ) ( resid 71 and name HB2 ) 3.2 1.4 0.6 volume=0.935 peak=647 ppm1=6.746 ppm2=1.665 assign ( resid 72 and name HD1# ) ( resid 60 and name HB2 ) 3.9 2.1 0.8 volume=0.294 peak=2166 ppm1=0.551 ppm2=2.607 assign ( resid 88 and name HN ) ( resid 87 and name HB2 or resid 87 and name HB1 ) 2.9 1.1 0.6 volume=1.683 peak=2334 ppm1=8.309 ppm2=1.355 assign ( resid 106 and name HN ) ( resid 107 and name HN ) 2.8 1.0 0.6 volume=2.218 peak=595 ppm1=7.304 ppm2=8.023 assign ( resid 107 and name HE21 ) ( resid 103 and name HD2# ) 3.3 1.5 0.7 volume=0.826 peak=532 ppm1=7.491 ppm2=0.858 assign ( resid 80 and name HN ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 3.8 2.0 0.8 volume=0.333 peak=845 ppm1=7.094 ppm2=2.839 assign ( resid 71 and name HN ) ( resid 74 and name HN ) 4.1 2.3 0.8 volume=0.230 peak=481 ppm1=6.745 ppm2=6.406 assign ( resid 107 and name HE21 ) ( resid 107 and name HB1 ) 3.8 2.0 0.8 volume=0.365 peak=425 ppm1=7.497 ppm2=2.061 assign ( resid 110 and name HN ) ( resid 111 and name HN ) 2.9 1.1 0.6 volume=1.769 peak=533 ppm1=7.119 ppm2=7.600 assign ( resid 86 and name HA ) ( resid 96 and name HD1# ) 4.5 2.7 0.9 volume=0.138 peak=1850 ppm1=4.105 ppm2=0.575 assign ( resid 96 and name HD1# ) ( resid 89 and name HD1 ) 3.1 1.3 0.6 volume=1.165 peak=1617 ppm1=0.562 ppm2=2.961 assign ( resid 86 and name HA ) ( resid 86 and name HB# ) 2.6 0.8 0.5 volume=3.276 peak=1725 ppm1=4.103 ppm2=1.071 assign ( resid 97 and name HN ) ( resid 97 and name HA ) 2.8 1.0 0.6 volume=2.339 peak=287 ppm1=8.691 ppm2=4.685 assign ( resid 108 and name HB1 ) ( resid 108 and name HD2# ) 3.1 1.3 0.6 volume=1.222 peak=897 ppm1=1.587 ppm2=0.807 assign ( resid 77 and name HD1# ) ( resid 77 and name HA ) 2.7 0.9 0.5 volume=2.773 peak=1218 ppm1=0.713 ppm2=3.905 assign ( resid 60 and name HB2 ) ( resid 60 and name HB1 ) 3.5 1.7 0.7 volume=0.610 peak=1039 ppm1=2.619 ppm2=2.843 assign ( resid 98 and name HG2# ) ( resid 87 and name HB2 or resid 87 and name HB1 ) 3.0 1.2 0.6 volume=1.362 peak=2147 ppm1=1.133 ppm2=1.383 assign ( resid 97 and name HN ) ( resid 103 and name HD1# ) 3.7 1.9 0.7 volume=0.444 peak=513 ppm1=8.697 ppm2=0.838 assign ( resid 87 and name HA ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 3.9 2.1 0.8 volume=0.319 peak=2346 ppm1=4.188 ppm2=2.820 assign ( resid 87 and name HG2 ) ( resid 85 and name HB2 ) 3.6 1.8 0.7 volume=0.454 peak=2329 ppm1=1.197 ppm2=1.787 assign ( resid 82 and name HN ) ( resid 81 and name HA ) 3.1 1.3 0.6 volume=1.299 peak=566 ppm1=7.132 ppm2=3.940 assign ( resid 69 and name HN ) ( resid 75 and name HD2# ) 3.3 1.5 0.7 volume=0.880 peak=597 ppm1=8.414 ppm2=0.867 assign ( resid 82 and name HD2 ) ( resid 82 and name HB1 ) 2.9 1.1 0.6 volume=1.737 peak=83 ppm1=6.606 ppm2=3.012 assign ( resid 107 and name HN ) ( resid 106 and name HN ) 2.9 1.1 0.6 volume=1.971 peak=749 ppm1=8.027 ppm2=7.303 assign ( resid 91 and name HB2 ) ( resid 91 and name HG2 ) 2.4 0.6 0.5 volume=5.652 peak=978 ppm1=1.995 ppm2=2.223 assign ( resid 104 and name HD1 or resid 104 and name HD2 ) ( resid 104 and name HG2 ) 2.0 0.2 0.4 volume=15.229 peak=1224 ppm1=1.487 ppm2=1.342 assign ( resid 98 and name HG2# ) ( resid 87 and name HD1 ) 4.1 2.3 0.8 volume=0.243 peak=2304 ppm1=1.131 ppm2=2.918 assign ( resid 89 and name HG1 or resid 89 and name HG2 ) ( resid 90 and name HN ) 4.0 2.2 0.8 volume=0.268 peak=1164 ppm1=1.098 ppm2=9.136 assign ( resid 60 and name HB2 ) ( resid 75 and name HD2# ) 3.2 1.4 0.6 volume=1.012 peak=1500 ppm1=2.620 ppm2=0.856 assign ( resid 108 and name HD1# ) ( resid 108 and name HB2 ) 2.4 0.6 0.5 volume=5.285 peak=1222 ppm1=0.705 ppm2=1.359 assign ( resid 96 and name HD1# ) ( resid 95 and name HN ) 4.2 2.4 0.8 volume=0.208 peak=1079 ppm1=0.560 ppm2=7.738 assign ( resid 75 and name HD2# ) ( resid 75 and name HA ) 3.8 2.0 0.8 volume=0.365 peak=1809 ppm1=0.846 ppm2=3.465 assign ( resid 108 and name HN ) ( resid 108 and name HD1# ) 3.0 1.2 0.6 volume=1.431 peak=427 ppm1=6.917 ppm2=0.750 assign ( resid 95 and name HE2 or resid 95 and name HE1 ) ( resid 95 and name HG1 ) 2.8 1.0 0.6 volume=2.349 peak=1265 ppm1=2.819 ppm2=1.032 assign ( resid 109 and name HG1# ) ( resid 110 and name HB2 ) 4.6 2.8 0.9 volume=0.121 peak=2160 ppm1=0.310 ppm2=3.028 assign ( resid 103 and name HA ) ( resid 102 and name HB1 ) 3.3 1.5 0.7 volume=0.807 peak=1823 ppm1=3.034 ppm2=2.796 assign ( resid 78 and name HB1 ) ( resid 78 and name HN ) 3.5 1.7 0.7 volume=0.609 peak=2005 ppm1=2.862 ppm2=7.453 assign ( resid 60 and name HN ) ( resid 69 and name HB2 ) 3.6 1.8 0.7 volume=0.494 peak=584 ppm1=7.721 ppm2=3.065 assign ( resid 77 and name HA ) ( resid 77 and name HN ) 3.2 1.4 0.6 volume=1.051 peak=1571 ppm1=3.901 ppm2=7.291 assign ( resid 60 and name HE1 or resid 60 and name HE2 ) ( resid 60 and name HB1 ) 3.6 1.8 0.7 volume=0.476 peak=71 ppm1=6.750 ppm2=2.836 assign ( resid 65 and name HN ) ( resid 64 and name HG2 ) 3.6 1.8 0.7 volume=0.533 peak=192 ppm1=7.858 ppm2=1.759 assign ( resid 96 and name HD1# ) ( resid 96 and name HA ) 3.8 2.0 0.8 volume=0.337 peak=1868 ppm1=0.562 ppm2=4.766 assign ( resid 111 and name HN ) ( resid 110 and name HN ) 2.9 1.1 0.6 volume=1.766 peak=797 ppm1=7.584 ppm2=7.117 assign ( resid 103 and name HD1# ) ( resid 106 and name HB2 ) 3.2 1.4 0.6 volume=0.948 peak=1106 ppm1=0.810 ppm2=2.817 assign ( resid 74 and name HN ) ( resid 73 and name HN ) 3.8 2.0 0.8 volume=0.383 peak=576 ppm1=6.398 ppm2=8.002 assign ( resid 76 and name HA ) ( resid 76 and name HB2 or resid 76 and name HB1 ) 3.2 1.4 0.6 volume=1.035 peak=1189 ppm1=4.202 ppm2=2.569 assign ( resid 110 and name HD2 ) ( resid 107 and name HA ) 2.7 0.9 0.5 volume=2.653 peak=10 ppm1=6.614 ppm2=3.454 assign ( resid 78 and name HA ) ( resid 81 and name HB1 ) 3.3 1.5 0.7 volume=0.797 peak=1288 ppm1=3.991 ppm2=1.361 assign ( resid 106 and name HB1 ) ( resid 106 and name HD2 ) 3.6 1.8 0.7 volume=0.520 peak=1460 ppm1=2.584 ppm2=6.677 assign ( resid 89 and name HG1 or resid 89 and name HG2 ) ( resid 89 and name HD1 ) 2.9 1.1 0.6 volume=1.743 peak=1532 ppm1=1.101 ppm2=2.960 assign ( resid 107 and name HG2 ) ( resid 107 and name HA ) 3.4 1.6 0.7 volume=0.687 peak=1181 ppm1=2.698 ppm2=3.449 assign ( resid 75 and name HN ) ( resid 75 and name HA ) 3.4 1.6 0.7 volume=0.639 peak=725 ppm1=7.049 ppm2=3.458 assign ( resid 94 and name HA2 ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 3.5 1.7 0.7 volume=0.592 peak=1985 ppm1=4.087 ppm2=1.090 assign ( resid 105 and name HG2 ) ( resid 105 and name HG1 ) 2.0 0.2 0.4 volume=14.482 peak=2087 ppm1=1.569 ppm2=1.443 assign ( resid 62 and name HN ) ( resid 61 and name HA1 ) 3.2 1.4 0.6 volume=1.096 peak=266 ppm1=8.872 ppm2=4.529 assign ( resid 63 and name HB2 ) ( resid 63 and name HA ) 3.0 1.2 0.6 volume=1.338 peak=1103 ppm1=1.943 ppm2=4.010 assign ( resid 65 and name HB1 ) ( resid 65 and name HN ) 3.0 1.2 0.6 volume=1.629 peak=2244 ppm1=2.749 ppm2=7.857 assign ( resid 108 and name HB1 ) ( resid 108 and name HN ) 3.3 1.5 0.7 volume=0.814 peak=2026 ppm1=1.587 ppm2=6.922 assign ( resid 96 and name HD1# ) ( resid 96 and name HD2# ) 2.2 0.4 0.4 volume=10.853 peak=2178 ppm1=0.564 ppm2=0.686 assign ( resid 107 and name HB1 ) ( resid 103 and name HD1# ) 4.1 2.3 0.8 volume=0.239 peak=1317 ppm1=2.060 ppm2=0.824 assign ( resid 104 and name HG2 ) ( resid 104 and name HN ) 3.6 1.8 0.7 volume=0.500 peak=988 ppm1=1.345 ppm2=8.129 assign ( resid 78 and name HB1 ) ( resid 79 and name HN ) 4.1 2.3 0.8 volume=0.214 peak=1709 ppm1=2.854 ppm2=8.416 assign ( resid 97 and name HN ) ( resid 96 and name HD2# ) 3.7 1.9 0.7 volume=0.401 peak=631 ppm1=8.693 ppm2=0.708 assign ( resid 102 and name HB1 ) ( resid 99 and name HB ) 4.3 2.5 0.9 volume=0.159 peak=1293 ppm1=2.819 ppm2=4.310 assign ( resid 66 and name HN ) ( resid 66 and name HA2 ) 3.0 1.2 0.6 volume=1.468 peak=458 ppm1=8.121 ppm2=3.681 assign ( resid 90 and name HB2 ) ( resid 103 and name HD1# ) 3.1 1.3 0.6 volume=1.136 peak=2195 ppm1=2.728 ppm2=0.820 assign ( resid 87 and name HG1 ) ( resid 88 and name HN ) 4.0 2.2 0.8 volume=0.260 peak=2371 ppm1=1.129 ppm2=8.301 assign ( resid 107 and name HG1 ) ( resid 107 and name HB1 ) 3.3 1.5 0.7 volume=0.765 peak=2289 ppm1=2.641 ppm2=2.059 assign ( resid 66 and name HN ) ( resid 62 and name HB2 ) 3.7 1.9 0.7 volume=0.425 peak=706 ppm1=8.124 ppm2=2.684 assign ( resid 103 and name HD1# ) ( resid 103 and name HB1 ) 2.8 1.0 0.6 volume=2.264 peak=1335 ppm1=0.810 ppm2=1.130 assign ( resid 109 and name HG1# ) ( resid 108 and name HB1 ) 3.8 2.0 0.8 volume=0.368 peak=1485 ppm1=0.309 ppm2=1.621 assign ( resid 87 and name HA ) ( resid 88 and name HN ) 3.1 1.3 0.6 volume=1.142 peak=2297 ppm1=4.187 ppm2=8.299 assign ( resid 100 and name HA ) ( resid 103 and name HN ) 3.8 2.0 0.8 volume=0.372 peak=1357 ppm1=3.214 ppm2=7.224 assign ( resid 59 and name HD1 ) ( resid 59 and name HB2 ) 3.9 2.1 0.8 volume=0.315 peak=1383 ppm1=3.391 ppm2=0.981 assign ( resid 85 and name HB1 ) ( resid 85 and name HN ) 3.8 2.0 0.8 volume=0.364 peak=2097 ppm1=1.858 ppm2=7.938 assign ( resid 59 and name HD2 ) ( resid 59 and name HG1 ) 3.4 1.6 0.7 volume=0.696 peak=1046 ppm1=3.433 ppm2=1.805 assign ( resid 106 and name HD2 ) ( resid 90 and name HB2 ) 2.7 0.9 0.5 volume=2.748 peak=15 ppm1=6.681 ppm2=2.727 assign ( resid 62 and name HN ) ( resid 67 and name HN ) 3.8 2.0 0.8 volume=0.338 peak=780 ppm1=8.874 ppm2=7.834 assign ( resid 75 and name HN ) ( resid 69 and name HB2 ) 3.6 1.8 0.7 volume=0.504 peak=692 ppm1=7.048 ppm2=3.081 assign ( resid 59 and name HB1 ) ( resid 59 and name HA ) 4.0 2.2 0.8 volume=0.255 peak=1454 ppm1=0.915 ppm2=4.065 assign ( resid 102 and name HN ) ( resid 102 and name HB2 ) 3.0 1.2 0.6 volume=1.453 peak=862 ppm1=7.855 ppm2=2.737 assign ( resid 62 and name HN ) ( resid 61 and name HN ) 3.6 1.8 0.7 volume=0.485 peak=172 ppm1=8.882 ppm2=8.408 assign ( resid 91 and name HA ) ( resid 91 and name HB2 ) 2.5 0.7 0.5 volume=4.041 peak=1452 ppm1=3.998 ppm2=1.998 assign ( resid 102 and name HN ) ( resid 102 and name HB1 ) 3.2 1.4 0.6 volume=1.022 peak=815 ppm1=7.853 ppm2=2.825 assign ( resid 97 and name HN ) ( resid 96 and name HD1# ) 3.3 1.5 0.7 volume=0.852 peak=636 ppm1=8.695 ppm2=0.567 assign ( resid 77 and name HB1 ) ( resid 78 and name HN ) 3.9 2.1 0.8 volume=0.292 peak=1524 ppm1=1.433 ppm2=7.448 assign ( resid 109 and name HG1# ) ( resid 109 and name HN ) 2.8 1.0 0.6 volume=2.269 peak=1270 ppm1=0.307 ppm2=7.818 assign ( resid 106 and name HB1 ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 4.5 2.7 0.9 volume=0.136 peak=1034 ppm1=2.582 ppm2=7.127 assign ( resid 69 and name HB1 ) ( resid 74 and name HB2 ) 4.3 2.5 0.9 volume=0.181 peak=1081 ppm1=2.521 ppm2=1.762 assign ( resid 107 and name HA ) ( resid 107 and name HB1 ) 3.2 1.4 0.6 volume=1.069 peak=1450 ppm1=3.453 ppm2=2.059 assign ( resid 95 and name HN ) ( resid 89 and name HB1 ) 3.7 1.9 0.7 volume=0.411 peak=720 ppm1=7.734 ppm2=1.599 assign ( resid 85 and name HN ) ( resid 85 and name HA ) 3.0 1.2 0.6 volume=1.416 peak=767 ppm1=7.944 ppm2=4.068 assign ( resid 89 and name HN ) ( resid 88 and name HB1 ) 3.4 1.6 0.7 volume=0.670 peak=547 ppm1=8.391 ppm2=2.655 assign ( resid 97 and name HN ) ( resid 88 and name HA ) 3.8 2.0 0.8 volume=0.343 peak=331 ppm1=8.694 ppm2=4.466 assign ( resid 95 and name HB1 ) ( resid 95 and name HB2 ) 2.5 0.7 0.5 volume=4.506 peak=1633 ppm1=1.267 ppm2=1.194 assign ( resid 95 and name HA ) ( resid 96 and name HN ) 2.5 0.7 0.5 volume=4.317 peak=868 ppm1=3.841 ppm2=7.579 assign ( resid 78 and name HD2 ) ( resid 78 and name HB1 ) 3.4 1.6 0.7 volume=0.740 peak=32 ppm1=6.723 ppm2=2.841 assign ( resid 107 and name HE21 ) ( resid 91 and name HN ) 4.0 2.2 0.8 volume=0.273 peak=177 ppm1=7.494 ppm2=9.408 assign ( resid 75 and name HD1# ) ( resid 62 and name HA ) 4.4 2.6 0.9 volume=0.155 peak=880 ppm1=0.890 ppm2=4.335 assign ( resid 71 and name HD2# ) ( resid 73 and name HN ) 4.3 2.5 0.9 volume=0.182 peak=1705 ppm1=0.806 ppm2=7.987 assign ( resid 105 and name HN ) ( resid 106 and name HN ) 2.8 1.0 0.6 volume=2.355 peak=648 ppm1=7.548 ppm2=7.304 assign ( resid 104 and name HB1 or resid 104 and name HB2 ) ( resid 104 and name HE2 or resid 104 and name HE1 ) 3.5 1.7 0.7 volume=0.610 peak=1139 ppm1=1.678 ppm2=2.786 assign ( resid 97 and name HB1 ) ( resid 103 and name HN ) 3.8 2.0 0.8 volume=0.331 peak=1773 ppm1=2.660 ppm2=7.201 assign ( resid 104 and name HN ) ( resid 103 and name HB2 ) 2.9 1.1 0.6 volume=1.756 peak=556 ppm1=8.127 ppm2=1.829 assign ( resid 77 and name HN ) ( resid 74 and name HA ) 2.8 1.0 0.6 volume=2.205 peak=594 ppm1=7.293 ppm2=3.942 assign ( resid 81 and name HN ) ( resid 79 and name HA ) 3.6 1.8 0.7 volume=0.482 peak=457 ppm1=7.634 ppm2=3.481 assign ( resid 104 and name HN ) ( resid 101 and name HN ) 3.7 1.9 0.7 volume=0.404 peak=401 ppm1=8.122 ppm2=8.374 assign ( resid 104 and name HG1 ) ( resid 104 and name HA ) 3.5 1.7 0.7 volume=0.566 peak=1197 ppm1=1.265 ppm2=3.914 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 74 and name HD2# ) 3.5 1.7 0.7 volume=0.564 peak=56 ppm1=6.140 ppm2=0.778 assign ( resid 94 and name HA1 ) ( resid 95 and name HN ) 3.4 1.6 0.7 volume=0.639 peak=1396 ppm1=3.574 ppm2=7.744 assign ( resid 103 and name HB1 ) ( resid 88 and name HB2 ) 4.0 2.2 0.8 volume=0.261 peak=2363 ppm1=1.132 ppm2=2.749 assign ( resid 95 and name HB1 ) ( resid 95 and name HD1 ) 2.7 0.9 0.5 volume=3.002 peak=1841 ppm1=1.272 ppm2=1.344 assign ( resid 109 and name HN ) ( resid 110 and name HB2 ) 3.8 2.0 0.8 volume=0.351 peak=772 ppm1=7.807 ppm2=2.997 assign ( resid 94 and name HA1 ) ( resid 89 and name HD1 ) 3.8 2.0 0.8 volume=0.372 peak=1441 ppm1=3.576 ppm2=2.957 assign ( resid 100 and name HB2 ) ( resid 100 and name HN ) 4.0 2.2 0.8 volume=0.259 peak=1674 ppm1=3.527 ppm2=8.329 assign ( resid 107 and name HG1 ) ( resid 103 and name HG ) 3.8 2.0 0.8 volume=0.375 peak=1371 ppm1=2.640 ppm2=1.297 assign ( resid 91 and name HG2 ) ( resid 91 and name HB1 ) 2.7 0.9 0.5 volume=3.008 peak=1951 ppm1=2.219 ppm2=1.890 assign ( resid 88 and name HN ) ( resid 87 and name HG1 ) 3.1 1.3 0.6 volume=1.157 peak=2338 ppm1=8.307 ppm2=1.134 assign ( resid 64 and name HA ) ( resid 65 and name HN ) 4.4 2.6 0.9 volume=0.140 peak=2225 ppm1=4.113 ppm2=7.844 assign ( resid 82 and name HE1 ) ( resid 65 and name HB2 ) 3.2 1.4 0.6 volume=1.068 peak=109 ppm1=7.871 ppm2=3.274 assign ( resid 89 and name HD1 ) ( resid 96 and name HD2# ) 3.7 1.9 0.7 volume=0.415 peak=1638 ppm1=2.961 ppm2=0.685 assign ( resid 107 and name HE21 ) ( resid 90 and name HA ) 3.7 1.9 0.7 volume=0.387 peak=514 ppm1=7.494 ppm2=4.428 assign ( resid 88 and name HN ) ( resid 97 and name HN ) 3.3 1.5 0.7 volume=0.885 peak=2332 ppm1=8.307 ppm2=8.698 assign ( resid 100 and name HA ) ( resid 103 and name HB1 ) 3.7 1.9 0.7 volume=0.446 peak=1305 ppm1=3.216 ppm2=1.134 assign ( resid 108 and name HB2 ) ( resid 108 and name HN ) 3.5 1.7 0.7 volume=0.598 peak=2027 ppm1=1.349 ppm2=6.921 assign ( resid 107 and name HE21 ) ( resid 107 and name HB2 ) 3.8 2.0 0.8 volume=0.338 peak=747 ppm1=7.494 ppm2=2.122 assign ( resid 72 and name HG11 ) ( resid 72 and name HN ) 4.3 2.5 0.9 volume=0.162 peak=1696 ppm1=0.712 ppm2=8.450 assign ( resid 103 and name HB1 ) ( resid 104 and name HN ) 4.0 2.2 0.8 volume=0.244 peak=899 ppm1=1.139 ppm2=8.123 assign ( resid 107 and name HG2 ) ( resid 104 and name HA ) 3.9 2.1 0.8 volume=0.289 peak=1604 ppm1=2.694 ppm2=3.904 assign ( resid 107 and name HB2 ) ( resid 107 and name HG2 ) 3.3 1.5 0.7 volume=0.879 peak=2274 ppm1=2.128 ppm2=2.694 assign ( resid 80 and name HE2 or resid 80 and name HE1 ) ( resid 80 and name HG2 ) 2.5 0.7 0.5 volume=4.836 peak=1223 ppm1=2.821 ppm2=1.265 assign ( resid 100 and name HA ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 3.9 2.1 0.8 volume=0.324 peak=926 ppm1=3.214 ppm2=6.811 assign ( resid 74 and name HD2# ) ( resid 74 and name HG ) 2.7 0.9 0.5 volume=3.100 peak=957 ppm1=0.763 ppm2=1.551 assign ( resid 82 and name HB1 ) ( resid 82 and name HN ) 3.3 1.5 0.7 volume=0.823 peak=1021 ppm1=3.013 ppm2=7.139 assign ( resid 63 and name HB1 ) ( resid 63 and name HN ) 4.3 2.5 0.9 volume=0.159 peak=937 ppm1=2.003 ppm2=9.632 assign ( resid 89 and name HN ) ( resid 89 and name HA ) 3.1 1.3 0.6 volume=1.115 peak=740 ppm1=8.393 ppm2=4.850 assign ( resid 90 and name HB2 ) ( resid 95 and name HN ) 3.4 1.6 0.7 volume=0.660 peak=1149 ppm1=2.730 ppm2=7.736 assign ( resid 96 and name HD1# ) ( resid 90 and name HN ) 3.9 2.1 0.8 volume=0.299 peak=1866 ppm1=0.563 ppm2=9.130 assign ( resid 74 and name HA ) ( resid 74 and name HB2 ) 2.9 1.1 0.6 volume=1.676 peak=2183 ppm1=3.928 ppm2=1.740 assign ( resid 102 and name HA ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 4.1 2.3 0.8 volume=0.230 peak=1795 ppm1=4.336 ppm2=3.059 assign ( resid 106 and name HB2 ) ( resid 106 and name HA ) 3.6 1.8 0.7 volume=0.497 peak=1136 ppm1=2.821 ppm2=4.050 assign ( resid 102 and name HN ) ( resid 104 and name HN ) 4.0 2.2 0.8 volume=0.266 peak=578 ppm1=7.854 ppm2=8.120 assign ( resid 96 and name HN ) ( resid 90 and name HN ) 4.4 2.6 0.9 volume=0.148 peak=488 ppm1=7.589 ppm2=9.115 assign ( resid 99 and name HG2# ) ( resid 99 and name HN ) 3.6 1.8 0.7 volume=0.503 peak=1313 ppm1=1.080 ppm2=7.059 assign ( resid 71 and name HD1# ) ( resid 71 and name HG ) 2.7 0.9 0.5 volume=3.043 peak=983 ppm1=0.918 ppm2=1.471 assign ( resid 67 and name HB2 or resid 67 and name HB1 ) ( resid 67 and name HA ) 3.5 1.7 0.7 volume=0.577 peak=902 ppm1=1.216 ppm2=3.938 assign ( resid 76 and name HA ) ( resid 77 and name HN ) 3.9 2.1 0.8 volume=0.289 peak=1682 ppm1=4.203 ppm2=7.291 assign ( resid 95 and name HB1 ) ( resid 95 and name HG2 ) 2.8 1.0 0.6 volume=2.216 peak=935 ppm1=1.270 ppm2=1.405 assign ( resid 109 and name HG1# ) ( resid 107 and name HA ) 4.2 2.4 0.8 volume=0.185 peak=1759 ppm1=0.307 ppm2=3.463 assign ( resid 78 and name HN ) ( resid 80 and name HN ) 3.6 1.8 0.7 volume=0.502 peak=429 ppm1=7.447 ppm2=7.092 assign ( resid 102 and name HB2 ) ( resid 97 and name HB2 ) 4.1 2.3 0.8 volume=0.229 peak=1325 ppm1=2.719 ppm2=3.100 assign ( resid 112 and name HN ) ( resid 109 and name HA ) 3.1 1.3 0.6 volume=1.164 peak=222 ppm1=7.867 ppm2=3.768 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 69 and name HB2 ) 3.3 1.5 0.7 volume=0.889 peak=38 ppm1=6.904 ppm2=3.056 assign ( resid 99 and name HB ) ( resid 99 and name HG2# ) 3.3 1.5 0.7 volume=0.813 peak=1042 ppm1=4.300 ppm2=1.080 assign ( resid 75 and name HN ) ( resid 75 and name HD2# ) 3.2 1.4 0.6 volume=1.092 peak=642 ppm1=7.049 ppm2=0.869 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 88 and name HN ) 3.7 1.9 0.7 volume=0.414 peak=2382 ppm1=1.358 ppm2=8.301 assign ( resid 96 and name HD1# ) ( resid 95 and name HA ) 4.2 2.4 0.8 volume=0.196 peak=2189 ppm1=0.560 ppm2=3.853 assign ( resid 75 and name HN ) ( resid 74 and name HD1# ) 3.7 1.9 0.7 volume=0.403 peak=372 ppm1=7.048 ppm2=1.060 assign ( resid 107 and name HG2 ) ( resid 107 and name HG1 ) 2.4 0.6 0.5 volume=5.958 peak=1585 ppm1=2.696 ppm2=2.639 assign ( resid 105 and name HB2 or resid 105 and name HB1 ) ( resid 106 and name HN ) 3.3 1.5 0.7 volume=0.861 peak=1380 ppm1=1.670 ppm2=7.308 assign ( resid 98 and name HG2# ) ( resid 85 and name HB1 ) 4.1 2.3 0.8 volume=0.242 peak=1114 ppm1=1.136 ppm2=1.851 assign ( resid 72 and name HA ) ( resid 72 and name HN ) 3.6 1.8 0.7 volume=0.460 peak=1447 ppm1=3.155 ppm2=8.441 assign ( resid 75 and name HD2# ) ( resid 60 and name HN ) 4.1 2.3 0.8 volume=0.226 peak=1890 ppm1=0.846 ppm2=7.708 assign ( resid 69 and name HB2 ) ( resid 74 and name HD1# ) 4.9 3.1 1.0 volume=0.080 peak=991 ppm1=3.057 ppm2=1.048 assign ( resid 95 and name HN ) ( resid 90 and name HB2 ) 3.0 1.2 0.6 volume=1.384 peak=449 ppm1=7.735 ppm2=2.744 assign ( resid 92 and name HN ) ( resid 92 and name HA ) 2.6 0.8 0.5 volume=3.506 peak=633 ppm1=8.368 ppm2=4.356 assign ( resid 109 and name HG2# ) ( resid 109 and name HB ) 2.6 0.8 0.5 volume=3.878 peak=1296 ppm1=0.486 ppm2=1.785 assign ( resid 103 and name HD1# ) ( resid 97 and name HN ) 4.7 2.9 0.9 volume=0.096 peak=2290 ppm1=0.807 ppm2=8.706 assign ( resid 95 and name HG1 ) ( resid 95 and name HG2 ) 2.5 0.7 0.5 volume=4.749 peak=1749 ppm1=1.028 ppm2=1.416 assign ( resid 105 and name HA ) ( resid 106 and name HN ) 3.7 1.9 0.7 volume=0.446 peak=1429 ppm1=3.847 ppm2=7.309 assign ( resid 75 and name HD2# ) ( resid 60 and name HB1 ) 3.3 1.5 0.7 volume=0.873 peak=1031 ppm1=0.845 ppm2=2.842 assign ( resid 75 and name HA ) ( resid 75 and name HD1# ) 3.3 1.5 0.7 volume=0.778 peak=970 ppm1=3.466 ppm2=0.891 assign ( resid 109 and name HA ) ( resid 110 and name HN ) 3.7 1.9 0.7 volume=0.391 peak=1341 ppm1=3.774 ppm2=7.118 assign ( resid 77 and name HD1# ) ( resid 77 and name HN ) 3.4 1.6 0.7 volume=0.724 peak=1957 ppm1=0.715 ppm2=7.290 assign ( resid 78 and name HN ) ( resid 77 and name HB1 ) 3.0 1.2 0.6 volume=1.393 peak=415 ppm1=7.444 ppm2=1.420 assign ( resid 95 and name HA ) ( resid 96 and name HD1# ) 4.0 2.2 0.8 volume=0.248 peak=1009 ppm1=3.849 ppm2=0.573 assign ( resid 76 and name HD22 ) ( resid 76 and name HD21 ) 2.6 0.8 0.5 volume=3.602 peak=758 ppm1=6.586 ppm2=7.305 assign ( resid 107 and name HG1 ) ( resid 104 and name HA ) 3.9 2.1 0.8 volume=0.303 peak=1404 ppm1=2.638 ppm2=3.902 assign ( resid 69 and name HN ) ( resid 69 and name HB2 ) 3.4 1.6 0.7 volume=0.652 peak=307 ppm1=8.415 ppm2=3.055 assign ( resid 75 and name HA ) ( resid 74 and name HB2 ) 4.1 2.3 0.8 volume=0.227 peak=2017 ppm1=3.468 ppm2=1.732 assign ( resid 88 and name HB1 ) ( resid 103 and name HB2 ) 4.0 2.2 0.8 volume=0.247 peak=2367 ppm1=2.630 ppm2=1.827 assign ( resid 75 and name HD2# ) ( resid 79 and name HE2 ) 3.5 1.7 0.7 volume=0.634 peak=1554 ppm1=0.848 ppm2=2.950 assign ( resid 89 and name HB1 ) ( resid 89 and name HA ) 4.4 2.6 0.9 volume=0.140 peak=1829 ppm1=1.598 ppm2=4.848 assign ( resid 91 and name HB2 ) ( resid 91 and name HA ) 2.9 1.1 0.6 volume=1.800 peak=1098 ppm1=1.994 ppm2=4.002 assign ( resid 104 and name HN ) ( resid 101 and name HA2 ) 3.6 1.8 0.7 volume=0.460 peak=129 ppm1=8.129 ppm2=3.641 assign ( resid 93 and name HA ) ( resid 92 and name HN ) 3.8 2.0 0.8 volume=0.354 peak=1249 ppm1=5.002 ppm2=8.369 assign ( resid 90 and name HN ) ( resid 95 and name HN ) 3.6 1.8 0.7 volume=0.521 peak=863 ppm1=9.129 ppm2=7.731 assign ( resid 102 and name HB1 ) ( resid 102 and name HD22 ) 3.7 1.9 0.7 volume=0.438 peak=1778 ppm1=2.821 ppm2=7.017 assign ( resid 97 and name HN ) ( resid 103 and name HD2# ) 3.7 1.9 0.7 volume=0.444 peak=362 ppm1=8.698 ppm2=0.888 assign ( resid 96 and name HB2 ) ( resid 96 and name HB1 ) 2.7 0.9 0.5 volume=2.993 peak=1135 ppm1=1.056 ppm2=1.317 assign ( resid 104 and name HN ) ( resid 100 and name HA ) 3.5 1.7 0.7 volume=0.545 peak=243 ppm1=8.130 ppm2=3.209 assign ( resid 104 and name HG2 ) ( resid 105 and name HN ) 3.9 2.1 0.8 volume=0.327 peak=2109 ppm1=1.346 ppm2=7.554 assign ( resid 71 and name HD1# ) ( resid 74 and name HN ) 4.2 2.4 0.8 volume=0.193 peak=1453 ppm1=0.918 ppm2=6.399 assign ( resid 103 and name HB1 ) ( resid 103 and name HA ) 3.8 2.0 0.8 volume=0.362 peak=1767 ppm1=1.131 ppm2=3.037 assign ( resid 103 and name HN ) ( resid 102 and name HB1 ) 3.2 1.4 0.6 volume=1.074 peak=128 ppm1=7.218 ppm2=2.828 assign ( resid 104 and name HA ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 2.5 0.7 0.5 volume=4.781 peak=1045 ppm1=3.914 ppm2=1.678 assign ( resid 88 and name HN ) ( resid 87 and name HA ) 2.7 0.9 0.5 volume=2.736 peak=2315 ppm1=8.307 ppm2=4.177 assign ( resid 91 and name HN ) ( resid 91 and name HB2 ) 3.3 1.5 0.7 volume=0.854 peak=748 ppm1=9.395 ppm2=2.013 assign ( resid 82 and name HB1 ) ( resid 79 and name HA ) 3.7 1.9 0.7 volume=0.413 peak=1244 ppm1=3.015 ppm2=3.452 assign ( resid 103 and name HD2# ) ( resid 103 and name HA ) 3.5 1.7 0.7 volume=0.584 peak=1090 ppm1=0.874 ppm2=3.035 assign ( resid 63 and name HG2 or resid 63 and name HG1 ) ( resid 64 and name HN ) 4.1 2.3 0.8 volume=0.215 peak=2083 ppm1=2.260 ppm2=8.558 assign ( resid 110 and name HB2 ) ( resid 107 and name HA ) 4.0 2.2 0.8 volume=0.270 peak=1935 ppm1=3.032 ppm2=3.448 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 87 and name HD2 ) 3.4 1.6 0.7 volume=0.678 peak=2378 ppm1=1.356 ppm2=2.846 assign ( resid 86 and name HA ) ( resid 87 and name HN ) 2.9 1.1 0.6 volume=1.833 peak=2364 ppm1=4.103 ppm2=7.710 assign ( resid 65 and name HN ) ( resid 64 and name HG1 ) 3.5 1.7 0.7 volume=0.580 peak=285 ppm1=7.856 ppm2=1.627 assign ( resid 96 and name HD2# ) ( resid 96 and name HA ) 4.7 2.9 0.9 volume=0.099 peak=1259 ppm1=0.686 ppm2=4.769 assign ( resid 93 and name HN ) ( resid 92 and name HN ) 2.5 0.7 0.5 volume=4.858 peak=139 ppm1=7.748 ppm2=8.372 assign ( resid 85 and name HA ) ( resid 85 and name HB1 ) 2.7 0.9 0.5 volume=2.642 peak=1975 ppm1=4.089 ppm2=1.863 assign ( resid 85 and name HG1 ) ( resid 85 and name HG2 ) 1.8 0.0 0.4 volume=26.980 peak=1990 ppm1=2.129 ppm2=2.078 assign ( resid 109 and name HG1# ) ( resid 111 and name HN ) 4.5 2.7 0.9 volume=0.123 peak=2168 ppm1=0.306 ppm2=7.584 assign ( resid 107 and name HB2 ) ( resid 107 and name HG1 ) 3.3 1.5 0.7 volume=0.864 peak=1553 ppm1=2.125 ppm2=2.638 assign ( resid 78 and name HN ) ( resid 75 and name HN ) 3.6 1.8 0.7 volume=0.503 peak=203 ppm1=7.446 ppm2=7.051 assign ( resid 104 and name HB2 ) ( resid 101 and name HA1 ) 3.3 1.5 0.7 volume=0.792 peak=1691 ppm1=1.675 ppm2=3.576 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 74 and name HB1 ) 3.0 1.2 0.6 volume=1.395 peak=91 ppm1=6.909 ppm2=1.274 assign ( resid 65 and name HB2 ) ( resid 65 and name HB1 ) 2.6 0.8 0.5 volume=3.684 peak=1477 ppm1=3.286 ppm2=2.748 assign ( resid 64 and name HG1 ) ( resid 64 and name HB2 ) 3.0 1.2 0.6 volume=1.475 peak=1374 ppm1=1.608 ppm2=1.389 assign ( resid 85 and name HB2 ) ( resid 85 and name HA ) 3.1 1.3 0.6 volume=1.198 peak=1397 ppm1=1.796 ppm2=4.087 assign ( resid 87 and name HG1 ) ( resid 87 and name HD1 ) 3.0 1.2 0.6 volume=1.400 peak=2350 ppm1=1.128 ppm2=2.933 assign ( resid 64 and name HG1 ) ( resid 64 and name HA ) 4.6 2.8 0.9 volume=0.114 peak=2032 ppm1=1.608 ppm2=4.116 assign ( resid 69 and name HB2 ) ( resid 69 and name HB1 ) 3.7 1.9 0.7 volume=0.400 peak=2239 ppm1=3.061 ppm2=2.514 assign ( resid 95 and name HN ) ( resid 90 and name HN ) 3.5 1.7 0.7 volume=0.609 peak=344 ppm1=7.734 ppm2=9.122 assign ( resid 107 and name HG1 ) ( resid 107 and name HA ) 3.4 1.6 0.7 volume=0.661 peak=1819 ppm1=2.638 ppm2=3.448 assign ( resid 71 and name HN ) ( resid 71 and name HA ) 3.7 1.9 0.7 volume=0.439 peak=471 ppm1=6.741 ppm2=4.867 assign ( resid 64 and name HG1 ) ( resid 64 and name HB1 ) 2.9 1.1 0.6 volume=1.857 peak=2149 ppm1=1.609 ppm2=1.347 assign ( resid 72 and name HG2# ) ( resid 72 and name HA ) 3.4 1.6 0.7 volume=0.755 peak=1568 ppm1=0.583 ppm2=3.155 assign ( resid 110 and name HB2 ) ( resid 110 and name HD2 ) 3.3 1.5 0.7 volume=0.784 peak=1306 ppm1=3.031 ppm2=6.606 assign ( resid 63 and name HB2 ) ( resid 64 and name HN ) 4.4 2.6 0.9 volume=0.157 peak=2033 ppm1=1.948 ppm2=8.558 assign ( resid 89 and name HN ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=0.994 peak=438 ppm1=8.393 ppm2=0.897 assign ( resid 96 and name HD2# ) ( resid 89 and name HD1 ) 3.9 2.1 0.8 volume=0.327 peak=1677 ppm1=0.686 ppm2=2.966 assign ( resid 64 and name HA ) ( resid 64 and name HN ) 3.4 1.6 0.7 volume=0.665 peak=929 ppm1=4.124 ppm2=8.556 assign ( resid 109 and name HG1# ) ( resid 109 and name HG2# ) 2.3 0.5 0.5 volume=7.045 peak=875 ppm1=0.309 ppm2=0.482 assign ( resid 89 and name HG1 or resid 89 and name HG2 ) ( resid 89 and name HN ) 4.0 2.2 0.8 volume=0.277 peak=1000 ppm1=1.096 ppm2=8.384 assign ( resid 66 and name HA1 ) ( resid 67 and name HN ) 3.5 1.7 0.7 volume=0.543 peak=1376 ppm1=4.096 ppm2=7.831 assign ( resid 107 and name HE22 ) ( resid 107 and name HG1 ) 3.3 1.5 0.7 volume=0.854 peak=197 ppm1=6.929 ppm2=2.640 assign ( resid 106 and name HB1 ) ( resid 107 and name HN ) 4.0 2.2 0.8 volume=0.252 peak=2236 ppm1=2.587 ppm2=8.027 assign ( resid 60 and name HE1 or resid 60 and name HE2 ) ( resid 60 and name HB2 ) 3.6 1.8 0.7 volume=0.497 peak=4 ppm1=6.758 ppm2=2.625 assign ( resid 74 and name HD1# ) ( resid 74 and name HB1 ) 2.5 0.7 0.5 volume=4.028 peak=2127 ppm1=1.038 ppm2=1.292 assign ( resid 86 and name HB# ) ( resid 86 and name HN ) 3.4 1.6 0.7 volume=0.684 peak=2179 ppm1=1.065 ppm2=8.208 assign ( resid 103 and name HA ) ( resid 103 and name HB2 ) 3.5 1.7 0.7 volume=0.539 peak=1914 ppm1=3.031 ppm2=1.821 assign ( resid 80 and name HN ) ( resid 78 and name HN ) 3.9 2.1 0.8 volume=0.329 peak=573 ppm1=7.090 ppm2=7.439 assign ( resid 103 and name HD2# ) ( resid 104 and name HN ) 3.9 2.1 0.8 volume=0.328 peak=1152 ppm1=0.875 ppm2=8.126 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 77 and name HN ) 3.5 1.7 0.7 volume=0.578 peak=1847 ppm1=2.573 ppm2=7.289 assign ( resid 86 and name HB# ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 4.0 2.2 0.8 volume=0.280 peak=986 ppm1=1.069 ppm2=2.819 assign ( resid 69 and name HB1 ) ( resid 71 and name HN ) 4.0 2.2 0.8 volume=0.253 peak=919 ppm1=2.507 ppm2=6.763 assign ( resid 81 and name HN ) ( resid 78 and name HN ) 3.8 2.0 0.8 volume=0.384 peak=629 ppm1=7.618 ppm2=7.450 assign ( resid 103 and name HB2 ) ( resid 100 and name HA ) 3.6 1.8 0.7 volume=0.479 peak=1172 ppm1=1.821 ppm2=3.204 assign ( resid 77 and name HG ) ( resid 77 and name HD1# ) 2.6 0.8 0.5 volume=3.448 peak=1685 ppm1=1.548 ppm2=0.711 assign ( resid 72 and name HG11 ) ( resid 72 and name HD1# ) 2.6 0.8 0.5 volume=3.101 peak=1680 ppm1=0.707 ppm2=0.552 assign ( resid 71 and name HB1 ) ( resid 71 and name HD2# ) 3.5 1.7 0.7 volume=0.562 peak=2068 ppm1=1.341 ppm2=0.811 assign ( resid 75 and name HD1# ) ( resid 79 and name HE2 ) 3.6 1.8 0.7 volume=0.455 peak=1004 ppm1=0.889 ppm2=2.953 assign ( resid 75 and name HN ) ( resid 74 and name HB1 ) 3.1 1.3 0.6 volume=1.150 peak=456 ppm1=7.048 ppm2=1.301 assign ( resid 92 and name HN ) ( resid 93 and name HA ) 3.9 2.1 0.8 volume=0.322 peak=223 ppm1=8.371 ppm2=4.987 assign ( resid 104 and name HB1 or resid 104 and name HB2 ) ( resid 104 and name HA ) 2.8 1.0 0.6 volume=2.477 peak=2015 ppm1=1.677 ppm2=3.914 assign ( resid 95 and name HG1 ) ( resid 95 and name HN ) 3.6 1.8 0.7 volume=0.532 peak=2062 ppm1=1.028 ppm2=7.738 assign ( resid 82 and name HB2 ) ( resid 82 and name HE1 ) 4.2 2.4 0.8 volume=0.190 peak=2092 ppm1=3.155 ppm2=7.854 assign ( resid 72 and name HG12 ) ( resid 72 and name HA ) 3.9 2.1 0.8 volume=0.284 peak=2190 ppm1=0.778 ppm2=3.154 assign ( resid 76 and name HN ) ( resid 76 and name HB2 or resid 76 and name HB1 ) 2.7 0.9 0.5 volume=2.881 peak=520 ppm1=8.459 ppm2=2.563 assign ( resid 73 and name HN ) ( resid 73 and name HA ) 3.6 1.8 0.7 volume=0.461 peak=288 ppm1=7.962 ppm2=3.910 assign ( resid 88 and name HB2 ) ( resid 103 and name HB2 ) 4.3 2.5 0.9 volume=0.174 peak=2388 ppm1=2.748 ppm2=1.834 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 76 and name HA ) 3.9 2.1 0.8 volume=0.310 peak=1731 ppm1=2.566 ppm2=4.201 assign ( resid 72 and name HN ) ( resid 72 and name HA ) 3.6 1.8 0.7 volume=0.534 peak=399 ppm1=8.434 ppm2=3.159 assign ( resid 109 and name HN ) ( resid 108 and name HN ) 2.9 1.1 0.6 volume=1.914 peak=821 ppm1=7.803 ppm2=6.923 assign ( resid 108 and name HN ) ( resid 107 and name HG2 ) 3.8 2.0 0.8 volume=0.362 peak=405 ppm1=6.920 ppm2=2.721 assign ( resid 96 and name HD2# ) ( resid 95 and name HN ) 4.1 2.3 0.8 volume=0.227 peak=1771 ppm1=0.688 ppm2=7.724 assign ( resid 108 and name HD1# ) ( resid 112 and name HA1 or resid 112 and name HA2 ) 3.8 2.0 0.8 volume=0.331 peak=1581 ppm1=0.707 ppm2=3.673 assign ( resid 103 and name HD1# ) ( resid 89 and name HN ) 3.8 2.0 0.8 volume=0.338 peak=1520 ppm1=0.808 ppm2=8.395 assign ( resid 109 and name HG1# ) ( resid 109 and name HA ) 3.1 1.3 0.6 volume=1.176 peak=2046 ppm1=0.308 ppm2=3.772 assign ( resid 69 and name HN ) ( resid 69 and name HA ) 3.2 1.4 0.6 volume=1.076 peak=115 ppm1=8.409 ppm2=4.536 assign ( resid 109 and name HG2# ) ( resid 108 and name HA ) 4.0 2.2 0.8 volume=0.278 peak=1157 ppm1=0.487 ppm2=3.936 assign ( resid 78 and name HN ) ( resid 77 and name HA ) 3.2 1.4 0.6 volume=1.036 peak=417 ppm1=7.446 ppm2=3.916 assign ( resid 62 and name HN ) ( resid 62 and name HB2 ) 3.3 1.5 0.7 volume=0.800 peak=162 ppm1=8.874 ppm2=2.661 assign ( resid 85 and name HG2 ) ( resid 85 and name HA ) 3.5 1.7 0.7 volume=0.568 peak=1361 ppm1=2.076 ppm2=4.070 assign ( resid 71 and name HB2 ) ( resid 74 and name HD1# ) 4.1 2.3 0.8 volume=0.215 peak=1382 ppm1=1.647 ppm2=1.065 assign ( resid 104 and name HA ) ( resid 107 and name HB1 ) 3.2 1.4 0.6 volume=0.980 peak=2069 ppm1=3.914 ppm2=2.072 assign ( resid 106 and name HN ) ( resid 105 and name HA ) 3.1 1.3 0.6 volume=1.177 peak=279 ppm1=7.303 ppm2=3.869 assign ( resid 86 and name HN ) ( resid 87 and name HN ) 3.5 1.7 0.7 volume=0.546 peak=2368 ppm1=8.195 ppm2=7.737 assign ( resid 76 and name HA ) ( resid 79 and name HB2 or resid 79 and name HB1 ) 3.2 1.4 0.6 volume=1.026 peak=1405 ppm1=4.198 ppm2=1.819 assign ( resid 107 and name HG2 ) ( resid 103 and name HG ) 3.7 1.9 0.7 volume=0.407 peak=1831 ppm1=2.697 ppm2=1.306 assign ( resid 100 and name HB2 ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 4.4 2.6 0.9 volume=0.151 peak=1099 ppm1=3.531 ppm2=6.803 assign ( resid 67 and name HN ) ( resid 67 and name HA ) 3.1 1.3 0.6 volume=1.310 peak=713 ppm1=7.832 ppm2=3.898 assign ( resid 77 and name HD2# ) ( resid 77 and name HN ) 3.5 1.7 0.7 volume=0.573 peak=1938 ppm1=0.735 ppm2=7.291 assign ( resid 102 and name HA ) ( resid 102 and name HN ) 4.8 3.0 1.0 volume=0.090 peak=1631 ppm1=4.332 ppm2=7.871 assign ( resid 60 and name HB1 ) ( resid 75 and name HB1 ) 3.8 2.0 0.8 volume=0.372 peak=1035 ppm1=2.851 ppm2=1.852 assign ( resid 96 and name HN ) ( resid 96 and name HA ) 3.2 1.4 0.6 volume=0.946 peak=644 ppm1=7.584 ppm2=4.744 assign ( resid 106 and name HB2 ) ( resid 103 and name HD1# ) 3.6 1.8 0.7 volume=0.481 peak=1536 ppm1=2.813 ppm2=0.817 assign ( resid 80 and name HN ) ( resid 80 and name HA ) 2.8 1.0 0.6 volume=2.157 peak=829 ppm1=7.094 ppm2=3.943 assign ( resid 103 and name HD1# ) ( resid 107 and name HB2 ) 3.9 2.1 0.8 volume=0.322 peak=1936 ppm1=0.807 ppm2=2.148 assign ( resid 93 and name HB2 ) ( resid 93 and name HN ) 3.5 1.7 0.7 volume=0.553 peak=1964 ppm1=2.750 ppm2=7.746 assign ( resid 99 and name HG2# ) ( resid 99 and name HB ) 3.3 1.5 0.7 volume=0.763 peak=1083 ppm1=1.080 ppm2=4.306 assign ( resid 104 and name HG1 ) ( resid 104 and name HG2 ) 2.0 0.2 0.4 volume=18.646 peak=1686 ppm1=1.264 ppm2=1.342 assign ( resid 89 and name HB2 ) ( resid 89 and name HA ) 4.6 2.8 0.9 volume=0.109 peak=1549 ppm1=1.300 ppm2=4.852 assign ( resid 107 and name HB1 ) ( resid 107 and name HE21 ) 4.5 2.7 0.9 volume=0.130 peak=1423 ppm1=2.050 ppm2=7.507 assign ( resid 78 and name HB2 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.9 2.1 0.8 volume=0.286 peak=1351 ppm1=3.214 ppm2=0.884 assign ( resid 61 and name HA2 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 4.2 2.4 0.8 volume=0.187 peak=2126 ppm1=3.417 ppm2=0.871 assign ( resid 109 and name HN ) ( resid 108 and name HA ) 3.2 1.4 0.6 volume=1.081 peak=730 ppm1=7.805 ppm2=3.946 assign ( resid 95 and name HB2 ) ( resid 90 and name HB1 ) 4.0 2.2 0.8 volume=0.268 peak=1780 ppm1=1.186 ppm2=3.260 assign ( resid 108 and name HD1# ) ( resid 107 and name HG1 ) 3.6 1.8 0.7 volume=0.465 peak=1815 ppm1=0.707 ppm2=2.634 assign ( resid 103 and name HD2# ) ( resid 100 and name HA ) 3.6 1.8 0.7 volume=0.503 peak=1954 ppm1=0.877 ppm2=3.209 assign ( resid 64 and name HG1 ) ( resid 64 and name HN ) 3.8 2.0 0.8 volume=0.340 peak=1849 ppm1=1.601 ppm2=8.557 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 74 and name HA ) 4.0 2.2 0.8 volume=0.278 peak=62 ppm1=6.134 ppm2=3.943 assign ( resid 98 and name HG2# ) ( resid 85 and name HB2 ) 4.1 2.3 0.8 volume=0.241 peak=1854 ppm1=1.134 ppm2=1.791 assign ( resid 68 and name HN ) ( resid 67 and name HA ) 2.6 0.8 0.5 volume=3.548 peak=651 ppm1=7.667 ppm2=3.942 assign ( resid 59 and name HB2 ) ( resid 59 and name HD2 ) 3.9 2.1 0.8 volume=0.294 peak=1138 ppm1=0.976 ppm2=3.430 assign ( resid 77 and name HN ) ( resid 76 and name HA ) 3.5 1.7 0.7 volume=0.616 peak=512 ppm1=7.293 ppm2=4.195 assign ( resid 105 and name HA ) ( resid 105 and name HN ) 2.8 1.0 0.6 volume=2.429 peak=1901 ppm1=3.844 ppm2=7.553 assign ( resid 66 and name HN ) ( resid 64 and name HN ) 4.0 2.2 0.8 volume=0.271 peak=402 ppm1=8.123 ppm2=8.562 assign ( resid 105 and name HA ) ( resid 105 and name HB2 or resid 105 and name HB1 ) 2.5 0.7 0.5 volume=3.947 peak=1303 ppm1=3.846 ppm2=1.672 assign ( resid 110 and name HD2 ) ( resid 109 and name HG2# ) 3.5 1.7 0.7 volume=0.551 peak=74 ppm1=6.609 ppm2=0.485 assign ( resid 103 and name HD1# ) ( resid 103 and name HN ) 3.6 1.8 0.7 volume=0.464 peak=1480 ppm1=0.808 ppm2=7.255 assign ( resid 103 and name HB2 ) ( resid 103 and name HG ) 3.1 1.3 0.6 volume=1.166 peak=1579 ppm1=1.823 ppm2=1.299 assign ( resid 107 and name HB2 ) ( resid 103 and name HD1# ) 4.1 2.3 0.8 volume=0.228 peak=1727 ppm1=2.125 ppm2=0.823 assign ( resid 74 and name HD2# ) ( resid 69 and name HD1 or resid 69 and name HD2 ) 3.7 1.9 0.7 volume=0.392 peak=1647 ppm1=0.769 ppm2=6.892 assign ( resid 74 and name HD1# ) ( resid 69 and name HB2 ) 4.1 2.3 0.8 volume=0.228 peak=2193 ppm1=1.043 ppm2=3.062 assign ( resid 102 and name HA ) ( resid 105 and name HB2 or resid 105 and name HB1 ) 3.6 1.8 0.7 volume=0.491 peak=1678 ppm1=4.335 ppm2=1.666 assign ( resid 67 and name HA ) ( resid 68 and name HN ) 2.9 1.1 0.6 volume=1.922 peak=1842 ppm1=3.951 ppm2=7.668 assign ( resid 64 and name HA ) ( resid 64 and name HB2 ) 3.5 1.7 0.7 volume=0.542 peak=1796 ppm1=4.122 ppm2=1.388 assign ( resid 62 and name HN ) ( resid 62 and name HB1 ) 3.2 1.4 0.6 volume=0.913 peak=820 ppm1=8.875 ppm2=3.239 assign ( resid 105 and name HG1 ) ( resid 105 and name HB2 ) 2.2 0.4 0.4 volume=9.846 peak=2231 ppm1=1.446 ppm2=1.658 assign ( resid 86 and name HN ) ( resid 85 and name HB1 ) 3.5 1.7 0.7 volume=0.571 peak=167 ppm1=8.204 ppm2=1.876 assign ( resid 91 and name HG2 ) ( resid 91 and name HN ) 4.2 2.4 0.8 volume=0.201 peak=1145 ppm1=2.214 ppm2=9.402 assign ( resid 61 and name HN ) ( resid 60 and name HB1 ) 3.7 1.9 0.7 volume=0.454 peak=439 ppm1=8.403 ppm2=2.836 assign ( resid 76 and name HN ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.1 1.3 0.6 volume=1.157 peak=622 ppm1=8.456 ppm2=0.871 assign ( resid 80 and name HB2 or resid 80 and name HB1 ) ( resid 80 and name HD2 or resid 80 and name HD1 ) 2.4 0.6 0.5 volume=6.244 peak=2108 ppm1=1.720 ppm2=1.526 assign ( resid 71 and name HB1 ) ( resid 71 and name HD1# ) 3.7 1.9 0.7 volume=0.446 peak=1602 ppm1=1.341 ppm2=0.917 assign ( resid 107 and name HA ) ( resid 107 and name HN ) 3.4 1.6 0.7 volume=0.713 peak=925 ppm1=3.454 ppm2=8.030 assign ( resid 106 and name HN ) ( resid 102 and name HA ) 3.7 1.9 0.7 volume=0.431 peak=392 ppm1=7.305 ppm2=4.325 assign ( resid 74 and name HN ) ( resid 74 and name HB1 ) 3.0 1.2 0.6 volume=1.401 peak=155 ppm1=6.394 ppm2=1.319 assign ( resid 78 and name HB2 ) ( resid 78 and name HA ) 3.9 2.1 0.8 volume=0.295 peak=1375 ppm1=3.198 ppm2=3.991 assign ( resid 109 and name HA ) ( resid 109 and name HG2# ) 2.6 0.8 0.5 volume=3.326 peak=1038 ppm1=3.775 ppm2=0.495 assign ( resid 102 and name HB2 ) ( resid 102 and name HN ) 4.7 2.9 0.9 volume=0.098 peak=1501 ppm1=2.707 ppm2=7.859 assign ( resid 84 and name HA2 or resid 84 and name HA1 ) ( resid 85 and name HN ) 3.5 1.7 0.7 volume=0.588 peak=1066 ppm1=3.856 ppm2=7.941 assign ( resid 85 and name HN ) ( resid 86 and name HN ) 3.4 1.6 0.7 volume=0.725 peak=113 ppm1=7.945 ppm2=8.201 assign ( resid 94 and name HN ) ( resid 91 and name HN ) 4.3 2.5 0.9 volume=0.167 peak=168 ppm1=8.290 ppm2=9.393 assign ( resid 81 and name HN ) ( resid 80 and name HN ) 2.8 1.0 0.6 volume=2.316 peak=395 ppm1=7.623 ppm2=7.092 assign ( resid 75 and name HD2# ) ( resid 79 and name HE1 ) 3.6 1.8 0.7 volume=0.500 peak=2230 ppm1=0.848 ppm2=3.088 assign ( resid 100 and name HB1 ) ( resid 100 and name HA ) 3.3 1.5 0.7 volume=0.891 peak=1111 ppm1=3.372 ppm2=3.217 assign ( resid 87 and name HG1 ) ( resid 87 and name HN ) 3.5 1.7 0.7 volume=0.573 peak=2325 ppm1=1.133 ppm2=7.709 assign ( resid 70 and name HN ) ( resid 70 and name HA ) 4.3 2.5 0.9 volume=0.165 peak=580 ppm1=9.254 ppm2=4.332 assign ( resid 108 and name HD2# ) ( resid 108 and name HN ) 3.5 1.7 0.7 volume=0.607 peak=1886 ppm1=0.795 ppm2=6.924 assign ( resid 111 and name HN ) ( resid 112 and name HN ) 3.1 1.3 0.6 volume=1.316 peak=355 ppm1=7.587 ppm2=7.850 assign ( resid 72 and name HN ) ( resid 72 and name HG11 ) 3.4 1.6 0.7 volume=0.706 peak=630 ppm1=8.442 ppm2=0.742 assign ( resid 77 and name HD2# ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 3.5 1.7 0.7 volume=0.605 peak=1465 ppm1=0.735 ppm2=2.824 assign ( resid 70 and name HN ) ( resid 70 and name HB2 ) 3.7 1.9 0.7 volume=0.393 peak=805 ppm1=9.256 ppm2=1.818 assign ( resid 69 and name HN ) ( resid 75 and name HD1# ) 3.3 1.5 0.7 volume=0.770 peak=672 ppm1=8.414 ppm2=0.909 assign ( resid 105 and name HG1 ) ( resid 105 and name HN ) 3.3 1.5 0.7 volume=0.876 peak=954 ppm1=1.442 ppm2=7.550 assign ( resid 96 and name HB1 ) ( resid 96 and name HD2# ) 3.1 1.3 0.6 volume=1.115 peak=1339 ppm1=1.315 ppm2=0.686 assign ( resid 107 and name HG1 ) ( resid 107 and name HB2 ) 3.3 1.5 0.7 volume=0.823 peak=1609 ppm1=2.641 ppm2=2.125 assign ( resid 76 and name HN ) ( resid 77 and name HN ) 3.0 1.2 0.6 volume=1.407 peak=359 ppm1=8.458 ppm2=7.295 assign ( resid 107 and name HG1 ) ( resid 107 and name HG2 ) 2.4 0.6 0.5 volume=5.798 peak=2018 ppm1=2.640 ppm2=2.695 assign ( resid 72 and name HG12 ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 4.3 2.5 0.9 volume=0.180 peak=1538 ppm1=0.775 ppm2=6.824 assign ( resid 91 and name HN ) ( resid 91 and name HG2 ) 3.2 1.4 0.6 volume=1.032 peak=304 ppm1=9.400 ppm2=2.217 assign ( resid 107 and name HA ) ( resid 110 and name HN ) 3.7 1.9 0.7 volume=0.401 peak=2094 ppm1=3.460 ppm2=7.119 assign ( resid 74 and name HN ) ( resid 74 and name HD1# ) 3.3 1.5 0.7 volume=0.909 peak=489 ppm1=6.393 ppm2=1.043 assign ( resid 88 and name HB1 ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 3.1 1.3 0.6 volume=1.175 peak=2359 ppm1=2.630 ppm2=6.817 assign ( resid 76 and name HN ) ( resid 78 and name HN ) 4.0 2.2 0.8 volume=0.273 peak=541 ppm1=8.457 ppm2=7.476 assign ( resid 107 and name HA ) ( resid 108 and name HN ) 3.9 2.1 0.8 volume=0.290 peak=1028 ppm1=3.456 ppm2=6.922 assign ( resid 77 and name HN ) ( resid 78 and name HN ) 2.9 1.1 0.6 volume=1.665 peak=777 ppm1=7.291 ppm2=7.447 assign ( resid 105 and name HN ) ( resid 102 and name HA ) 3.1 1.3 0.6 volume=1.297 peak=823 ppm1=7.547 ppm2=4.329 assign ( resid 109 and name HN ) ( resid 108 and name HB1 ) 3.1 1.3 0.6 volume=1.244 peak=440 ppm1=7.808 ppm2=1.598 assign ( resid 68 and name HN ) ( resid 68 and name HB2 ) 3.3 1.5 0.7 volume=0.771 peak=490 ppm1=7.670 ppm2=3.324 assign ( resid 64 and name HN ) ( resid 65 and name HN ) 2.8 1.0 0.6 volume=2.024 peak=792 ppm1=8.555 ppm2=7.847 assign ( resid 81 and name HN ) ( resid 81 and name HA ) 2.8 1.0 0.6 volume=2.440 peak=816 ppm1=7.624 ppm2=3.938 assign ( resid 108 and name HB2 ) ( resid 108 and name HB1 ) 2.6 0.8 0.5 volume=3.442 peak=1473 ppm1=1.353 ppm2=1.590 assign ( resid 68 and name HB2 ) ( resid 68 and name HN ) 3.9 2.1 0.8 volume=0.313 peak=1117 ppm1=3.338 ppm2=7.669 assign ( resid 108 and name HN ) ( resid 108 and name HA ) 2.8 1.0 0.6 volume=2.434 peak=714 ppm1=6.917 ppm2=3.963 assign ( resid 70 and name HG2 or resid 70 and name HG1 ) ( resid 71 and name HD1# ) 3.4 1.6 0.7 volume=0.665 peak=1666 ppm1=1.671 ppm2=0.930 assign ( resid 109 and name HG2# ) ( resid 106 and name HB2 ) 4.5 2.7 0.9 volume=0.130 peak=1965 ppm1=0.487 ppm2=2.788 assign ( resid 77 and name HD2# ) ( resid 77 and name HB2 ) 2.4 0.6 0.5 volume=5.966 peak=1822 ppm1=0.735 ppm2=1.561 assign ( resid 93 and name HN ) ( resid 91 and name HN ) 3.8 2.0 0.8 volume=0.342 peak=525 ppm1=7.739 ppm2=9.403 assign ( resid 82 and name HD2 ) ( resid 82 and name HB2 ) 3.1 1.3 0.6 volume=1.289 peak=48 ppm1=6.605 ppm2=3.153 assign ( resid 79 and name HE2 ) ( resid 79 and name HN ) 4.4 2.6 0.9 volume=0.138 peak=1053 ppm1=2.960 ppm2=8.416 assign ( resid 97 and name HN ) ( resid 96 and name HB1 ) 3.2 1.4 0.6 volume=0.964 peak=297 ppm1=8.696 ppm2=1.343 assign ( resid 105 and name HB2 or resid 105 and name HB1 ) ( resid 105 and name HA ) 2.9 1.1 0.6 volume=1.768 peak=1825 ppm1=1.669 ppm2=3.845 assign ( resid 89 and name HB2 ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 2.7 0.9 0.5 volume=2.613 peak=1832 ppm1=1.284 ppm2=1.095 assign ( resid 64 and name HB1 ) ( resid 64 and name HA ) 3.7 1.9 0.7 volume=0.391 peak=1618 ppm1=1.349 ppm2=4.113 assign ( resid 64 and name HG2 ) ( resid 65 and name HN ) 4.1 2.3 0.8 volume=0.225 peak=1212 ppm1=1.757 ppm2=7.875 assign ( resid 71 and name HD2# ) ( resid 74 and name HD1# ) 2.8 1.0 0.6 volume=2.283 peak=1937 ppm1=0.807 ppm2=1.053 assign ( resid 61 and name HN ) ( resid 61 and name HA2 ) 2.9 1.1 0.6 volume=1.842 peak=176 ppm1=8.397 ppm2=3.422 assign ( resid 79 and name HB2 or resid 79 and name HB1 ) ( resid 76 and name HA ) 3.8 2.0 0.8 volume=0.377 peak=1016 ppm1=1.816 ppm2=4.180 assign ( resid 97 and name HB2 ) ( resid 99 and name HG2# ) 3.8 2.0 0.8 volume=0.363 peak=1895 ppm1=3.112 ppm2=1.091 assign ( resid 78 and name HN ) ( resid 78 and name HB1 ) 3.0 1.2 0.6 volume=1.578 peak=558 ppm1=7.446 ppm2=2.848 assign ( resid 109 and name HA ) ( resid 109 and name HN ) 3.1 1.3 0.6 volume=1.330 peak=1424 ppm1=3.774 ppm2=7.809 assign ( resid 75 and name HD1# ) ( resid 69 and name HB2 ) 3.5 1.7 0.7 volume=0.568 peak=920 ppm1=0.889 ppm2=3.076 assign ( resid 64 and name HN ) ( resid 64 and name HA ) 3.0 1.2 0.6 volume=1.595 peak=265 ppm1=8.555 ppm2=4.128 assign ( resid 69 and name HB1 ) ( resid 69 and name HN ) 4.4 2.6 0.9 volume=0.157 peak=1497 ppm1=2.508 ppm2=8.426 assign ( resid 108 and name HD2# ) ( resid 108 and name HB2 ) 2.7 0.9 0.5 volume=2.569 peak=2194 ppm1=0.800 ppm2=1.367 assign ( resid 71 and name HD2# ) ( resid 72 and name HN ) 4.1 2.3 0.8 volume=0.240 peak=1084 ppm1=0.808 ppm2=8.463 assign ( resid 79 and name HN ) ( resid 80 and name HN ) 3.2 1.4 0.6 volume=1.098 peak=762 ppm1=8.418 ppm2=7.095 assign ( resid 62 and name HN ) ( resid 61 and name HA2 ) 3.1 1.3 0.6 volume=1.233 peak=239 ppm1=8.876 ppm2=3.420 assign ( resid 107 and name HA ) ( resid 106 and name HD2 ) 3.2 1.4 0.6 volume=1.019 peak=1550 ppm1=3.455 ppm2=6.680 assign ( resid 103 and name HD2# ) ( resid 103 and name HN ) 3.7 1.9 0.7 volume=0.394 peak=2079 ppm1=0.880 ppm2=7.222 assign ( resid 87 and name HN ) ( resid 97 and name HN ) 4.2 2.4 0.8 volume=0.195 peak=2357 ppm1=7.708 ppm2=8.700 assign ( resid 109 and name HB ) ( resid 109 and name HG2# ) 2.6 0.8 0.5 volume=3.356 peak=870 ppm1=1.783 ppm2=0.481 assign ( resid 96 and name HD1# ) ( resid 89 and name HA ) 3.8 2.0 0.8 volume=0.337 peak=1433 ppm1=0.562 ppm2=4.852 assign ( resid 90 and name HB2 ) ( resid 90 and name HN ) 3.7 1.9 0.7 volume=0.431 peak=1263 ppm1=2.731 ppm2=9.133 assign ( resid 107 and name HA ) ( resid 109 and name HN ) 4.0 2.2 0.8 volume=0.253 peak=1791 ppm1=3.455 ppm2=7.815 assign ( resid 65 and name HA ) ( resid 65 and name HN ) 3.3 1.5 0.7 volume=0.853 peak=995 ppm1=4.999 ppm2=7.858 assign ( resid 70 and name HN ) ( resid 70 and name HG1 ) 4.0 2.2 0.8 volume=0.282 peak=183 ppm1=9.257 ppm2=1.671 assign ( resid 103 and name HB2 ) ( resid 103 and name HA ) 4.0 2.2 0.8 volume=0.259 peak=1766 ppm1=1.826 ppm2=3.034 assign ( resid 75 and name HB1 ) ( resid 72 and name HA ) 3.7 1.9 0.7 volume=0.393 peak=1591 ppm1=1.858 ppm2=3.174 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 103 and name HD2# ) 2.6 0.8 0.5 volume=3.187 peak=90 ppm1=6.815 ppm2=0.875 assign ( resid 108 and name HN ) ( resid 107 and name HG1 ) 3.7 1.9 0.7 volume=0.426 peak=652 ppm1=6.917 ppm2=2.653 assign ( resid 108 and name HB1 ) ( resid 108 and name HG ) 2.9 1.1 0.6 volume=1.760 peak=1141 ppm1=1.578 ppm2=1.696 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 87 and name HD1 ) 3.4 1.6 0.7 volume=0.660 peak=2335 ppm1=1.358 ppm2=2.933 assign ( resid 75 and name HA ) ( resid 79 and name HN ) 4.0 2.2 0.8 volume=0.257 peak=1245 ppm1=3.467 ppm2=8.433 assign ( resid 68 and name HB1 ) ( resid 68 and name HN ) 3.8 2.0 0.8 volume=0.365 peak=2072 ppm1=3.494 ppm2=7.673 assign ( resid 78 and name HD2 ) ( resid 62 and name HB1 ) 3.4 1.6 0.7 volume=0.747 peak=105 ppm1=6.723 ppm2=3.221 assign ( resid 71 and name HD1# ) ( resid 71 and name HB1 ) 2.9 1.1 0.6 volume=1.825 peak=1183 ppm1=0.917 ppm2=1.331 assign ( resid 71 and name HB2 ) ( resid 71 and name HD1# ) 3.4 1.6 0.7 volume=0.732 peak=1693 ppm1=1.651 ppm2=0.916 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 90 and name HB2 ) 2.9 1.1 0.6 volume=1.927 peak=51 ppm1=6.678 ppm2=2.731 assign ( resid 70 and name HG2 or resid 70 and name HG1 ) ( resid 70 and name HA ) 4.1 2.3 0.8 volume=0.216 peak=1578 ppm1=1.663 ppm2=4.325 assign ( resid 71 and name HN ) ( resid 74 and name HB1 ) 3.3 1.5 0.7 volume=0.862 peak=245 ppm1=6.742 ppm2=1.300 assign ( resid 89 and name HG1 or resid 89 and name HG2 ) ( resid 89 and name HD2 ) 2.9 1.1 0.6 volume=1.803 peak=1162 ppm1=1.099 ppm2=2.928 assign ( resid 64 and name HG2 ) ( resid 64 and name HA ) 4.3 2.5 0.9 volume=0.166 peak=1498 ppm1=1.758 ppm2=4.126 assign ( resid 66 and name HA1 ) ( resid 66 and name HA2 ) 3.1 1.3 0.6 volume=1.252 peak=1221 ppm1=4.096 ppm2=3.676 assign ( resid 71 and name HB2 ) ( resid 71 and name HG ) 3.8 2.0 0.8 volume=0.381 peak=921 ppm1=1.648 ppm2=1.471 assign ( resid 88 and name HN ) ( resid 96 and name HD1# ) 4.1 2.3 0.8 volume=0.231 peak=536 ppm1=8.309 ppm2=0.580 assign ( resid 75 and name HD1# ) ( resid 69 and name HB1 ) 4.0 2.2 0.8 volume=0.263 peak=955 ppm1=0.891 ppm2=2.515 assign ( resid 95 and name HG2 ) ( resid 95 and name HN ) 3.4 1.6 0.7 volume=0.706 peak=893 ppm1=1.426 ppm2=7.739 assign ( resid 109 and name HG2# ) ( resid 109 and name HA ) 2.8 1.0 0.6 volume=2.053 peak=1268 ppm1=0.487 ppm2=3.770 assign ( resid 107 and name HN ) ( resid 108 and name HN ) 2.9 1.1 0.6 volume=1.652 peak=148 ppm1=8.028 ppm2=6.919 assign ( resid 104 and name HN ) ( resid 105 and name HN ) 2.9 1.1 0.6 volume=1.657 peak=496 ppm1=8.128 ppm2=7.544 assign ( resid 76 and name HD21 ) ( resid 76 and name HA ) 4.1 2.3 0.8 volume=0.216 peak=190 ppm1=7.308 ppm2=4.196 assign ( resid 97 and name HZ ) ( resid 106 and name HB2 ) 4.0 2.2 0.8 volume=0.278 peak=96 ppm1=5.921 ppm2=2.828 assign ( resid 97 and name HN ) ( resid 88 and name HB2 ) 3.4 1.6 0.7 volume=0.672 peak=387 ppm1=8.697 ppm2=2.768 assign ( resid 71 and name HD2# ) ( resid 71 and name HD1# ) 2.1 0.3 0.4 volume=12.174 peak=1032 ppm1=0.806 ppm2=0.917 assign ( resid 74 and name HD2# ) ( resid 69 and name HB1 ) 4.0 2.2 0.8 volume=0.267 peak=1146 ppm1=0.764 ppm2=2.519 assign ( resid 105 and name HA ) ( resid 108 and name HD2# ) 3.0 1.2 0.6 volume=1.337 peak=1507 ppm1=3.844 ppm2=0.793 assign ( resid 103 and name HD1# ) ( resid 103 and name HG ) 2.7 0.9 0.5 volume=2.709 peak=1877 ppm1=0.808 ppm2=1.303 assign ( resid 86 and name HB# ) ( resid 80 and name HB2 or resid 80 and name HB1 ) 3.9 2.1 0.8 volume=0.307 peak=1168 ppm1=1.068 ppm2=1.713 assign ( resid 76 and name HA ) ( resid 76 and name HN ) 3.4 1.6 0.7 volume=0.719 peak=2280 ppm1=4.200 ppm2=8.438 assign ( resid 96 and name HD2# ) ( resid 95 and name HA ) 4.0 2.2 0.8 volume=0.264 peak=1227 ppm1=0.686 ppm2=3.830 assign ( resid 74 and name HB1 ) ( resid 74 and name HA ) 3.8 2.0 0.8 volume=0.337 peak=1758 ppm1=1.287 ppm2=3.932 assign ( resid 109 and name HN ) ( resid 107 and name HA ) 3.4 1.6 0.7 volume=0.683 peak=435 ppm1=7.807 ppm2=3.453 assign ( resid 95 and name HG1 ) ( resid 95 and name HE2 or resid 95 and name HE1 ) 3.3 1.5 0.7 volume=0.839 peak=1391 ppm1=1.028 ppm2=2.830 assign ( resid 110 and name HE1 ) ( resid 93 and name HB2 ) 2.9 1.1 0.6 volume=1.975 peak=34 ppm1=7.857 ppm2=2.753 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 97 and name HN ) 3.2 1.4 0.6 volume=0.987 peak=63 ppm1=7.102 ppm2=8.705 assign ( resid 105 and name HN ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 3.3 1.5 0.7 volume=0.816 peak=147 ppm1=7.546 ppm2=3.041 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 69 and name HB1 ) 3.1 1.3 0.6 volume=1.131 peak=73 ppm1=6.906 ppm2=2.517 assign ( resid 103 and name HN ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 3.3 1.5 0.7 volume=0.826 peak=200 ppm1=7.218 ppm2=1.663 assign ( resid 91 and name HB2 ) ( resid 91 and name HN ) 3.9 2.1 0.8 volume=0.287 peak=1874 ppm1=1.993 ppm2=9.400 assign ( resid 100 and name HA ) ( resid 88 and name HE1 or resid 88 and name HE2 ) 4.1 2.3 0.8 volume=0.242 peak=1915 ppm1=3.210 ppm2=6.668 assign ( resid 63 and name HB1 ) ( resid 64 and name HN ) 4.3 2.5 0.9 volume=0.169 peak=1113 ppm1=1.998 ppm2=8.552 assign ( resid 71 and name HD1# ) ( resid 71 and name HB2 ) 2.8 1.0 0.6 volume=2.128 peak=1131 ppm1=0.919 ppm2=1.648 assign ( resid 95 and name HB2 ) ( resid 95 and name HN ) 3.2 1.4 0.6 volume=1.036 peak=1155 ppm1=1.183 ppm2=7.742 assign ( resid 87 and name HN ) ( resid 86 and name HA ) 2.5 0.7 0.5 volume=4.817 peak=2376 ppm1=7.708 ppm2=4.107 assign ( resid 78 and name HN ) ( resid 81 and name HN ) 3.5 1.7 0.7 volume=0.577 peak=813 ppm1=7.443 ppm2=7.623 assign ( resid 110 and name HN ) ( resid 107 and name HA ) 3.3 1.5 0.7 volume=0.875 peak=677 ppm1=7.114 ppm2=3.449 assign ( resid 85 and name HG1 ) ( resid 85 and name HB2 ) 2.5 0.7 0.5 volume=4.330 peak=1515 ppm1=2.123 ppm2=1.791 assign ( resid 105 and name HD2 or resid 105 and name HD1 ) ( resid 105 and name HN ) 3.9 2.1 0.8 volume=0.313 peak=1468 ppm1=3.053 ppm2=7.548 assign ( resid 64 and name HG2 ) ( resid 64 and name HG1 ) 2.7 0.9 0.5 volume=2.665 peak=1235 ppm1=1.760 ppm2=1.605 assign ( resid 74 and name HB2 ) ( resid 74 and name HB1 ) 3.5 1.7 0.7 volume=0.629 peak=938 ppm1=1.751 ppm2=1.286 assign ( resid 91 and name HG1 ) ( resid 91 and name HB2 ) 2.3 0.5 0.5 volume=8.101 peak=1764 ppm1=2.259 ppm2=1.998 assign ( resid 109 and name HN ) ( resid 106 and name HN ) 4.1 2.3 0.8 volume=0.223 peak=741 ppm1=7.802 ppm2=7.332 assign ( resid 72 and name HG2# ) ( resid 73 and name HA ) 3.9 2.1 0.8 volume=0.311 peak=1661 ppm1=0.581 ppm2=3.916 assign ( resid 92 and name HN ) ( resid 90 and name HB2 ) 3.4 1.6 0.7 volume=0.759 peak=413 ppm1=8.364 ppm2=2.733 assign ( resid 106 and name HB1 ) ( resid 106 and name HN ) 3.3 1.5 0.7 volume=0.819 peak=2014 ppm1=2.583 ppm2=7.306 assign ( resid 84 and name HA2 or resid 84 and name HA1 ) ( resid 85 and name HG2 or resid 85 and name HG1 ) 4.0 2.2 0.8 volume=0.264 peak=1539 ppm1=3.846 ppm2=2.105 assign ( resid 95 and name HN ) ( resid 95 and name HB2 ) 2.6 0.8 0.5 volume=3.259 peak=306 ppm1=7.737 ppm2=1.214 assign ( resid 69 and name HN ) ( resid 60 and name HB1 ) 3.5 1.7 0.7 volume=0.615 peak=272 ppm1=8.409 ppm2=2.840 assign ( resid 60 and name HB1 ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.5 1.7 0.7 volume=0.546 peak=1800 ppm1=2.839 ppm2=6.824 assign ( resid 108 and name HA ) ( resid 108 and name HG ) 2.6 0.8 0.5 volume=3.510 peak=1999 ppm1=3.946 ppm2=1.695 assign ( resid 72 and name HD1# ) ( resid 72 and name HG12 ) 2.2 0.4 0.4 volume=8.706 peak=1094 ppm1=0.550 ppm2=0.780 assign ( resid 104 and name HN ) ( resid 103 and name HD2# ) 3.4 1.6 0.7 volume=0.699 peak=778 ppm1=8.126 ppm2=0.897 assign ( resid 68 and name HA ) ( resid 62 and name HN ) 4.2 2.4 0.8 volume=0.190 peak=1546 ppm1=5.127 ppm2=8.883 assign ( resid 71 and name HA ) ( resid 71 and name HD2# ) 4.6 2.8 0.9 volume=0.117 peak=2120 ppm1=4.872 ppm2=0.824 assign ( resid 93 and name HN ) ( resid 94 and name HN ) 2.4 0.6 0.5 volume=6.077 peak=259 ppm1=7.742 ppm2=8.302 assign ( resid 72 and name HA ) ( resid 75 and name HB1 ) 3.6 1.8 0.7 volume=0.462 peak=2130 ppm1=3.161 ppm2=1.861 assign ( resid 81 and name HN ) ( resid 82 and name HN ) 2.8 1.0 0.6 volume=2.316 peak=452 ppm1=7.621 ppm2=7.138 assign ( resid 104 and name HG1 ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 2.6 0.8 0.5 volume=3.386 peak=1008 ppm1=1.262 ppm2=1.673 assign ( resid 71 and name HA ) ( resid 72 and name HD1# ) 4.3 2.5 0.9 volume=0.164 peak=1176 ppm1=4.870 ppm2=0.569 assign ( resid 98 and name HG2# ) ( resid 87 and name HN ) 3.9 2.1 0.8 volume=0.295 peak=2301 ppm1=1.129 ppm2=7.711 assign ( resid 75 and name HB2 ) ( resid 75 and name HD2# ) 3.4 1.6 0.7 volume=0.676 peak=1474 ppm1=1.250 ppm2=0.847 assign ( resid 106 and name HA ) ( resid 106 and name HN ) 3.1 1.3 0.6 volume=1.186 peak=2294 ppm1=4.051 ppm2=7.310 assign ( resid 65 and name HB1 ) ( resid 65 and name HA ) 3.3 1.5 0.7 volume=0.767 peak=974 ppm1=2.749 ppm2=4.983 assign ( resid 104 and name HA ) ( resid 107 and name HN ) 3.3 1.5 0.7 volume=0.881 peak=2082 ppm1=3.915 ppm2=8.031 assign ( resid 78 and name HN ) ( resid 75 and name HA ) 3.3 1.5 0.7 volume=0.790 peak=475 ppm1=7.445 ppm2=3.462 assign ( resid 72 and name HG2# ) ( resid 72 and name HN ) 3.3 1.5 0.7 volume=0.865 peak=1492 ppm1=0.583 ppm2=8.428 assign ( resid 67 and name HN ) ( resid 62 and name HB2 ) 3.4 1.6 0.7 volume=0.668 peak=421 ppm1=7.827 ppm2=2.652 assign ( resid 75 and name HN ) ( resid 77 and name HN ) 4.0 2.2 0.8 volume=0.272 peak=527 ppm1=7.045 ppm2=7.262 assign ( resid 72 and name HG11 ) ( resid 72 and name HG2# ) 2.7 0.9 0.5 volume=2.695 peak=1056 ppm1=0.707 ppm2=0.578 assign ( resid 102 and name HB1 ) ( resid 102 and name HA ) 4.2 2.4 0.8 volume=0.183 peak=1364 ppm1=2.814 ppm2=4.340 assign ( resid 87 and name HG2 ) ( resid 87 and name HG1 ) 2.3 0.5 0.5 volume=7.376 peak=2352 ppm1=1.200 ppm2=1.137 assign ( resid 59 and name HD2 ) ( resid 59 and name HB2 ) 3.8 2.0 0.8 volume=0.335 peak=1054 ppm1=3.436 ppm2=0.977 assign ( resid 78 and name HD2 ) ( resid 79 and name HA ) 3.4 1.6 0.7 volume=0.747 peak=21 ppm1=6.725 ppm2=3.473 assign ( resid 75 and name HD1# ) ( resid 79 and name HE1 ) 3.5 1.7 0.7 volume=0.568 peak=1834 ppm1=0.889 ppm2=3.086 assign ( resid 72 and name HN ) ( resid 71 and name HB1 ) 3.8 2.0 0.8 volume=0.343 peak=134 ppm1=8.436 ppm2=1.363 assign ( resid 68 and name HB2 ) ( resid 68 and name HB1 ) 3.1 1.3 0.6 volume=1.201 peak=908 ppm1=3.335 ppm2=3.482 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 106 and name HB2 ) 2.9 1.1 0.6 volume=1.753 peak=99 ppm1=6.680 ppm2=2.823 assign ( resid 109 and name HG2# ) ( resid 108 and name HN ) 4.0 2.2 0.8 volume=0.247 peak=2181 ppm1=0.486 ppm2=6.927 assign ( resid 69 and name HB2 ) ( resid 74 and name HB1 ) 4.0 2.2 0.8 volume=0.254 peak=2138 ppm1=3.061 ppm2=1.282 assign ( resid 102 and name HB2 ) ( resid 102 and name HD22 ) 3.8 2.0 0.8 volume=0.370 peak=1134 ppm1=2.704 ppm2=7.020 assign ( resid 109 and name HG2# ) ( resid 107 and name HA ) 4.1 2.3 0.8 volume=0.230 peak=1120 ppm1=0.484 ppm2=3.464 assign ( resid 61 and name HN ) ( resid 61 and name HA1 ) 2.7 0.9 0.5 volume=2.848 peak=186 ppm1=8.404 ppm2=4.529 assign ( resid 74 and name HN ) ( resid 74 and name HG ) 3.0 1.2 0.6 volume=1.561 peak=506 ppm1=6.395 ppm2=1.556 assign ( resid 67 and name HB2 or resid 67 and name HB1 ) ( resid 62 and name HB1 ) 4.1 2.3 0.8 volume=0.218 peak=1896 ppm1=1.219 ppm2=3.251 assign ( resid 80 and name HA ) ( resid 83 and name HN ) 3.3 1.5 0.7 volume=0.855 peak=1177 ppm1=3.931 ppm2=7.739 assign ( resid 88 and name HN ) ( resid 87 and name HN ) 2.9 1.1 0.6 volume=1.979 peak=2327 ppm1=8.310 ppm2=7.713 assign ( resid 94 and name HN ) ( resid 93 and name HN ) 2.4 0.6 0.5 volume=5.826 peak=843 ppm1=8.295 ppm2=7.747 assign ( resid 95 and name HB1 ) ( resid 95 and name HA ) 3.7 1.9 0.7 volume=0.448 peak=2030 ppm1=1.274 ppm2=3.841 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 74 and name HD2# ) 3.1 1.3 0.6 volume=1.184 peak=108 ppm1=6.902 ppm2=0.778 assign ( resid 94 and name HN ) ( resid 89 and name HB1 ) 3.5 1.7 0.7 volume=0.561 peak=743 ppm1=8.297 ppm2=1.622 assign ( resid 108 and name HA ) ( resid 109 and name HN ) 3.2 1.4 0.6 volume=1.070 peak=1020 ppm1=3.960 ppm2=7.812 assign ( resid 72 and name HB ) ( resid 72 and name HA ) 3.5 1.7 0.7 volume=0.610 peak=1082 ppm1=0.880 ppm2=3.162 assign ( resid 82 and name HN ) ( resid 81 and name HG2 or resid 81 and name HG1 ) 3.3 1.5 0.7 volume=0.907 peak=771 ppm1=7.140 ppm2=1.341 assign ( resid 60 and name HN ) ( resid 59 and name HA ) 2.9 1.1 0.6 volume=1.725 peak=371 ppm1=7.709 ppm2=4.077 assign ( resid 100 and name HA ) ( resid 103 and name HB2 ) 3.5 1.7 0.7 volume=0.594 peak=1551 ppm1=3.212 ppm2=1.830 assign ( resid 75 and name HD2# ) ( resid 69 and name HN ) 3.6 1.8 0.7 volume=0.504 peak=1061 ppm1=0.848 ppm2=8.416 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 69 and name HB1 ) 3.7 1.9 0.7 volume=0.424 peak=28 ppm1=6.133 ppm2=2.512 assign ( resid 91 and name HG2 ) ( resid 92 and name HN ) 3.9 2.1 0.8 volume=0.291 peak=1251 ppm1=2.209 ppm2=8.367 assign ( resid 109 and name HG1# ) ( resid 106 and name HB2 ) 4.3 2.5 0.9 volume=0.166 peak=2235 ppm1=0.308 ppm2=2.787 assign ( resid 82 and name HN ) ( resid 81 and name HN ) 2.9 1.1 0.6 volume=1.798 peak=340 ppm1=7.135 ppm2=7.620 assign ( resid 96 and name HD1# ) ( resid 96 and name HG ) 2.6 0.8 0.5 volume=3.667 peak=1037 ppm1=0.563 ppm2=1.425 assign ( resid 97 and name HN ) ( resid 97 and name HB2 ) 3.4 1.6 0.7 volume=0.638 peak=734 ppm1=8.697 ppm2=3.110 assign ( resid 103 and name HD1# ) ( resid 90 and name HB1 ) 3.3 1.5 0.7 volume=0.814 peak=1151 ppm1=0.808 ppm2=3.246 assign ( resid 76 and name HD21 ) ( resid 76 and name HD22 ) 2.6 0.8 0.5 volume=3.774 peak=143 ppm1=7.305 ppm2=6.584 assign ( resid 79 and name HN ) ( resid 78 and name HA ) 3.4 1.6 0.7 volume=0.714 peak=184 ppm1=8.416 ppm2=3.988 assign ( resid 75 and name HD1# ) ( resid 69 and name HN ) 3.4 1.6 0.7 volume=0.706 peak=1592 ppm1=0.892 ppm2=8.428 assign ( resid 67 and name HA ) ( resid 67 and name HB2 or resid 67 and name HB1 ) 2.8 1.0 0.6 volume=2.279 peak=1864 ppm1=3.945 ppm2=1.226 assign ( resid 60 and name HB1 ) ( resid 75 and name HD2# ) 3.5 1.7 0.7 volume=0.603 peak=1127 ppm1=2.845 ppm2=0.856 assign ( resid 95 and name HB1 ) ( resid 95 and name HN ) 3.3 1.5 0.7 volume=0.862 peak=2173 ppm1=1.276 ppm2=7.740 assign ( resid 96 and name HD1# ) ( resid 96 and name HN ) 3.5 1.7 0.7 volume=0.557 peak=1907 ppm1=0.562 ppm2=7.583 assign ( resid 105 and name HG1 ) ( resid 106 and name HN ) 4.0 2.2 0.8 volume=0.276 peak=1893 ppm1=1.442 ppm2=7.298 assign ( resid 111 and name HN ) ( resid 110 and name HB2 ) 3.9 2.1 0.8 volume=0.313 peak=567 ppm1=7.582 ppm2=3.012 assign ( resid 95 and name HN ) ( resid 94 and name HN ) 2.9 1.1 0.6 volume=1.752 peak=320 ppm1=7.735 ppm2=8.303 assign ( resid 71 and name HN ) ( resid 69 and name HA ) 3.8 2.0 0.8 volume=0.341 peak=857 ppm1=6.740 ppm2=4.542 assign ( resid 107 and name HG2 ) ( resid 103 and name HD1# ) 3.4 1.6 0.7 volume=0.743 peak=2035 ppm1=2.696 ppm2=0.814 assign ( resid 74 and name HN ) ( resid 74 and name HB2 ) 3.1 1.3 0.6 volume=1.192 peak=207 ppm1=6.396 ppm2=1.747 assign ( resid 96 and name HB1 ) ( resid 96 and name HB2 ) 2.7 0.9 0.5 volume=2.811 peak=980 ppm1=1.317 ppm2=1.060 assign ( resid 103 and name HA ) ( resid 104 and name HN ) 3.9 2.1 0.8 volume=0.298 peak=1694 ppm1=3.027 ppm2=8.111 assign ( resid 93 and name HB1 ) ( resid 93 and name HB2 ) 2.6 0.8 0.5 volume=3.684 peak=1701 ppm1=3.284 ppm2=2.752 assign ( resid 108 and name HN ) ( resid 107 and name HA ) 3.6 1.8 0.7 volume=0.530 peak=248 ppm1=6.919 ppm2=3.452 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 69 and name HD1 or resid 69 and name HD2 ) 2.6 0.8 0.5 volume=3.799 peak=66 ppm1=6.139 ppm2=6.906 assign ( resid 61 and name HA2 ) ( resid 68 and name HA ) 4.4 2.6 0.9 volume=0.148 peak=1278 ppm1=3.421 ppm2=5.106 assign ( resid 100 and name HN ) ( resid 102 and name HN ) 3.9 2.1 0.8 volume=0.295 peak=796 ppm1=8.334 ppm2=7.853 assign ( resid 59 and name HD2 ) ( resid 59 and name HG2 ) 3.3 1.5 0.7 volume=0.813 peak=1308 ppm1=3.441 ppm2=1.573 assign ( resid 72 and name HN ) ( resid 72 and name HB ) 2.9 1.1 0.6 volume=1.742 peak=472 ppm1=8.437 ppm2=0.884 assign ( resid 108 and name HD1# ) ( resid 109 and name HN ) 3.9 2.1 0.8 volume=0.300 peak=1837 ppm1=0.708 ppm2=7.820 assign ( resid 89 and name HB2 ) ( resid 89 and name HB1 ) 3.0 1.2 0.6 volume=1.600 peak=2154 ppm1=1.289 ppm2=1.604 assign ( resid 104 and name HN ) ( resid 103 and name HN ) 2.9 1.1 0.6 volume=1.974 peak=589 ppm1=8.129 ppm2=7.229 assign ( resid 86 and name HN ) ( resid 85 and name HB2 ) 3.4 1.6 0.7 volume=0.734 peak=196 ppm1=8.203 ppm2=1.811 assign ( resid 94 and name HN ) ( resid 94 and name HA1 ) 2.6 0.8 0.5 volume=3.258 peak=262 ppm1=8.294 ppm2=3.572 assign ( resid 76 and name HN ) ( resid 75 and name HB1 ) 3.1 1.3 0.6 volume=1.133 peak=391 ppm1=8.458 ppm2=1.867 assign ( resid 110 and name HN ) ( resid 109 and name HA ) 3.2 1.4 0.6 volume=1.082 peak=334 ppm1=7.116 ppm2=3.769 assign ( resid 68 and name HB1 ) ( resid 68 and name HA ) 4.1 2.3 0.8 volume=0.218 peak=1191 ppm1=3.489 ppm2=5.138 assign ( resid 75 and name HN ) ( resid 74 and name HB2 ) 3.1 1.3 0.6 volume=1.197 peak=442 ppm1=7.049 ppm2=1.770 assign ( resid 90 and name HN ) ( resid 90 and name HA ) 3.3 1.5 0.7 volume=0.844 peak=626 ppm1=9.126 ppm2=4.431 assign ( resid 59 and name HB1 ) ( resid 59 and name HG2 ) 3.5 1.7 0.7 volume=0.613 peak=1286 ppm1=0.915 ppm2=1.559 assign ( resid 69 and name HB1 ) ( resid 74 and name HB1 ) 4.1 2.3 0.8 volume=0.211 peak=2278 ppm1=2.521 ppm2=1.280 assign ( resid 107 and name HE21 ) ( resid 107 and name HG2 ) 3.0 1.2 0.6 volume=1.579 peak=801 ppm1=7.496 ppm2=2.700 assign ( resid 77 and name HB2 ) ( resid 78 and name HN ) 3.9 2.1 0.8 volume=0.322 peak=2047 ppm1=1.552 ppm2=7.450 assign ( resid 108 and name HN ) ( resid 105 and name HA ) 3.2 1.4 0.6 volume=0.958 peak=700 ppm1=6.917 ppm2=3.828 assign ( resid 80 and name HA ) ( resid 80 and name HB2 or resid 80 and name HB1 ) 2.4 0.6 0.5 volume=5.511 peak=1752 ppm1=3.926 ppm2=1.698 assign ( resid 71 and name HD1# ) ( resid 72 and name HN ) 3.3 1.5 0.7 volume=0.763 peak=1648 ppm1=0.915 ppm2=8.429 assign ( resid 95 and name HD1 ) ( resid 95 and name HB2 ) 2.6 0.8 0.5 volume=3.840 peak=1334 ppm1=1.344 ppm2=1.194 assign ( resid 86 and name HA ) ( resid 85 and name HG2 or resid 85 and name HG1 ) 4.2 2.4 0.8 volume=0.193 peak=952 ppm1=4.104 ppm2=2.105 assign ( resid 76 and name HN ) ( resid 75 and name HA ) 3.3 1.5 0.7 volume=0.781 peak=357 ppm1=8.458 ppm2=3.464 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 77 and name HG ) 3.8 2.0 0.8 volume=0.363 peak=2156 ppm1=2.566 ppm2=1.529 assign ( resid 96 and name HD1# ) ( resid 97 and name HN ) 3.6 1.8 0.7 volume=0.507 peak=985 ppm1=0.563 ppm2=8.699 assign ( resid 103 and name HD2# ) ( resid 103 and name HB1 ) 2.8 1.0 0.6 volume=2.275 peak=1070 ppm1=0.877 ppm2=1.149 assign ( resid 97 and name HN ) ( resid 89 and name HA ) 3.2 1.4 0.6 volume=1.065 peak=365 ppm1=8.693 ppm2=4.866 assign ( resid 93 and name HA ) ( resid 93 and name HB2 ) 2.9 1.1 0.6 volume=1.895 peak=2132 ppm1=5.000 ppm2=2.754 assign ( resid 75 and name HN ) ( resid 71 and name HN ) 3.9 2.1 0.8 volume=0.327 peak=268 ppm1=7.044 ppm2=6.753 assign ( resid 85 and name HA ) ( resid 85 and name HB2 ) 2.8 1.0 0.6 volume=2.238 peak=2243 ppm1=4.089 ppm2=1.795 assign ( resid 93 and name HN ) ( resid 90 and name HB2 ) 3.0 1.2 0.6 volume=1.544 peak=350 ppm1=7.743 ppm2=2.740 assign ( resid 69 and name HN ) ( resid 61 and name HA1 ) 3.2 1.4 0.6 volume=1.076 peak=537 ppm1=8.408 ppm2=4.531 assign ( resid 74 and name HD2# ) ( resid 75 and name HN ) 3.6 1.8 0.7 volume=0.505 peak=1723 ppm1=0.765 ppm2=7.069 assign ( resid 100 and name HA ) ( resid 104 and name HN ) 4.2 2.4 0.8 volume=0.197 peak=1918 ppm1=3.210 ppm2=8.133 assign ( resid 103 and name HB1 ) ( resid 97 and name HB1 ) 3.8 2.0 0.8 volume=0.358 peak=1760 ppm1=1.132 ppm2=2.672 assign ( resid 97 and name HD1 or resid 97 and name HD2 ) ( resid 103 and name HA ) 3.2 1.4 0.6 volume=1.094 peak=97 ppm1=7.101 ppm2=3.034 assign ( resid 65 and name HN ) ( resid 64 and name HA ) 3.2 1.4 0.6 volume=1.045 peak=447 ppm1=7.858 ppm2=4.134 assign ( resid 77 and name HN ) ( resid 77 and name HB2 ) 2.7 0.9 0.5 volume=2.749 peak=169 ppm1=7.293 ppm2=1.580 assign ( resid 94 and name HA2 ) ( resid 95 and name HN ) 3.3 1.5 0.7 volume=0.859 peak=1414 ppm1=4.088 ppm2=7.742 assign ( resid 94 and name HA2 ) ( resid 89 and name HD1 ) 3.5 1.7 0.7 volume=0.568 peak=1641 ppm1=4.093 ppm2=2.956 assign ( resid 95 and name HB1 ) ( resid 90 and name HB1 ) 4.2 2.4 0.8 volume=0.206 peak=1518 ppm1=1.261 ppm2=3.262 assign ( resid 109 and name HA ) ( resid 111 and name HN ) 3.8 2.0 0.8 volume=0.352 peak=1290 ppm1=3.774 ppm2=7.596 assign ( resid 97 and name HB1 ) ( resid 103 and name HD1# ) 4.2 2.4 0.8 volume=0.200 peak=1321 ppm1=2.667 ppm2=0.820 assign ( resid 64 and name HN ) ( resid 63 and name HB2 ) 3.4 1.6 0.7 volume=0.727 peak=112 ppm1=8.554 ppm2=1.944 assign ( resid 62 and name HB2 ) ( resid 62 and name HN ) 4.0 2.2 0.8 volume=0.273 peak=1484 ppm1=2.658 ppm2=8.884 assign ( resid 103 and name HB2 ) ( resid 103 and name HD2# ) 2.9 1.1 0.6 volume=1.629 peak=1243 ppm1=1.831 ppm2=0.878 assign ( resid 64 and name HN ) ( resid 66 and name HN ) 3.6 1.8 0.7 volume=0.536 peak=227 ppm1=8.554 ppm2=8.136 assign ( resid 95 and name HN ) ( resid 94 and name HA2 ) 3.2 1.4 0.6 volume=0.941 peak=369 ppm1=7.733 ppm2=4.077 assign ( resid 103 and name HA ) ( resid 103 and name HD1# ) 2.9 1.1 0.6 volume=1.666 peak=1386 ppm1=3.030 ppm2=0.815 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 69 and name HB2 ) 3.6 1.8 0.7 volume=0.512 peak=12 ppm1=6.136 ppm2=3.062 assign ( resid 76 and name HA ) ( resid 76 and name HD21 ) 4.0 2.2 0.8 volume=0.265 peak=1603 ppm1=4.201 ppm2=7.307 assign ( resid 75 and name HN ) ( resid 73 and name HA ) 3.7 1.9 0.7 volume=0.395 peak=292 ppm1=7.051 ppm2=3.913 assign ( resid 107 and name HG2 ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 4.0 2.2 0.8 volume=0.252 peak=2001 ppm1=2.700 ppm2=1.683 assign ( resid 75 and name HA ) ( resid 75 and name HB1 ) 3.7 1.9 0.7 volume=0.438 peak=1096 ppm1=3.467 ppm2=1.852 assign ( resid 93 and name HN ) ( resid 93 and name HB2 ) 3.0 1.2 0.6 volume=1.402 peak=323 ppm1=7.743 ppm2=2.767 assign ( resid 108 and name HB1 ) ( resid 109 and name HN ) 4.1 2.3 0.8 volume=0.230 peak=2118 ppm1=1.597 ppm2=7.813 assign ( resid 99 and name HG2# ) ( resid 102 and name HB2 ) 3.8 2.0 0.8 volume=0.369 peak=2115 ppm1=1.081 ppm2=2.711 assign ( resid 112 and name HN ) ( resid 111 and name HN ) 3.3 1.5 0.7 volume=0.825 peak=329 ppm1=7.867 ppm2=7.584 assign ( resid 72 and name HG11 ) ( resid 72 and name HA ) 3.9 2.1 0.8 volume=0.301 peak=1945 ppm1=0.710 ppm2=3.156 assign ( resid 82 and name HB1 ) ( resid 82 and name HE1 ) 4.2 2.4 0.8 volume=0.195 peak=2003 ppm1=3.015 ppm2=7.846 assign ( resid 91 and name HA ) ( resid 91 and name HG2 ) 2.8 1.0 0.6 volume=2.398 peak=1557 ppm1=3.998 ppm2=2.220 assign ( resid 108 and name HD1# ) ( resid 107 and name HB1 ) 3.6 1.8 0.7 volume=0.467 peak=1852 ppm1=0.707 ppm2=2.066 assign ( resid 77 and name HD2# ) ( resid 80 and name HD2 or resid 80 and name HD1 ) 2.3 0.5 0.5 volume=6.415 peak=2295 ppm1=0.736 ppm2=1.528 assign ( resid 88 and name HB1 ) ( resid 88 and name HN ) 3.6 1.8 0.7 volume=0.501 peak=2374 ppm1=2.631 ppm2=8.313 assign ( resid 74 and name HA ) ( resid 74 and name HD1# ) 3.3 1.5 0.7 volume=0.878 peak=975 ppm1=3.933 ppm2=1.037 assign ( resid 91 and name HG1 ) ( resid 91 and name HA ) 3.1 1.3 0.6 volume=1.265 peak=2054 ppm1=2.259 ppm2=3.999 assign ( resid 81 and name HA ) ( resid 81 and name HN ) 2.9 1.1 0.6 volume=1.953 peak=1668 ppm1=3.941 ppm2=7.631 assign ( resid 75 and name HN ) ( resid 75 and name HB1 ) 3.1 1.3 0.6 volume=1.144 peak=476 ppm1=7.048 ppm2=1.873 assign ( resid 60 and name HB1 ) ( resid 69 and name HN ) 4.2 2.4 0.8 volume=0.207 peak=1493 ppm1=2.841 ppm2=8.426 assign ( resid 95 and name HN ) ( resid 90 and name HB1 ) 2.9 1.1 0.6 volume=1.939 peak=422 ppm1=7.738 ppm2=3.255 assign ( resid 71 and name HN ) ( resid 74 and name HG ) 3.5 1.7 0.7 volume=0.629 peak=529 ppm1=6.745 ppm2=1.568 assign ( resid 65 and name HA ) ( resid 65 and name HB2 ) 2.8 1.0 0.6 volume=2.343 peak=2218 ppm1=5.000 ppm2=3.288 assign ( resid 94 and name HN ) ( resid 93 and name HA ) 3.4 1.6 0.7 volume=0.706 peak=765 ppm1=8.295 ppm2=4.989 assign ( resid 103 and name HD1# ) ( resid 95 and name HN ) 4.2 2.4 0.8 volume=0.205 peak=1566 ppm1=0.809 ppm2=7.734 assign ( resid 104 and name HA ) ( resid 105 and name HN ) 3.4 1.6 0.7 volume=0.711 peak=1055 ppm1=3.917 ppm2=7.544 assign ( resid 110 and name HD2 ) ( resid 110 and name HB1 ) 3.0 1.2 0.6 volume=1.366 peak=23 ppm1=6.610 ppm2=3.153 assign ( resid 64 and name HB1 ) ( resid 64 and name HG2 ) 3.4 1.6 0.7 volume=0.710 peak=2107 ppm1=1.337 ppm2=1.762 assign ( resid 72 and name HG2# ) ( resid 73 and name HN ) 3.7 1.9 0.7 volume=0.418 peak=1743 ppm1=0.582 ppm2=7.993 assign ( resid 69 and name HN ) ( resid 69 and name HD1 or resid 69 and name HD2 ) 3.3 1.5 0.7 volume=0.810 peak=838 ppm1=8.414 ppm2=6.889 assign ( resid 72 and name HA ) ( resid 72 and name HD1# ) 3.2 1.4 0.6 volume=0.914 peak=1194 ppm1=3.160 ppm2=0.556 assign ( resid 85 and name HG1 ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 4.0 2.2 0.8 volume=0.245 peak=1785 ppm1=2.131 ppm2=2.827 assign ( resid 107 and name HB2 ) ( resid 107 and name HE21 ) 4.5 2.7 0.9 volume=0.134 peak=1949 ppm1=2.107 ppm2=7.500 assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 3.1 1.3 0.6 volume=1.230 peak=181 ppm1=8.334 ppm2=3.518 assign ( resid 93 and name HA ) ( resid 93 and name HB1 ) 2.8 1.0 0.6 volume=2.343 peak=2140 ppm1=5.000 ppm2=3.285 assign ( resid 75 and name HB1 ) ( resid 75 and name HA ) 4.1 2.3 0.8 volume=0.216 peak=885 ppm1=1.851 ppm2=3.468 assign ( resid 89 and name HD2 ) ( resid 96 and name HD2# ) 3.7 1.9 0.7 volume=0.410 peak=1291 ppm1=2.929 ppm2=0.686 assign ( resid 65 and name HN ) ( resid 65 and name HB1 ) 3.5 1.7 0.7 volume=0.547 peak=847 ppm1=7.855 ppm2=2.759 assign ( resid 105 and name HG1 ) ( resid 105 and name HD2 or resid 105 and name HD1 ) 2.7 0.9 0.5 volume=2.691 peak=1129 ppm1=1.440 ppm2=3.045 assign ( resid 75 and name HD2# ) ( resid 75 and name HB1 ) 3.0 1.2 0.6 volume=1.351 peak=1299 ppm1=0.848 ppm2=1.853 assign ( resid 92 and name HN ) ( resid 90 and name HB1 ) 3.5 1.7 0.7 volume=0.591 peak=454 ppm1=8.365 ppm2=3.256 assign ( resid 96 and name HB1 ) ( resid 96 and name HD1# ) 3.5 1.7 0.7 volume=0.614 peak=1256 ppm1=1.315 ppm2=0.566 assign ( resid 106 and name HB1 ) ( resid 106 and name HA ) 3.6 1.8 0.7 volume=0.525 peak=1179 ppm1=2.589 ppm2=4.048 assign ( resid 74 and name HD1# ) ( resid 74 and name HB2 ) 3.1 1.3 0.6 volume=1.315 peak=936 ppm1=1.042 ppm2=1.750 assign ( resid 108 and name HB2 ) ( resid 108 and name HD2# ) 3.0 1.2 0.6 volume=1.551 peak=1619 ppm1=1.351 ppm2=0.805 assign ( resid 96 and name HN ) ( resid 96 and name HD1# ) 3.3 1.5 0.7 volume=0.862 peak=553 ppm1=7.581 ppm2=0.568 assign ( resid 76 and name HB2 or resid 76 and name HB1 ) ( resid 75 and name HD2# ) 3.8 2.0 0.8 volume=0.343 peak=1063 ppm1=2.578 ppm2=0.871 assign ( resid 88 and name HN ) ( resid 87 and name HG2 ) 3.2 1.4 0.6 volume=0.922 peak=2372 ppm1=8.307 ppm2=1.207 assign ( resid 97 and name HB1 ) ( resid 99 and name HN ) 3.5 1.7 0.7 volume=0.537 peak=1624 ppm1=2.659 ppm2=7.058 assign ( resid 84 and name HA2 or resid 84 and name HA1 ) ( resid 98 and name HG2# ) 3.8 2.0 0.8 volume=0.332 peak=990 ppm1=3.857 ppm2=1.129 assign ( resid 65 and name HN ) ( resid 64 and name HN ) 3.0 1.2 0.6 volume=1.498 peak=141 ppm1=7.855 ppm2=8.557 assign ( resid 108 and name HB2 ) ( resid 108 and name HG ) 3.1 1.3 0.6 volume=1.262 peak=2188 ppm1=1.349 ppm2=1.696 assign ( resid 106 and name HN ) ( resid 106 and name HA ) 2.8 1.0 0.6 volume=2.328 peak=380 ppm1=7.304 ppm2=4.044 assign ( resid 101 and name HA2 ) ( resid 104 and name HD1 or resid 104 and name HD2 ) 3.7 1.9 0.7 volume=0.442 peak=2145 ppm1=3.657 ppm2=1.496 assign ( resid 65 and name HA ) ( resid 65 and name HB1 ) 2.9 1.1 0.6 volume=1.895 peak=1593 ppm1=4.999 ppm2=2.749 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 90 and name HB1 ) 3.3 1.5 0.7 volume=0.781 peak=89 ppm1=6.682 ppm2=3.251 assign ( resid 64 and name HN ) ( resid 64 and name HG1 ) 3.2 1.4 0.6 volume=1.009 peak=654 ppm1=8.554 ppm2=1.591 assign ( resid 71 and name HD1# ) ( resid 70 and name HB1 or resid 70 and name HB2 ) 3.2 1.4 0.6 volume=1.016 peak=2037 ppm1=0.913 ppm2=1.812 assign ( resid 66 and name HA2 ) ( resid 66 and name HN ) 3.2 1.4 0.6 volume=0.945 peak=1411 ppm1=3.676 ppm2=8.127 assign ( resid 107 and name HN ) ( resid 104 and name HA ) 3.0 1.2 0.6 volume=1.467 peak=249 ppm1=8.024 ppm2=3.908 assign ( resid 94 and name HA1 ) ( resid 94 and name HA2 ) 2.9 1.1 0.6 volume=1.686 peak=1165 ppm1=3.575 ppm2=4.091 assign ( resid 102 and name HB2 ) ( resid 102 and name HA ) 4.2 2.4 0.8 volume=0.183 peak=1215 ppm1=2.729 ppm2=4.339 assign ( resid 107 and name HE22 ) ( resid 103 and name HD1# ) 3.5 1.7 0.7 volume=0.582 peak=694 ppm1=6.926 ppm2=0.805 assign ( resid 71 and name HN ) ( resid 71 and name HB1 ) 3.4 1.6 0.7 volume=0.743 peak=153 ppm1=6.744 ppm2=1.352 assign ( resid 104 and name HG1 ) ( resid 104 and name HN ) 3.6 1.8 0.7 volume=0.456 peak=1516 ppm1=1.265 ppm2=8.128 assign ( resid 77 and name HD1# ) ( resid 77 and name HB2 ) 2.3 0.5 0.5 volume=6.845 peak=1528 ppm1=0.713 ppm2=1.562 assign ( resid 79 and name HA ) ( resid 78 and name HD2 ) 3.6 1.8 0.7 volume=0.513 peak=1971 ppm1=3.469 ppm2=6.722 assign ( resid 62 and name HB1 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.6 1.8 0.7 volume=0.504 peak=1983 ppm1=3.225 ppm2=0.871 assign ( resid 108 and name HD1# ) ( resid 108 and name HB1 ) 2.4 0.6 0.5 volume=5.325 peak=2010 ppm1=0.709 ppm2=1.581 assign ( resid 104 and name HN ) ( resid 103 and name HD1# ) 3.3 1.5 0.7 volume=0.873 peak=349 ppm1=8.127 ppm2=0.827 assign ( resid 77 and name HA ) ( resid 77 and name HB2 ) 2.5 0.7 0.5 volume=4.596 peak=1871 ppm1=3.907 ppm2=1.569 assign ( resid 103 and name HB2 ) ( resid 88 and name HB1 ) 3.7 1.9 0.7 volume=0.397 peak=2326 ppm1=1.825 ppm2=2.646 assign ( resid 109 and name HG2# ) ( resid 109 and name HG1# ) 2.4 0.6 0.5 volume=4.997 peak=1051 ppm1=0.487 ppm2=0.320 assign ( resid 108 and name HD2# ) ( resid 108 and name HG ) 2.6 0.8 0.5 volume=3.900 peak=2075 ppm1=0.798 ppm2=1.689 assign ( resid 74 and name HB2 ) ( resid 74 and name HA ) 4.4 2.6 0.9 volume=0.150 peak=1464 ppm1=1.753 ppm2=3.950 assign ( resid 72 and name HA ) ( resid 72 and name HG2# ) 3.2 1.4 0.6 volume=1.066 peak=1512 ppm1=3.160 ppm2=0.579 assign ( resid 88 and name HE1 or resid 88 and name HE2 ) ( resid 88 and name HN ) 3.3 1.5 0.7 volume=0.812 peak=2366 ppm1=6.671 ppm2=8.315 assign ( resid 86 and name HB# ) ( resid 96 and name HD2# ) 3.3 1.5 0.7 volume=0.776 peak=1814 ppm1=1.068 ppm2=0.688 assign ( resid 104 and name HN ) ( resid 104 and name HA ) 2.8 1.0 0.6 volume=2.143 peak=487 ppm1=8.127 ppm2=3.906 assign ( resid 65 and name HB1 ) ( resid 65 and name HB2 ) 2.6 0.8 0.5 volume=3.791 peak=2248 ppm1=2.748 ppm2=3.283 assign ( resid 67 and name HN ) ( resid 62 and name HN ) 4.2 2.4 0.8 volume=0.186 peak=538 ppm1=7.826 ppm2=8.865 assign ( resid 108 and name HB2 ) ( resid 109 and name HN ) 4.0 2.2 0.8 volume=0.244 peak=1824 ppm1=1.355 ppm2=7.814 assign ( resid 87 and name HA ) ( resid 96 and name HD1# ) 3.9 2.1 0.8 volume=0.326 peak=1587 ppm1=4.191 ppm2=0.550 assign ( resid 91 and name HN ) ( resid 103 and name HD1# ) 3.5 1.7 0.7 volume=0.623 peak=688 ppm1=9.399 ppm2=0.826 assign ( resid 78 and name HA ) ( resid 78 and name HN ) 3.3 1.5 0.7 volume=0.837 peak=2049 ppm1=3.989 ppm2=7.449 assign ( resid 87 and name HN ) ( resid 87 and name HG2 ) 2.7 0.9 0.5 volume=3.070 peak=2328 ppm1=7.710 ppm2=1.206 assign ( resid 87 and name HA ) ( resid 87 and name HD1 ) 3.5 1.7 0.7 volume=0.601 peak=2302 ppm1=4.187 ppm2=2.930 assign ( resid 77 and name HD1# ) ( resid 80 and name HN ) 3.8 2.0 0.8 volume=0.340 peak=1471 ppm1=0.713 ppm2=7.095 assign ( resid 110 and name HB1 ) ( resid 110 and name HE1 ) 4.2 2.4 0.8 volume=0.183 peak=1238 ppm1=3.144 ppm2=7.844 assign ( resid 66 and name HN ) ( resid 65 and name HN ) 3.0 1.2 0.6 volume=1.595 peak=669 ppm1=8.125 ppm2=7.876 assign ( resid 96 and name HD2# ) ( resid 89 and name HA ) 4.7 2.9 0.9 volume=0.105 peak=1664 ppm1=0.684 ppm2=4.851 assign ( resid 70 and name HG2 or resid 70 and name HG1 ) ( resid 70 and name HN ) 4.6 2.8 0.9 volume=0.112 peak=1487 ppm1=1.664 ppm2=9.268 assign ( resid 96 and name HB2 ) ( resid 96 and name HD1# ) 3.3 1.5 0.7 volume=0.844 peak=1012 ppm1=1.054 ppm2=0.565 assign ( resid 71 and name HN ) ( resid 70 and name HA ) 3.8 2.0 0.8 volume=0.380 peak=228 ppm1=6.742 ppm2=4.333 assign ( resid 107 and name HG1 ) ( resid 107 and name HN ) 3.5 1.7 0.7 volume=0.561 peak=2021 ppm1=2.640 ppm2=8.023 assign ( resid 88 and name HB2 ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=1.069 peak=2300 ppm1=2.754 ppm2=0.880 assign ( resid 103 and name HN ) ( resid 100 and name HN ) 3.7 1.9 0.7 volume=0.406 peak=309 ppm1=7.220 ppm2=8.337 assign ( resid 71 and name HN ) ( resid 74 and name HA ) 4.5 2.7 0.9 volume=0.135 peak=295 ppm1=6.738 ppm2=3.941 assign ( resid 74 and name HD2# ) ( resid 74 and name HN ) 3.5 1.7 0.7 volume=0.576 peak=1738 ppm1=0.763 ppm2=6.400 assign ( resid 100 and name HA ) ( resid 100 and name HN ) 4.0 2.2 0.8 volume=0.282 peak=1810 ppm1=3.215 ppm2=8.335 assign ( resid 106 and name HB1 ) ( resid 106 and name HB2 ) 3.1 1.3 0.6 volume=1.333 peak=2011 ppm1=2.588 ppm2=2.813 assign ( resid 107 and name HB2 ) ( resid 107 and name HB1 ) 2.5 0.7 0.5 volume=4.936 peak=2034 ppm1=2.125 ppm2=2.057 assign ( resid 78 and name HN ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.6 1.8 0.7 volume=0.487 peak=604 ppm1=7.446 ppm2=0.896 assign ( resid 103 and name HD2# ) ( resid 103 and name HG ) 2.6 0.8 0.5 volume=3.195 peak=2217 ppm1=0.879 ppm2=1.300 assign ( resid 97 and name HB2 ) ( resid 97 and name HB1 ) 3.1 1.3 0.6 volume=1.207 peak=1970 ppm1=3.114 ppm2=2.659 assign ( resid 85 and name HG1 ) ( resid 85 and name HB1 ) 2.4 0.6 0.5 volume=5.686 peak=1986 ppm1=2.124 ppm2=1.856 assign ( resid 99 and name HN ) ( resid 97 and name HB2 ) 2.9 1.1 0.6 volume=1.862 peak=278 ppm1=7.047 ppm2=3.107 assign ( resid 72 and name HB ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 4.1 2.3 0.8 volume=0.228 peak=1650 ppm1=0.882 ppm2=6.827 assign ( resid 103 and name HN ) ( resid 102 and name HB2 ) 2.9 1.1 0.6 volume=1.885 peak=122 ppm1=7.219 ppm2=2.742 assign ( resid 65 and name HN ) ( resid 65 and name HB2 ) 3.3 1.5 0.7 volume=0.892 peak=420 ppm1=7.857 ppm2=3.300 assign ( resid 95 and name HB2 ) ( resid 95 and name HD1 ) 2.5 0.7 0.5 volume=4.235 peak=2255 ppm1=1.193 ppm2=1.344 assign ( resid 67 and name HN ) ( resid 62 and name HB1 ) 3.5 1.7 0.7 volume=0.609 peak=766 ppm1=7.825 ppm2=3.238 assign ( resid 106 and name HB2 ) ( resid 106 and name HN ) 3.2 1.4 0.6 volume=1.037 peak=1614 ppm1=2.816 ppm2=7.303 assign ( resid 91 and name HB1 ) ( resid 91 and name HN ) 3.9 2.1 0.8 volume=0.317 peak=1367 ppm1=1.891 ppm2=9.399 assign ( resid 75 and name HD1# ) ( resid 78 and name HN ) 4.2 2.4 0.8 volume=0.203 peak=2076 ppm1=0.893 ppm2=7.451 assign ( resid 103 and name HA ) ( resid 106 and name HB1 ) 3.5 1.7 0.7 volume=0.620 peak=1057 ppm1=3.029 ppm2=2.588 assign ( resid 94 and name HA2 ) ( resid 94 and name HA1 ) 2.7 0.9 0.5 volume=2.760 peak=1741 ppm1=4.088 ppm2=3.569 assign ( resid 99 and name HG2# ) ( resid 102 and name HD22 ) 3.6 1.8 0.7 volume=0.485 peak=1124 ppm1=1.080 ppm2=7.013 assign ( resid 69 and name HB2 ) ( resid 71 and name HN ) 4.1 2.3 0.8 volume=0.217 peak=1859 ppm1=3.060 ppm2=6.752 assign ( resid 96 and name HN ) ( resid 97 and name HN ) 3.9 2.1 0.8 volume=0.305 peak=853 ppm1=7.576 ppm2=8.703 assign ( resid 77 and name HG ) ( resid 77 and name HA ) 3.2 1.4 0.6 volume=1.055 peak=1300 ppm1=1.547 ppm2=3.904 assign ( resid 102 and name HB1 ) ( resid 102 and name HN ) 4.2 2.4 0.8 volume=0.188 peak=1337 ppm1=2.824 ppm2=7.862 assign ( resid 91 and name HB1 ) ( resid 91 and name HB2 ) 2.2 0.4 0.4 volume=8.800 peak=1180 ppm1=1.891 ppm2=1.997 assign ( resid 108 and name HD1# ) ( resid 108 and name HG ) 2.5 0.7 0.5 volume=4.640 peak=905 ppm1=0.707 ppm2=1.684 assign ( resid 75 and name HD1# ) ( resid 60 and name HB1 ) 3.6 1.8 0.7 volume=0.463 peak=1109 ppm1=0.888 ppm2=2.831 assign ( resid 87 and name HN ) ( resid 96 and name HB1 ) 2.7 0.9 0.5 volume=2.820 peak=2305 ppm1=7.708 ppm2=1.329 assign ( resid 78 and name HD2 ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.0 1.2 0.6 volume=1.549 peak=27 ppm1=6.723 ppm2=0.883 assign ( resid 109 and name HB ) ( resid 109 and name HN ) 3.1 1.3 0.6 volume=1.296 peak=1625 ppm1=1.784 ppm2=7.807 assign ( resid 94 and name HN ) ( resid 90 and name HB1 ) 3.1 1.3 0.6 volume=1.244 peak=494 ppm1=8.295 ppm2=3.258 assign ( resid 80 and name HN ) ( resid 79 and name HA ) 3.4 1.6 0.7 volume=0.727 peak=187 ppm1=7.096 ppm2=3.477 assign ( resid 105 and name HG2 ) ( resid 105 and name HA ) 3.3 1.5 0.7 volume=0.784 peak=2150 ppm1=1.571 ppm2=3.845 assign ( resid 91 and name HB2 ) ( resid 92 and name HN ) 3.7 1.9 0.7 volume=0.411 peak=1806 ppm1=1.991 ppm2=8.362 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 95 and name HG1 ) 3.5 1.7 0.7 volume=0.614 peak=67 ppm1=6.685 ppm2=1.014 assign ( resid 69 and name HN ) ( resid 70 and name HN ) 4.5 2.7 0.9 volume=0.136 peak=384 ppm1=8.412 ppm2=9.269 assign ( resid 66 and name HN ) ( resid 66 and name HA1 ) 2.9 1.1 0.6 volume=1.801 peak=655 ppm1=8.123 ppm2=4.111 assign ( resid 95 and name HA ) ( resid 95 and name HB2 ) 3.1 1.3 0.6 volume=1.321 peak=1906 ppm1=3.838 ppm2=1.193 assign ( resid 108 and name HN ) ( resid 107 and name HB2 ) 3.4 1.6 0.7 volume=0.706 peak=518 ppm1=6.920 ppm2=2.144 assign ( resid 107 and name HB2 ) ( resid 107 and name HN ) 3.4 1.6 0.7 volume=0.653 peak=1881 ppm1=2.125 ppm2=8.028 assign ( resid 65 and name HN ) ( resid 62 and name HB1 ) 3.2 1.4 0.6 volume=1.082 peak=236 ppm1=7.854 ppm2=3.242 assign ( resid 71 and name HN ) ( resid 70 and name HB1 or resid 70 and name HB2 ) 3.2 1.4 0.6 volume=1.031 peak=250 ppm1=6.744 ppm2=1.823 assign ( resid 90 and name HB2 ) ( resid 106 and name HD2 ) 3.1 1.3 0.6 volume=1.239 peak=901 ppm1=2.730 ppm2=6.682 assign ( resid 77 and name HN ) ( resid 76 and name HB2 or resid 76 and name HB1 ) 3.0 1.2 0.6 volume=1.376 peak=659 ppm1=7.292 ppm2=2.575 assign ( resid 87 and name HN ) ( resid 87 and name HG1 ) 2.8 1.0 0.6 volume=2.305 peak=2310 ppm1=7.710 ppm2=1.132 assign ( resid 104 and name HB2 ) ( resid 104 and name HN ) 2.8 1.0 0.6 volume=2.219 peak=1503 ppm1=1.677 ppm2=8.128 assign ( resid 95 and name HA ) ( resid 95 and name HB1 ) 3.0 1.2 0.6 volume=1.548 peak=2043 ppm1=3.840 ppm2=1.269 assign ( resid 74 and name HN ) ( resid 72 and name HA ) 4.0 2.2 0.8 volume=0.279 peak=696 ppm1=6.394 ppm2=3.131 assign ( resid 97 and name HB2 ) ( resid 99 and name HN ) 3.4 1.6 0.7 volume=0.714 peak=1007 ppm1=3.114 ppm2=7.057 assign ( resid 72 and name HG2# ) ( resid 76 and name HB2 or resid 76 and name HB1 ) 4.0 2.2 0.8 volume=0.279 peak=2197 ppm1=0.583 ppm2=2.577 assign ( resid 93 and name HN ) ( resid 93 and name HA ) 3.0 1.2 0.6 volume=1.470 peak=219 ppm1=7.744 ppm2=4.990 assign ( resid 72 and name HD1# ) ( resid 60 and name HB1 ) 3.9 2.1 0.8 volume=0.314 peak=1555 ppm1=0.555 ppm2=2.825 assign ( resid 85 and name HN ) ( resid 85 and name HG1 ) 3.2 1.4 0.6 volume=1.033 peak=194 ppm1=7.943 ppm2=2.111 assign ( resid 103 and name HN ) ( resid 103 and name HB1 ) 2.8 1.0 0.6 volume=2.012 peak=841 ppm1=7.219 ppm2=1.137 assign ( resid 90 and name HN ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 3.1 1.3 0.6 volume=1.272 peak=559 ppm1=9.130 ppm2=1.112 assign ( resid 71 and name HD2# ) ( resid 70 and name HB1 or resid 70 and name HB2 ) 3.3 1.5 0.7 volume=0.899 peak=1154 ppm1=0.809 ppm2=1.812 assign ( resid 110 and name HN ) ( resid 110 and name HB1 ) 2.9 1.1 0.6 volume=1.742 peak=132 ppm1=7.117 ppm2=3.138 assign ( resid 65 and name HN ) ( resid 65 and name HA ) 3.3 1.5 0.7 volume=0.805 peak=441 ppm1=7.854 ppm2=4.982 assign ( resid 95 and name HA ) ( resid 95 and name HN ) 3.1 1.3 0.6 volume=1.180 peak=1283 ppm1=3.838 ppm2=7.737 assign ( resid 97 and name HB1 ) ( resid 98 and name HG2# ) 4.3 2.5 0.9 volume=0.161 peak=1514 ppm1=2.660 ppm2=1.128 assign ( resid 107 and name HA ) ( resid 110 and name HD2 ) 3.0 1.2 0.6 volume=1.406 peak=2285 ppm1=3.455 ppm2=6.613 assign ( resid 102 and name HA ) ( resid 102 and name HB1 ) 4.1 2.3 0.8 volume=0.230 peak=1233 ppm1=4.338 ppm2=2.807 assign ( resid 109 and name HB ) ( resid 109 and name HA ) 2.8 1.0 0.6 volume=2.279 peak=1025 ppm1=1.782 ppm2=3.773 assign ( resid 95 and name HN ) ( resid 95 and name HG1 ) 3.0 1.2 0.6 volume=1.401 peak=275 ppm1=7.734 ppm2=1.045 assign ( resid 76 and name HD22 ) ( resid 76 and name HB2 or resid 76 and name HB1 ) 3.3 1.5 0.7 volume=0.880 peak=159 ppm1=6.589 ppm2=2.569 assign ( resid 75 and name HD2# ) ( resid 76 and name HN ) 3.6 1.8 0.7 volume=0.504 peak=2205 ppm1=0.847 ppm2=8.462 assign ( resid 75 and name HA ) ( resid 75 and name HD2# ) 3.4 1.6 0.7 volume=0.739 peak=1073 ppm1=3.465 ppm2=0.847 assign ( resid 62 and name HB2 ) ( resid 67 and name HN ) 3.8 2.0 0.8 volume=0.352 peak=2061 ppm1=2.664 ppm2=7.828 assign ( resid 65 and name HB2 ) ( resid 65 and name HN ) 3.0 1.2 0.6 volume=1.396 peak=2249 ppm1=3.283 ppm2=7.856 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 69 and name HN ) 3.2 1.4 0.6 volume=0.988 peak=58 ppm1=6.904 ppm2=8.422 assign ( resid 98 and name HG2# ) ( resid 85 and name HG2 ) 4.3 2.5 0.9 volume=0.175 peak=1093 ppm1=1.129 ppm2=2.086 assign ( resid 97 and name HN ) ( resid 88 and name HB1 ) 3.0 1.2 0.6 volume=1.586 peak=690 ppm1=8.695 ppm2=2.651 assign ( resid 74 and name HD1# ) ( resid 74 and name HD2# ) 2.5 0.7 0.5 volume=4.048 peak=1802 ppm1=1.041 ppm2=0.770 assign ( resid 72 and name HB ) ( resid 72 and name HG12 ) 3.0 1.2 0.6 volume=1.508 peak=1774 ppm1=0.883 ppm2=0.785 assign ( resid 103 and name HD2# ) ( resid 104 and name HA ) 4.2 2.4 0.8 volume=0.208 peak=886 ppm1=0.878 ppm2=3.901 assign ( resid 108 and name HA ) ( resid 108 and name HB1 ) 2.5 0.7 0.5 volume=3.977 peak=1772 ppm1=3.946 ppm2=1.594 assign ( resid 108 and name HG ) ( resid 108 and name HD2# ) 3.1 1.3 0.6 volume=1.167 peak=1640 ppm1=1.684 ppm2=0.800 assign ( resid 75 and name HN ) ( resid 75 and name HB2 ) 3.1 1.3 0.6 volume=1.224 peak=809 ppm1=7.047 ppm2=1.272 assign ( resid 86 and name HN ) ( resid 85 and name HN ) 3.9 2.1 0.8 volume=0.323 peak=635 ppm1=8.204 ppm2=7.931 assign ( resid 75 and name HD1# ) ( resid 62 and name HB1 ) 3.4 1.6 0.7 volume=0.721 peak=2224 ppm1=0.890 ppm2=3.216 assign ( resid 108 and name HB1 ) ( resid 108 and name HB2 ) 2.6 0.8 0.5 volume=3.204 peak=1472 ppm1=1.584 ppm2=1.358 assign ( resid 65 and name HB2 ) ( resid 65 and name HA ) 3.3 1.5 0.7 volume=0.884 peak=2292 ppm1=3.283 ppm2=4.988 assign ( resid 75 and name HD1# ) ( resid 75 and name HN ) 3.7 1.9 0.7 volume=0.414 peak=1239 ppm1=0.891 ppm2=7.052 assign ( resid 64 and name HG2 ) ( resid 64 and name HN ) 3.9 2.1 0.8 volume=0.284 peak=946 ppm1=1.756 ppm2=8.559 assign ( resid 99 and name HG2# ) ( resid 102 and name HN ) 3.9 2.1 0.8 volume=0.314 peak=1665 ppm1=1.081 ppm2=7.839 assign ( resid 107 and name HA ) ( resid 109 and name HG2# ) 4.5 2.7 0.9 volume=0.125 peak=1634 ppm1=3.451 ppm2=0.483 assign ( resid 83 and name HN ) ( resid 83 and name HA ) 3.3 1.5 0.7 volume=0.877 peak=229 ppm1=7.742 ppm2=4.320 assign ( resid 82 and name HB2 ) ( resid 82 and name HD2 ) 3.5 1.7 0.7 volume=0.576 peak=2019 ppm1=3.136 ppm2=6.607 assign ( resid 108 and name HA ) ( resid 108 and name HB2 ) 2.4 0.6 0.5 volume=5.793 peak=1540 ppm1=3.944 ppm2=1.366 assign ( resid 102 and name HN ) ( resid 102 and name HA ) 3.0 1.2 0.6 volume=1.516 peak=310 ppm1=7.854 ppm2=4.324 assign ( resid 100 and name HA ) ( resid 103 and name HG ) 3.8 2.0 0.8 volume=0.332 peak=2134 ppm1=3.211 ppm2=1.308 assign ( resid 110 and name HD2 ) ( resid 109 and name HG1# ) 3.6 1.8 0.7 volume=0.500 peak=20 ppm1=6.609 ppm2=0.323 assign ( resid 90 and name HN ) ( resid 90 and name HB2 ) 3.0 1.2 0.6 volume=1.589 peak=831 ppm1=9.126 ppm2=2.733 assign ( resid 94 and name HA1 ) ( resid 89 and name HB2 ) 4.2 2.4 0.8 volume=0.199 peak=866 ppm1=3.579 ppm2=1.281 assign ( resid 77 and name HB1 ) ( resid 77 and name HD2# ) 2.7 0.9 0.5 volume=2.988 peak=1779 ppm1=1.430 ppm2=0.744 assign ( resid 77 and name HD2# ) ( resid 77 and name HB1 ) 2.4 0.6 0.5 volume=5.621 peak=1219 ppm1=0.741 ppm2=1.428 assign ( resid 104 and name HD1 or resid 104 and name HD2 ) ( resid 104 and name HN ) 3.7 1.9 0.7 volume=0.445 peak=2111 ppm1=1.482 ppm2=8.125 assign ( resid 75 and name HA ) ( resid 78 and name HB2 ) 3.7 1.9 0.7 volume=0.390 peak=1851 ppm1=3.463 ppm2=3.186 assign ( resid 60 and name HN ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.4 1.6 0.7 volume=0.751 peak=726 ppm1=7.702 ppm2=6.821 assign ( resid 103 and name HB1 ) ( resid 100 and name HA ) 4.2 2.4 0.8 volume=0.205 peak=1860 ppm1=1.131 ppm2=3.208 assign ( resid 100 and name HN ) ( resid 99 and name HN ) 4.0 2.2 0.8 volume=0.275 peak=646 ppm1=8.336 ppm2=7.048 assign ( resid 77 and name HA ) ( resid 80 and name HN ) 3.2 1.4 0.6 volume=1.046 peak=2165 ppm1=3.908 ppm2=7.092 assign ( resid 65 and name HN ) ( resid 66 and name HA1 ) 3.1 1.3 0.6 volume=1.170 peak=315 ppm1=7.855 ppm2=4.102 assign ( resid 64 and name HG2 ) ( resid 64 and name HB2 ) 3.1 1.3 0.6 volume=1.161 peak=2024 ppm1=1.761 ppm2=1.388 assign ( resid 94 and name HN ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 3.5 1.7 0.7 volume=0.634 peak=436 ppm1=8.294 ppm2=1.106 assign ( resid 107 and name HB1 ) ( resid 107 and name HB2 ) 2.3 0.5 0.5 volume=6.394 peak=1353 ppm1=2.050 ppm2=2.123 assign ( resid 65 and name HN ) ( resid 66 and name HN ) 2.8 1.0 0.6 volume=2.084 peak=424 ppm1=7.855 ppm2=8.114 assign ( resid 82 and name HD2 ) ( resid 79 and name HA ) 2.8 1.0 0.6 volume=2.291 peak=54 ppm1=6.609 ppm2=3.480 assign ( resid 85 and name HA ) ( resid 86 and name HN ) 3.3 1.5 0.7 volume=0.872 peak=1370 ppm1=4.090 ppm2=8.187 assign ( resid 104 and name HB1 ) ( resid 103 and name HN ) 3.9 2.1 0.8 volume=0.306 peak=1394 ppm1=1.675 ppm2=7.237 assign ( resid 87 and name HB2 or resid 87 and name HB1 ) ( resid 87 and name HN ) 3.6 1.8 0.7 volume=0.534 peak=2337 ppm1=1.359 ppm2=7.709 assign ( resid 100 and name HA ) ( resid 100 and name HB1 ) 3.1 1.3 0.6 volume=1.151 peak=1059 ppm1=3.213 ppm2=3.357 assign ( resid 104 and name HA ) ( resid 104 and name HN ) 3.0 1.2 0.6 volume=1.447 peak=2264 ppm1=3.914 ppm2=8.131 assign ( resid 106 and name HB2 ) ( resid 107 and name HN ) 3.8 2.0 0.8 volume=0.350 peak=1838 ppm1=2.818 ppm2=8.025 assign ( resid 103 and name HN ) ( resid 102 and name HA ) 3.4 1.6 0.7 volume=0.733 peak=781 ppm1=7.219 ppm2=4.327 assign ( resid 70 and name HN ) ( resid 69 and name HB1 ) 4.3 2.5 0.9 volume=0.165 peak=335 ppm1=9.262 ppm2=2.529 assign ( resid 109 and name HB ) ( resid 109 and name HG1# ) 2.7 0.9 0.5 volume=3.032 peak=2223 ppm1=1.780 ppm2=0.320 assign ( resid 108 and name HD2# ) ( resid 108 and name HB1 ) 2.5 0.7 0.5 volume=3.977 peak=1977 ppm1=0.798 ppm2=1.600 assign ( resid 103 and name HB1 ) ( resid 103 and name HN ) 3.7 1.9 0.7 volume=0.396 peak=1861 ppm1=1.131 ppm2=7.220 assign ( resid 81 and name HA ) ( resid 81 and name HD2 ) 3.4 1.6 0.7 volume=0.681 peak=1627 ppm1=3.936 ppm2=2.956 assign ( resid 96 and name HB2 ) ( resid 96 and name HG ) 3.2 1.4 0.6 volume=1.095 peak=1431 ppm1=1.054 ppm2=1.428 assign ( resid 73 and name HN ) ( resid 72 and name HN ) 3.8 2.0 0.8 volume=0.372 peak=602 ppm1=7.961 ppm2=8.419 assign ( resid 92 and name HN ) ( resid 91 and name HN ) 2.8 1.0 0.6 volume=2.116 peak=846 ppm1=8.370 ppm2=9.398 assign ( resid 97 and name HB1 ) ( resid 99 and name HG2# ) 4.3 2.5 0.9 volume=0.159 peak=1304 ppm1=2.656 ppm2=1.094 assign ( resid 65 and name HN ) ( resid 66 and name HA2 ) 3.5 1.7 0.7 volume=0.617 peak=460 ppm1=7.852 ppm2=3.680 assign ( resid 75 and name HA ) ( resid 78 and name HN ) 4.1 2.3 0.8 volume=0.243 peak=977 ppm1=3.467 ppm2=7.445 assign ( resid 91 and name HG1 ) ( resid 91 and name HN ) 4.2 2.4 0.8 volume=0.205 peak=1065 ppm1=2.260 ppm2=9.403 assign ( resid 106 and name HB2 ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 4.1 2.3 0.8 volume=0.242 peak=1273 ppm1=2.814 ppm2=7.125 assign ( resid 76 and name HA ) ( resid 80 and name HN ) 4.2 2.4 0.8 volume=0.183 peak=896 ppm1=4.201 ppm2=7.094 assign ( resid 88 and name HB2 ) ( resid 88 and name HD1 or resid 88 and name HD2 ) 3.3 1.5 0.7 volume=0.857 peak=2313 ppm1=2.754 ppm2=6.812 assign ( resid 78 and name HA ) ( resid 81 and name HB2 ) 3.3 1.5 0.7 volume=0.808 peak=1163 ppm1=3.988 ppm2=1.496 assign ( resid 81 and name HA ) ( resid 82 and name HN ) 3.2 1.4 0.6 volume=1.051 peak=1499 ppm1=3.936 ppm2=7.139 assign ( resid 69 and name HB1 ) ( resid 75 and name HD1# ) 4.1 2.3 0.8 volume=0.221 peak=1204 ppm1=2.523 ppm2=0.893 assign ( resid 108 and name HD1# ) ( resid 105 and name HA ) 3.1 1.3 0.6 volume=1.177 peak=1623 ppm1=0.708 ppm2=3.829 assign ( resid 103 and name HD1# ) ( resid 107 and name HB1 ) 3.8 2.0 0.8 volume=0.346 peak=2209 ppm1=0.806 ppm2=2.043 assign ( resid 86 and name HA ) ( resid 96 and name HD2# ) 4.3 2.5 0.9 volume=0.180 peak=2242 ppm1=4.101 ppm2=0.678 assign ( resid 98 and name HG2# ) ( resid 85 and name HG1 ) 4.3 2.5 0.9 volume=0.167 peak=874 ppm1=1.129 ppm2=2.119 assign ( resid 107 and name HN ) ( resid 107 and name HG1 ) 2.6 0.8 0.5 volume=3.200 peak=615 ppm1=8.027 ppm2=2.656 assign ( resid 60 and name HN ) ( resid 68 and name HB1 ) 3.5 1.7 0.7 volume=0.567 peak=463 ppm1=7.707 ppm2=3.480 assign ( resid 81 and name HA ) ( resid 81 and name HG2 or resid 81 and name HG1 ) 2.4 0.6 0.5 volume=5.458 peak=1570 ppm1=3.940 ppm2=1.324 assign ( resid 87 and name HG1 ) ( resid 87 and name HA ) 4.0 2.2 0.8 volume=0.281 peak=2377 ppm1=1.131 ppm2=4.162 assign ( resid 69 and name HD1 or resid 69 and name HD2 ) ( resid 74 and name HB2 ) 3.2 1.4 0.6 volume=0.926 peak=40 ppm1=6.905 ppm2=1.766 assign ( resid 103 and name HB2 ) ( resid 103 and name HD1# ) 3.1 1.3 0.6 volume=1.264 peak=1439 ppm1=1.829 ppm2=0.808 assign ( resid 78 and name HN ) ( resid 77 and name HN ) 3.1 1.3 0.6 volume=1.256 peak=606 ppm1=7.444 ppm2=7.297 assign ( resid 105 and name HD2 or resid 105 and name HD1 ) ( resid 105 and name HG2 ) 2.6 0.8 0.5 volume=3.834 peak=1309 ppm1=3.051 ppm2=1.568 assign ( resid 69 and name HB1 ) ( resid 75 and name HD2# ) 4.1 2.3 0.8 volume=0.221 peak=2038 ppm1=2.524 ppm2=0.850 assign ( resid 86 and name HB# ) ( resid 86 and name HA ) 2.8 1.0 0.6 volume=2.279 peak=1190 ppm1=1.068 ppm2=4.099 assign ( resid 77 and name HD2# ) ( resid 78 and name HN ) 3.9 2.1 0.8 volume=0.301 peak=914 ppm1=0.736 ppm2=7.450 assign ( resid 78 and name HD2 ) ( resid 78 and name HB2 ) 3.4 1.6 0.7 volume=0.700 peak=9 ppm1=6.723 ppm2=3.201 assign ( resid 91 and name HN ) ( resid 90 and name HA ) 2.6 0.8 0.5 volume=3.326 peak=252 ppm1=9.400 ppm2=4.434 assign ( resid 101 and name HA1 ) ( resid 104 and name HD1 or resid 104 and name HD2 ) 4.2 2.4 0.8 volume=0.202 peak=1509 ppm1=3.568 ppm2=1.494 assign ( resid 95 and name HB1 ) ( resid 96 and name HN ) 3.7 1.9 0.7 volume=0.447 peak=1654 ppm1=1.274 ppm2=7.582 assign ( resid 76 and name HN ) ( resid 75 and name HN ) 3.0 1.2 0.6 volume=1.367 peak=666 ppm1=8.457 ppm2=7.054 assign ( resid 79 and name HB2 or resid 79 and name HB1 ) ( resid 80 and name HN ) 3.5 1.7 0.7 volume=0.584 peak=961 ppm1=1.814 ppm2=7.094 assign ( resid 91 and name HA ) ( resid 91 and name HN ) 3.6 1.8 0.7 volume=0.509 peak=1333 ppm1=3.990 ppm2=9.403 assign ( resid 83 and name HN ) ( resid 80 and name HA ) 3.4 1.6 0.7 volume=0.659 peak=864 ppm1=7.741 ppm2=3.946 assign ( resid 62 and name HB1 ) ( resid 62 and name HB2 ) 3.2 1.4 0.6 volume=0.972 peak=1378 ppm1=3.220 ppm2=2.667 assign ( resid 89 and name HB1 ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 2.8 1.0 0.6 volume=2.039 peak=1558 ppm1=1.598 ppm2=1.099 assign ( resid 103 and name HA ) ( resid 103 and name HB1 ) 3.4 1.6 0.7 volume=0.715 peak=2013 ppm1=3.030 ppm2=1.134 assign ( resid 106 and name HA ) ( resid 109 and name HG2# ) 3.6 1.8 0.7 volume=0.459 peak=1458 ppm1=4.045 ppm2=0.485 assign ( resid 103 and name HA ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=1.056 peak=2056 ppm1=3.029 ppm2=0.878 assign ( resid 95 and name HN ) ( resid 94 and name HA1 ) 3.3 1.5 0.7 volume=0.856 peak=209 ppm1=7.734 ppm2=3.575 assign ( resid 59 and name HD2 ) ( resid 60 and name HN ) 4.3 2.5 0.9 volume=0.169 peak=2186 ppm1=3.429 ppm2=7.703 assign ( resid 60 and name HN ) ( resid 68 and name HB2 ) 3.3 1.5 0.7 volume=0.903 peak=482 ppm1=7.709 ppm2=3.361 assign ( resid 100 and name HB2 ) ( resid 88 and name HE1 or resid 88 and name HE2 ) 3.9 2.1 0.8 volume=0.288 peak=1078 ppm1=3.530 ppm2=6.665 assign ( resid 87 and name HA ) ( resid 87 and name HN ) 3.7 1.9 0.7 volume=0.394 peak=2379 ppm1=4.187 ppm2=7.710 assign ( resid 110 and name HE1 ) ( resid 110 and name HD2 ) 3.6 1.8 0.7 volume=0.532 peak=6 ppm1=7.857 ppm2=6.629 assign ( resid 88 and name HD1 or resid 88 and name HD2 ) ( resid 100 and name HB2 ) 3.8 2.0 0.8 volume=0.374 peak=104 ppm1=6.813 ppm2=3.515 assign ( resid 95 and name HA ) ( resid 95 and name HG1 ) 3.0 1.2 0.6 volume=1.543 peak=889 ppm1=3.840 ppm2=1.034 assign ( resid 103 and name HD2# ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 3.7 1.9 0.7 volume=0.413 peak=1887 ppm1=0.877 ppm2=7.106 assign ( resid 87 and name HG1 ) ( resid 87 and name HG2 ) 2.3 0.5 0.5 volume=6.892 peak=2348 ppm1=1.130 ppm2=1.197 assign ( resid 86 and name HN ) ( resid 80 and name HA ) 3.7 1.9 0.7 volume=0.437 peak=214 ppm1=8.200 ppm2=3.908 assign ( resid 68 and name HB1 ) ( resid 68 and name HB2 ) 2.9 1.1 0.6 volume=1.790 peak=1195 ppm1=3.493 ppm2=3.350 assign ( resid 89 and name HN ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 3.0 1.2 0.6 volume=1.362 peak=784 ppm1=8.391 ppm2=1.103 assign ( resid 61 and name HN ) ( resid 60 and name HA ) 2.7 0.9 0.5 volume=2.920 peak=446 ppm1=8.397 ppm2=4.597 assign ( resid 85 and name HB2 ) ( resid 85 and name HN ) 3.7 1.9 0.7 volume=0.452 peak=1826 ppm1=1.790 ppm2=7.941 assign ( resid 69 and name HB1 ) ( resid 75 and name HB2 ) 4.1 2.3 0.8 volume=0.225 peak=2287 ppm1=2.522 ppm2=1.263 assign ( resid 97 and name HB2 ) ( resid 98 and name HG2# ) 3.8 2.0 0.8 volume=0.343 peak=1927 ppm1=3.113 ppm2=1.132 assign ( resid 59 and name HA ) ( resid 59 and name HG1 ) 3.2 1.4 0.6 volume=1.013 peak=967 ppm1=4.062 ppm2=1.812 assign ( resid 106 and name HD2 ) ( resid 90 and name HB1 ) 3.2 1.4 0.6 volume=1.026 peak=69 ppm1=6.690 ppm2=3.262 assign ( resid 86 and name HB# ) ( resid 85 and name HG2 or resid 85 and name HG1 ) 3.9 2.1 0.8 volume=0.294 peak=2206 ppm1=1.075 ppm2=2.096 assign ( resid 103 and name HN ) ( resid 103 and name HA ) 2.9 1.1 0.6 volume=1.647 peak=757 ppm1=7.217 ppm2=3.029 assign ( resid 97 and name HZ ) ( resid 106 and name HB1 ) 4.7 2.9 0.9 volume=0.104 peak=43 ppm1=5.911 ppm2=2.585 assign ( resid 109 and name HA ) ( resid 108 and name HB1 ) 3.8 2.0 0.8 volume=0.358 peak=1356 ppm1=3.778 ppm2=1.589 assign ( resid 72 and name HB ) ( resid 72 and name HN ) 3.6 1.8 0.7 volume=0.503 peak=2250 ppm1=0.881 ppm2=8.426 assign ( resid 96 and name HD1# ) ( resid 89 and name HN ) 3.9 2.1 0.8 volume=0.298 peak=1651 ppm1=0.564 ppm2=8.397 assign ( resid 71 and name HN ) ( resid 72 and name HN ) 3.9 2.1 0.8 volume=0.327 peak=691 ppm1=6.748 ppm2=8.434 assign ( resid 91 and name HN ) ( resid 91 and name HG1 ) 3.2 1.4 0.6 volume=1.090 peak=753 ppm1=9.401 ppm2=2.268 assign ( resid 70 and name HG2 ) ( resid 70 and name HB1 or resid 70 and name HB2 ) 2.5 0.7 0.5 volume=4.583 peak=1295 ppm1=1.668 ppm2=1.814 assign ( resid 91 and name HN ) ( resid 92 and name HN ) 3.0 1.2 0.6 volume=1.592 peak=171 ppm1=9.402 ppm2=8.358 assign ( resid 97 and name HN ) ( resid 96 and name HN ) 4.0 2.2 0.8 volume=0.282 peak=793 ppm1=8.694 ppm2=7.574 assign ( resid 77 and name HN ) ( resid 77 and name HB1 ) 2.7 0.9 0.5 volume=2.517 peak=817 ppm1=7.295 ppm2=1.461 assign ( resid 75 and name HD2# ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.3 1.5 0.7 volume=0.776 peak=1583 ppm1=0.848 ppm2=6.831 assign ( resid 103 and name HB2 ) ( resid 103 and name HN ) 3.5 1.7 0.7 volume=0.604 peak=2135 ppm1=1.820 ppm2=7.223 assign ( resid 75 and name HB2 ) ( resid 72 and name HA ) 4.3 2.5 0.9 volume=0.173 peak=948 ppm1=1.256 ppm2=3.141 assign ( resid 77 and name HN ) ( resid 77 and name HA ) 2.7 0.9 0.5 volume=2.560 peak=118 ppm1=7.291 ppm2=3.907 assign ( resid 103 and name HN ) ( resid 103 and name HD2# ) 3.2 1.4 0.6 volume=1.016 peak=637 ppm1=7.219 ppm2=0.898 assign ( resid 102 and name HB2 ) ( resid 97 and name HD1 or resid 97 and name HD2 ) 3.4 1.6 0.7 volume=0.648 peak=1667 ppm1=2.717 ppm2=7.107 assign ( resid 96 and name HG ) ( resid 86 and name HB# ) 3.4 1.6 0.7 volume=0.736 peak=1348 ppm1=1.426 ppm2=1.069 assign ( resid 72 and name HG11 ) ( resid 60 and name HE1 or resid 60 and name HE2 ) 4.3 2.5 0.9 volume=0.180 peak=1656 ppm1=0.707 ppm2=6.763 assign ( resid 71 and name HD2# ) ( resid 71 and name HG ) 2.6 0.8 0.5 volume=3.653 peak=1697 ppm1=0.807 ppm2=1.490 assign ( resid 95 and name HN ) ( resid 95 and name HG2 ) 2.7 0.9 0.5 volume=2.658 peak=599 ppm1=7.736 ppm2=1.429 assign ( resid 71 and name HN ) ( resid 69 and name HB2 ) 3.4 1.6 0.7 volume=0.654 peak=761 ppm1=6.744 ppm2=3.059 assign ( resid 79 and name HN ) ( resid 77 and name HA ) 3.3 1.5 0.7 volume=0.786 peak=732 ppm1=8.417 ppm2=3.922 assign ( resid 90 and name HA ) ( resid 103 and name HD1# ) 4.3 2.5 0.9 volume=0.176 peak=1389 ppm1=4.430 ppm2=0.824 assign ( resid 65 and name HN ) ( resid 64 and name HB2 ) 3.0 1.2 0.6 volume=1.443 peak=308 ppm1=7.857 ppm2=1.409 assign ( resid 103 and name HD1# ) ( resid 104 and name HN ) 3.7 1.9 0.7 volume=0.415 peak=2102 ppm1=0.810 ppm2=8.127 assign ( resid 78 and name HB2 ) ( resid 79 and name HN ) 4.1 2.3 0.8 volume=0.221 peak=950 ppm1=3.197 ppm2=8.421 assign ( resid 103 and name HN ) ( resid 97 and name HB2 ) 3.1 1.3 0.6 volume=1.126 peak=283 ppm1=7.215 ppm2=3.130 assign ( resid 87 and name HN ) ( resid 87 and name HB2 or resid 87 and name HB1 ) 2.7 0.9 0.5 volume=2.883 peak=2365 ppm1=7.712 ppm2=1.380 assign ( resid 78 and name HB2 ) ( resid 78 and name HD2 ) 4.4 2.6 0.9 volume=0.146 peak=1255 ppm1=3.205 ppm2=6.735 assign ( resid 64 and name HB2 ) ( resid 65 and name HN ) 3.3 1.5 0.7 volume=0.810 peak=867 ppm1=1.390 ppm2=7.876 assign ( resid 71 and name HB2 ) ( resid 71 and name HD2# ) 3.4 1.6 0.7 volume=0.735 peak=1948 ppm1=1.650 ppm2=0.809 assign ( resid 91 and name HN ) ( resid 90 and name HN ) 4.0 2.2 0.8 volume=0.250 peak=247 ppm1=9.393 ppm2=9.119 assign ( resid 77 and name HA ) ( resid 78 and name HN ) 3.7 1.9 0.7 volume=0.405 peak=1457 ppm1=3.903 ppm2=7.458 assign ( resid 72 and name HG12 ) ( resid 72 and name HD1# ) 2.6 0.8 0.5 volume=3.144 peak=1973 ppm1=0.781 ppm2=0.557 assign ( resid 69 and name HB2 ) ( resid 75 and name HB2 ) 4.1 2.3 0.8 volume=0.217 peak=884 ppm1=3.059 ppm2=1.263 assign ( resid 97 and name HZ ) ( resid 95 and name HD2 ) 3.9 2.1 0.8 volume=0.298 peak=85 ppm1=5.913 ppm2=1.403 assign ( resid 106 and name HA ) ( resid 106 and name HB1 ) 3.0 1.2 0.6 volume=1.626 peak=1858 ppm1=4.051 ppm2=2.586 assign ( resid 89 and name HB2 ) ( resid 89 and name HN ) 3.8 2.0 0.8 volume=0.337 peak=1988 ppm1=1.293 ppm2=8.395 assign ( resid 75 and name HD2# ) ( resid 75 and name HN ) 3.7 1.9 0.7 volume=0.409 peak=1855 ppm1=0.849 ppm2=7.046 assign ( resid 108 and name HD2# ) ( resid 105 and name HA ) 3.2 1.4 0.6 volume=0.969 peak=1997 ppm1=0.793 ppm2=3.836 assign ( resid 78 and name HN ) ( resid 77 and name HB2 ) 3.2 1.4 0.6 volume=0.958 peak=557 ppm1=7.443 ppm2=1.558 assign ( resid 104 and name HN ) ( resid 104 and name HB1 or resid 104 and name HB2 ) 2.4 0.6 0.5 volume=5.230 peak=596 ppm1=8.129 ppm2=1.671 assign ( resid 91 and name HN ) ( resid 91 and name HA ) 3.2 1.4 0.6 volume=1.065 peak=782 ppm1=9.404 ppm2=4.000 assign ( resid 67 and name HA ) ( resid 67 and name HN ) 3.2 1.4 0.6 volume=1.081 peak=1297 ppm1=3.952 ppm2=7.832 assign ( resid 102 and name HN ) ( resid 101 and name HA1 or resid 101 and name HA2 ) 3.4 1.6 0.7 volume=0.747 peak=610 ppm1=7.852 ppm2=3.653 assign ( resid 88 and name HE1 or resid 88 and name HE2 ) ( resid 100 and name HB2 ) 3.3 1.5 0.7 volume=0.766 peak=78 ppm1=6.665 ppm2=3.519 assign ( resid 61 and name HN ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.8 2.0 0.8 volume=0.378 peak=202 ppm1=8.401 ppm2=6.823 assign ( resid 66 and name HA2 ) ( resid 66 and name HA1 ) 3.0 1.2 0.6 volume=1.420 peak=1687 ppm1=3.676 ppm2=4.094 assign ( resid 59 and name HB2 ) ( resid 59 and name HA ) 3.8 2.0 0.8 volume=0.373 peak=1365 ppm1=0.976 ppm2=4.066 assign ( resid 77 and name HD2# ) ( resid 80 and name HN ) 4.3 2.5 0.9 volume=0.174 peak=1545 ppm1=0.738 ppm2=7.092 assign ( resid 94 and name HN ) ( resid 90 and name HB2 ) 3.2 1.4 0.6 volume=0.925 peak=552 ppm1=8.295 ppm2=2.736 assign ( resid 94 and name HA2 ) ( resid 89 and name HB2 ) 3.9 2.1 0.8 volume=0.328 peak=1840 ppm1=4.087 ppm2=1.293 assign ( resid 75 and name HN ) ( resid 69 and name HB1 ) 3.6 1.8 0.7 volume=0.526 peak=174 ppm1=7.049 ppm2=2.549 assign ( resid 111 and name HN ) ( resid 111 and name HA ) 3.1 1.3 0.6 volume=1.227 peak=368 ppm1=7.580 ppm2=4.323 assign ( resid 102 and name HA ) ( resid 103 and name HN ) 4.6 2.8 0.9 volume=0.111 peak=1818 ppm1=4.335 ppm2=7.189 assign ( resid 67 and name HN ) ( resid 62 and name HA ) 4.2 2.4 0.8 volume=0.210 peak=491 ppm1=7.841 ppm2=4.315 assign ( resid 88 and name HN ) ( resid 88 and name HB1 ) 2.9 1.1 0.6 volume=1.895 peak=2373 ppm1=8.307 ppm2=2.646 assign ( resid 85 and name HG1 ) ( resid 85 and name HN ) 4.0 2.2 0.8 volume=0.244 peak=1978 ppm1=2.132 ppm2=7.947 assign ( resid 63 and name HA ) ( resid 63 and name HN ) 4.4 2.6 0.9 volume=0.141 peak=1863 ppm1=4.016 ppm2=9.626 assign ( resid 108 and name HN ) ( resid 109 and name HN ) 2.9 1.1 0.6 volume=1.661 peak=751 ppm1=6.919 ppm2=7.809 assign ( resid 72 and name HD1# ) ( resid 72 and name HA ) 3.3 1.5 0.7 volume=0.786 peak=1410 ppm1=0.551 ppm2=3.154 assign ( resid 65 and name HN ) ( resid 62 and name HA ) 3.8 2.0 0.8 volume=0.378 peak=170 ppm1=7.854 ppm2=4.354 assign ( resid 95 and name HG2 ) ( resid 95 and name HG1 ) 2.6 0.8 0.5 volume=3.672 peak=1649 ppm1=1.423 ppm2=1.037 assign ( resid 79 and name HB2 or resid 79 and name HB1 ) ( resid 79 and name HA ) 3.3 1.5 0.7 volume=0.891 peak=1605 ppm1=1.806 ppm2=3.464 assign ( resid 89 and name HA ) ( resid 96 and name HB2 ) 4.1 2.3 0.8 volume=0.221 peak=1747 ppm1=4.862 ppm2=1.066 assign ( resid 102 and name HN ) ( resid 99 and name HN ) 3.7 1.9 0.7 volume=0.403 peak=667 ppm1=7.853 ppm2=7.053 assign ( resid 69 and name HB1 ) ( resid 69 and name HB2 ) 3.8 2.0 0.8 volume=0.337 peak=1022 ppm1=2.512 ppm2=3.055 assign ( resid 69 and name HN ) ( resid 68 and name HB2 ) 3.1 1.3 0.6 volume=1.231 peak=468 ppm1=8.412 ppm2=3.336 assign ( resid 59 and name HB2 ) ( resid 60 and name HN ) 4.4 2.6 0.9 volume=0.155 peak=2152 ppm1=0.979 ppm2=7.720 assign ( resid 97 and name HE1 or resid 97 and name HE2 ) ( resid 95 and name HD1 ) 3.2 1.4 0.6 volume=1.060 peak=2 ppm1=6.687 ppm2=1.347 assign ( resid 71 and name HA ) ( resid 71 and name HD1# ) 3.7 1.9 0.7 volume=0.421 peak=1869 ppm1=4.875 ppm2=0.918 assign ( resid 96 and name HB1 ) ( resid 86 and name HB# ) 3.7 1.9 0.7 volume=0.438 peak=2222 ppm1=1.316 ppm2=1.069 assign ( resid 68 and name HA ) ( resid 68 and name HB2 ) 3.6 1.8 0.7 volume=0.462 peak=1912 ppm1=5.128 ppm2=3.354 assign ( resid 95 and name HA ) ( resid 96 and name HD2# ) 3.5 1.7 0.7 volume=0.636 peak=1552 ppm1=3.847 ppm2=0.687 assign ( resid 109 and name HG2# ) ( resid 111 and name HN ) 4.6 2.8 0.9 volume=0.107 peak=1628 ppm1=0.487 ppm2=7.581 assign ( resid 87 and name HG2 ) ( resid 87 and name HD2 ) 3.3 1.5 0.7 volume=0.837 peak=2330 ppm1=1.201 ppm2=2.847 assign ( resid 109 and name HG2# ) ( resid 110 and name HB2 ) 4.3 2.5 0.9 volume=0.174 peak=1440 ppm1=0.487 ppm2=3.021 assign ( resid 62 and name HN ) ( resid 68 and name HA ) 3.6 1.8 0.7 volume=0.513 peak=608 ppm1=8.875 ppm2=5.113 assign ( resid 100 and name HN ) ( resid 100 and name HB1 ) 3.0 1.2 0.6 volume=1.396 peak=212 ppm1=8.334 ppm2=3.367 assign ( resid 91 and name HB1 ) ( resid 91 and name HG1 ) 2.6 0.8 0.5 volume=3.510 peak=1702 ppm1=1.891 ppm2=2.258 assign ( resid 85 and name HG2 ) ( resid 85 and name HB1 ) 2.4 0.6 0.5 volume=5.166 peak=1510 ppm1=2.079 ppm2=1.857 assign ( resid 95 and name HD2 ) ( resid 95 and name HG1 ) 2.8 1.0 0.6 volume=2.406 peak=1461 ppm1=1.396 ppm2=1.029 assign ( resid 80 and name HE2 or resid 80 and name HE1 ) ( resid 80 and name HG1 ) 2.4 0.6 0.5 volume=6.116 peak=934 ppm1=2.822 ppm2=1.354 assign ( resid 91 and name HN ) ( resid 91 and name HB1 ) 3.0 1.2 0.6 volume=1.575 peak=638 ppm1=9.398 ppm2=1.894 assign ( resid 107 and name HE22 ) ( resid 103 and name HD2# ) 3.5 1.7 0.7 volume=0.568 peak=433 ppm1=6.924 ppm2=0.851 assign ( resid 109 and name HN ) ( resid 110 and name HN ) 2.8 1.0 0.6 volume=2.390 peak=158 ppm1=7.805 ppm2=7.108 assign ( resid 72 and name HA ) ( resid 60 and name HB2 ) 4.1 2.3 0.8 volume=0.229 peak=1533 ppm1=3.157 ppm2=2.600 assign ( resid 109 and name HG1# ) ( resid 108 and name HN ) 4.1 2.3 0.8 volume=0.241 peak=1559 ppm1=0.307 ppm2=6.927 assign ( resid 62 and name HB1 ) ( resid 67 and name HN ) 3.6 1.8 0.7 volume=0.506 peak=1277 ppm1=3.231 ppm2=7.828 assign ( resid 77 and name HB2 ) ( resid 77 and name HD1# ) 2.8 1.0 0.6 volume=2.249 peak=1041 ppm1=1.552 ppm2=0.743 assign ( resid 72 and name HG2# ) ( resid 60 and name HD1 or resid 60 and name HD2 ) 3.9 2.1 0.8 volume=0.306 peak=1418 ppm1=0.583 ppm2=6.828 assign ( resid 64 and name HN ) ( resid 64 and name HB2 ) 2.8 1.0 0.6 volume=2.438 peak=484 ppm1=8.555 ppm2=1.406 assign ( resid 87 and name HA ) ( resid 87 and name HG1 ) 3.3 1.5 0.7 volume=0.893 peak=2369 ppm1=4.187 ppm2=1.128 assign ( resid 94 and name HN ) ( resid 95 and name HN ) 2.4 0.6 0.5 volume=5.826 peak=727 ppm1=8.296 ppm2=7.736 assign ( resid 103 and name HD1# ) ( resid 97 and name HB2 ) 3.4 1.6 0.7 volume=0.755 peak=968 ppm1=0.808 ppm2=3.117 assign ( resid 78 and name HB2 ) ( resid 78 and name HN ) 3.7 1.9 0.7 volume=0.430 peak=1128 ppm1=3.192 ppm2=7.451 assign ( resid 72 and name HG2# ) ( resid 72 and name HG11 ) 2.4 0.6 0.5 volume=5.343 peak=1153 ppm1=0.583 ppm2=0.709 assign ( resid 68 and name HA ) ( resid 69 and name HN ) 3.5 1.7 0.7 volume=0.542 peak=1318 ppm1=5.123 ppm2=8.413 assign ( resid 71 and name HN ) ( resid 74 and name HD2# ) 3.4 1.6 0.7 volume=0.741 peak=812 ppm1=6.743 ppm2=0.786 assign ( resid 88 and name HB1 ) ( resid 88 and name HE1 or resid 88 and name HE2 ) 3.9 2.1 0.8 volume=0.301 peak=2299 ppm1=2.632 ppm2=6.673 assign ( resid 67 and name HN ) ( resid 66 and name HA2 ) 3.3 1.5 0.7 volume=0.894 peak=485 ppm1=7.829 ppm2=3.680 assign ( resid 97 and name HB2 ) ( resid 97 and name HN ) 4.2 2.4 0.8 volume=0.205 peak=1994 ppm1=3.117 ppm2=8.695 assign ( resid 87 and name HG2 ) ( resid 87 and name HA ) 4.0 2.2 0.8 volume=0.244 peak=2349 ppm1=1.207 ppm2=4.166 assign ( resid 72 and name HA ) ( resid 72 and name HG12 ) 3.3 1.5 0.7 volume=0.871 peak=1029 ppm1=3.159 ppm2=0.785 assign ( resid 72 and name HB ) ( resid 72 and name HG2# ) 2.8 1.0 0.6 volume=2.013 peak=1763 ppm1=0.880 ppm2=0.556 assign ( resid 74 and name HD1# ) ( resid 71 and name HD1# ) 2.6 0.8 0.5 volume=3.621 peak=1956 ppm1=1.037 ppm2=0.931 assign ( resid 107 and name HE21 ) ( resid 107 and name HG1 ) 3.0 1.2 0.6 volume=1.502 peak=414 ppm1=7.496 ppm2=2.639 assign ( resid 80 and name HN ) ( resid 79 and name HN ) 3.3 1.5 0.7 volume=0.896 peak=363 ppm1=7.089 ppm2=8.415 assign ( resid 80 and name HB2 or resid 80 and name HB1 ) ( resid 80 and name HA ) 3.0 1.2 0.6 volume=1.559 peak=2207 ppm1=1.717 ppm2=3.934 assign ( resid 90 and name HB1 ) ( resid 103 and name HD1# ) 3.3 1.5 0.7 volume=0.773 peak=2059 ppm1=3.260 ppm2=0.823 assign ( resid 71 and name HB2 ) ( resid 71 and name HN ) 4.6 2.8 0.9 volume=0.115 peak=2098 ppm1=1.645 ppm2=6.736 assign ( resid 90 and name HB2 ) ( resid 90 and name HB1 ) 2.8 1.0 0.6 volume=2.113 peak=1048 ppm1=2.728 ppm2=3.256 assign ( resid 110 and name HD2 ) ( resid 110 and name HB2 ) 2.9 1.1 0.6 volume=1.976 peak=17 ppm1=6.616 ppm2=3.018 assign ( resid 112 and name HN ) ( resid 111 and name HA ) 2.7 0.9 0.5 volume=2.494 peak=149 ppm1=7.868 ppm2=4.325 assign ( resid 103 and name HN ) ( resid 102 and name HN ) 3.0 1.2 0.6 volume=1.388 peak=693 ppm1=7.218 ppm2=7.855 assign ( resid 105 and name HD2 or resid 105 and name HD1 ) ( resid 105 and name HG1 ) 2.6 0.8 0.5 volume=3.899 peak=1252 ppm1=3.043 ppm2=1.445 assign ( resid 60 and name HN ) ( resid 75 and name HD2# or resid 75 and name HD1# ) 3.5 1.7 0.7 volume=0.565 peak=774 ppm1=7.707 ppm2=0.873 assign ( resid 63 and name HB1 ) ( resid 63 and name HA ) 2.9 1.1 0.6 volume=1.800 peak=1805 ppm1=2.000 ppm2=4.011 assign ( resid 60 and name HN ) ( resid 60 and name HB2 ) 3.2 1.4 0.6 volume=1.060 peak=826 ppm1=7.711 ppm2=2.624 assign ( resid 90 and name HN ) ( resid 103 and name HD1# ) 3.4 1.6 0.7 volume=0.759 peak=379 ppm1=9.126 ppm2=0.814 assign ( resid 99 and name HB ) ( resid 100 and name HN ) 4.1 2.3 0.8 volume=0.238 peak=1969 ppm1=4.295 ppm2=8.332 assign ( resid 74 and name HB2 ) ( resid 75 and name HN ) 4.3 2.5 0.9 volume=0.179 peak=1620 ppm1=1.748 ppm2=7.051 assign ( resid 109 and name HG1# ) ( resid 110 and name HN ) 3.4 1.6 0.7 volume=0.664 peak=1584 ppm1=0.308 ppm2=7.122 assign ( resid 74 and name HD1# ) ( resid 75 and name HN ) 4.2 2.4 0.8 volume=0.205 peak=1271 ppm1=1.041 ppm2=7.054 assign ( resid 72 and name HN ) ( resid 71 and name HG ) 3.9 2.1 0.8 volume=0.296 peak=683 ppm1=8.432 ppm2=1.476 assign ( resid 106 and name HN ) ( resid 103 and name HA ) 3.0 1.2 0.6 volume=1.354 peak=716 ppm1=7.304 ppm2=3.024 assign ( resid 77 and name HB2 ) ( resid 77 and name HD1# ) 2.8 1.0 0.6 volume=2.129 peak=1330 ppm1=1.554 ppm2=0.709 assign ( resid 77 and name HD1# ) ( resid 80 and name HD2 or resid 80 and name HD1 ) 2.3 0.5 0.5 volume=7.035 peak=1196 ppm1=0.713 ppm2=1.525 assign ( resid 107 and name HA ) ( resid 109 and name HG1# ) 4.3 2.5 0.9 volume=0.176 peak=1359 ppm1=3.454 ppm2=0.316 assign ( resid 77 and name HD1# ) ( resid 77 and name HG ) 2.3 0.5 0.5 volume=7.109 peak=1402 ppm1=0.714 ppm2=1.552 assign ( resid 103 and name HN ) ( resid 100 and name HA ) 3.1 1.3 0.6 volume=1.239 peak=284 ppm1=7.218 ppm2=3.196 assign ( resid 95 and name HB2 ) ( resid 95 and name HA ) 3.4 1.6 0.7 volume=0.676 peak=1833 ppm1=1.182 ppm2=3.841 assign ( resid 79 and name HN ) ( resid 76 and name HA ) 3.6 1.8 0.7 volume=0.494 peak=332 ppm1=8.414 ppm2=4.199 assign ( resid 97 and name HZ ) ( resid 95 and name HD1 ) 3.3 1.5 0.7 volume=0.820 peak=33 ppm1=5.914 ppm2=1.342 assign ( resid 79 and name HB2 or resid 79 and name HB1 ) ( resid 78 and name HD2 ) 3.7 1.9 0.7 volume=0.408 peak=2112 ppm1=1.810 ppm2=6.725 assign ( resid 97 and name HZ ) ( resid 97 and name HE1 or resid 97 and name HE2 ) 2.7 0.9 0.5 volume=2.796 peak=57 ppm1=5.908 ppm2=6.680 assign ( resid 60 and name HE1 or resid 60 and name HE2 ) ( resid 72 and name HA ) 3.7 1.9 0.7 volume=0.451 peak=87 ppm1=6.759 ppm2=3.158 assign ( resid 64 and name HA ) ( resid 64 and name HB1 ) 3.5 1.7 0.7 volume=0.574 peak=1989 ppm1=4.121 ppm2=1.350 assign ( resid 109 and name HN ) ( resid 109 and name HG1# ) 2.7 0.9 0.5 volume=2.905 peak=510 ppm1=7.805 ppm2=0.322 assign ( resid 80 and name HA ) ( resid 81 and name HN ) 3.1 1.3 0.6 volume=1.171 peak=1329 ppm1=3.929 ppm2=7.648 assign ( resid 96 and name HD1# ) ( resid 94 and name HA1 ) 4.6 2.8 0.9 volume=0.121 peak=1178 ppm1=0.558 ppm2=3.578 assign ( resid 79 and name HA ) ( resid 82 and name HD2 ) 3.2 1.4 0.6 volume=1.058 peak=911 ppm1=3.468 ppm2=6.611 assign ( resid 103 and name HD2# ) ( resid 89 and name HN ) 3.8 2.0 0.8 volume=0.368 peak=904 ppm1=0.878 ppm2=8.396 assign ( resid 86 and name HB# ) ( resid 87 and name HN ) 3.2 1.4 0.6 volume=0.955 peak=2362 ppm1=1.067 ppm2=7.713 assign ( resid 102 and name HB1 ) ( resid 97 and name HB2 ) 3.6 1.8 0.7 volume=0.533 peak=871 ppm1=2.821 ppm2=3.107 assign ( resid 86 and name HB# ) ( resid 96 and name HD1# ) 3.5 1.7 0.7 volume=0.618 peak=1820 ppm1=1.068 ppm2=0.563 assign ( resid 97 and name HN ) ( resid 96 and name HA ) 2.7 0.9 0.5 volume=3.043 peak=244 ppm1=8.697 ppm2=4.757 assign ( resid 72 and name HG12 ) ( resid 72 and name HG2# ) 2.6 0.8 0.5 volume=3.144 peak=2002 ppm1=0.781 ppm2=0.579 assign ( resid 107 and name HG2 ) ( resid 107 and name HB1 ) 3.4 1.6 0.7 volume=0.736 peak=2148 ppm1=2.697 ppm2=2.057 assign ( resid 74 and name HA ) ( resid 74 and name HD2# ) 2.6 0.8 0.5 volume=3.511 peak=1567 ppm1=3.925 ppm2=0.763 assign ( resid 80 and name HE2 or resid 80 and name HE1 ) ( resid 77 and name HD2# ) 3.2 1.4 0.6 volume=1.052 peak=1202 ppm1=2.817 ppm2=0.751 assign ( resid 108 and name HD2# ) ( resid 112 and name HA1 or resid 112 and name HA2 ) 4.0 2.2 0.8 volume=0.272 peak=1865 ppm1=0.799 ppm2=3.673 assign ( resid 106 and name HN ) ( resid 105 and name HN ) 2.7 0.9 0.5 volume=2.717 peak=639 ppm1=7.302 ppm2=7.549 assign ( resid 82 and name HB1 ) ( resid 82 and name HD2 ) 3.3 1.5 0.7 volume=0.802 peak=1104 ppm1=3.012 ppm2=6.607 assign ( resid 87 and name HN ) ( resid 98 and name HG2# ) 2.7 0.9 0.5 volume=2.560 peak=2323 ppm1=7.705 ppm2=1.146 assign ( resid 86 and name HN ) ( resid 86 and name HA ) 2.6 0.8 0.5 volume=3.430 peak=208 ppm1=8.202 ppm2=4.114 assign ( resid 88 and name HN ) ( resid 103 and name HD2# ) 3.8 2.0 0.8 volume=0.345 peak=2387 ppm1=8.309 ppm2=0.885 assign ( resid 107 and name HN ) ( resid 110 and name HN ) 3.9 2.1 0.8 volume=0.318 peak=437 ppm1=8.025 ppm2=7.112 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 75 and name HA ) 3.7 1.9 0.7 volume=0.444 peak=7 ppm1=6.138 ppm2=3.474 assign ( resid 87 and name HN ) ( resid 86 and name HB# ) 2.8 1.0 0.6 volume=2.228 peak=2303 ppm1=7.706 ppm2=1.091 assign ( resid 90 and name HN ) ( resid 90 and name HB1 ) 2.9 1.1 0.6 volume=1.733 peak=504 ppm1=9.126 ppm2=3.256 assign ( resid 108 and name HB2 ) ( resid 108 and name HD1# ) 2.7 0.9 0.5 volume=2.780 peak=2039 ppm1=1.353 ppm2=0.723 assign ( resid 59 and name HD1 ) ( resid 59 and name HG1 ) 3.5 1.7 0.7 volume=0.603 peak=958 ppm1=3.394 ppm2=1.806 assign ( resid 99 and name HN ) ( resid 99 and name HB ) 3.2 1.4 0.6 volume=1.046 peak=119 ppm1=7.056 ppm2=4.292 assign ( resid 79 and name HE1 ) ( resid 79 and name HN ) 4.4 2.6 0.9 volume=0.140 peak=1017 ppm1=3.078 ppm2=8.396 assign ( resid 85 and name HB2 ) ( resid 80 and name HE2 or resid 80 and name HE1 ) 4.0 2.2 0.8 volume=0.250 peak=1422 ppm1=1.797 ppm2=2.820 assign ( resid 63 and name HG2 or resid 63 and name HG1 ) ( resid 63 and name HN ) 4.5 2.7 0.9 volume=0.121 peak=1920 ppm1=2.267 ppm2=9.656 assign ( resid 75 and name HD1# ) ( resid 60 and name HB2 ) 3.4 1.6 0.7 volume=0.733 peak=1615 ppm1=0.888 ppm2=2.630 assign ( resid 110 and name HN ) ( resid 109 and name HN ) 2.8 1.0 0.6 volume=2.388 peak=802 ppm1=7.117 ppm2=7.801 assign ( resid 107 and name HN ) ( resid 107 and name HG2 ) 2.7 0.9 0.5 volume=2.970 peak=586 ppm1=8.028 ppm2=2.717 assign ( resid 107 and name HB1 ) ( resid 104 and name HA ) 3.6 1.8 0.7 volume=0.463 peak=1576 ppm1=2.049 ppm2=3.906 assign ( resid 94 and name HA1 ) ( resid 89 and name HG1 or resid 89 and name HG2 ) 3.5 1.7 0.7 volume=0.552 peak=1598 ppm1=3.576 ppm2=1.102 assign ( resid 69 and name HE1 or resid 69 and name HE2 ) ( resid 74 and name HD1# ) 3.4 1.6 0.7 volume=0.670 peak=3 ppm1=6.143 ppm2=1.060 assign ( resid 84 and name HA2 or resid 84 and name HA1 ) ( resid 80 and name HG1 ) 4.1 2.3 0.8 volume=0.236 peak=3 ppm1=3.858 ppm2=1.377 assign ( resid 86 and name HB# ) ( resid 79 and name HB1 or resid 79 and name HB2 ) 3.8 2.0 0.8 volume=0.377 peak=34 ppm1=1.069 ppm2=1.854
Contact the webmaster for help, if required. Sunday, June 2, 2024 7:59:42 AM GMT (wattos1)