NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.4235 8.1593 117.3444 63.2624 70.0979 173.8360 1G F 4.3041 9.2923 127.6277 58.1173 37.2006 175.6149 1F G 3.8985 9.5738 111.7983 45.4732 0.0000 174.6196 1E S 3.2580 9.4111 114.5039 60.3905 60.6135 174.0559 1D G 3.5630 7.5477 116.8886 45.3595 0.0000 170.5525 1C E 4.2286 8.3595 128.5875 56.3477 29.8584 176.1708 1B A 4.4822 8.6288 116.5712 53.7788 20.1202 177.8352 1A D 4.8721 7.8872 112.2547 53.7427 41.4645 175.8985 1 C 4.1352 8.1100 111.8543 59.2351 29.7061 173.8554 2 G 3.7911 8.7930 108.8890 45.9898 0.0000 173.3807 3 L 4.5582 7.2129 119.5182 52.5751 42.2410 176.3363 4 R 4.2521 8.6698 123.8909 55.0354 30.7487 176.6918 5 P 4.2433 0.0000 0.0000 65.2138 31.4598 177.1331 6 L 4.3047 7.7994 114.6733 54.3894 40.9957 176.2984 7 F 4.8656 7.6068 115.6794 57.6155 42.3342 176.8170 8 E 4.0537 8.3998 119.2927 59.8841 29.8146 179.8709 9 K 4.0437 8.1383 116.1816 58.5667 32.1778 177.5497 10 K 4.4291 7.4485 114.7932 54.8816 33.9059 175.3735 11 S 3.7948 7.9272 112.2974 59.6421 60.9620 170.6396 12 L 4.8473 9.1072 118.7387 52.7999 44.1359 176.0618 13 E 4.8277 8.5847 121.6114 54.8172 31.1159 175.7307 14 D 4.7661 8.3258 121.5512 52.1908 40.5828 177.7710 14A K 3.7861 8.5559 119.2205 58.7680 32.1752 177.9254 14B T 4.5326 7.4348 106.5301 60.7629 70.5879 176.0422 14C E 3.8985 8.8365 123.6534 59.5614 29.3088 179.3042 14D R 3.7830 7.9484 115.8036 59.4765 29.0309 177.4897 14E E 3.7940 8.6123 120.3162 59.1839 29.7899 178.3262 14F L 3.7561 7.8661 117.6991 58.0367 41.5466 179.1503 14G L 3.4298 7.7028 118.0014 58.0692 41.5640 179.7258 14H E 3.9056 8.1341 116.8895 58.5398 29.3469 178.6334 14I S 4.5353 7.4416 113.3338 59.7982 64.1054 174.4402 14J Y 4.5042 7.9382 120.0668 61.3056 37.7724 175.7133 14K I 3.1799 8.5630 108.8348 62.0703 36.8029 174.3056 14L D 5.5534 7.4933 116.1585 56.2750 40.0855 176.8813 14M G 3.8799 8.1343 111.3067 45.9315 0.0000 174.7817 15 R 4.1325 8.6519 118.7644 56.6963 29.3236 172.6868 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1H T 8.16 4.42 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 1G F 9.29 4.30 0.00 3.39 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F G 9.57 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E S 9.41 3.26 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D G 7.55 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.36 4.23 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 1B A 8.63 4.48 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.89 4.87 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 C 8.11 4.14 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.21 4.56 0.00 1.59 1.65 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.67 4.25 0.00 2.32 2.11 0.00 3.17 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 5 P 0.00 4.24 0.00 2.03 2.12 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 6 L 7.80 4.30 0.00 1.42 0.93 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.61 4.87 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.40 4.05 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 9 K 8.14 4.04 0.00 2.04 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 K 7.45 4.43 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.51 7.81 11 S 7.93 3.79 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.11 4.85 0.00 1.83 1.58 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.58 4.83 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 14 D 8.33 4.77 0.00 2.61 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.56 3.79 0.00 1.75 1.92 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14B T 7.43 4.53 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14C E 8.84 3.90 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.66 0.00 14D R 7.95 3.78 0.00 1.95 2.18 0.00 3.05 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 14E E 8.61 3.79 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 14F L 7.87 3.76 0.00 1.83 1.47 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.70 3.43 0.00 1.52 1.62 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.13 3.91 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 14I S 7.44 4.54 0.00 4.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.94 4.50 0.00 3.18 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 8.56 3.18 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 0.94 0.00 0.00 14L D 7.49 5.55 0.00 2.82 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14M G 8.13 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.65 4.13 0.00 1.84 1.73 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00