NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.4422 8.1401 118.3707 57.5271 39.9013 174.6488 2 A 4.6386 7.8773 119.0905 49.2580 22.0016 173.2864 3 S 4.6836 8.1367 114.2402 56.4519 64.8311 170.8323 4 P 4.6478 0.0000 0.0000 62.0394 31.3714 176.8304 5 K 3.8979 7.9641 117.6847 58.3060 33.2390 178.2430 6 C 3.6913 8.0323 119.3800 59.8730 39.2045 174.5544 7 F 4.9475 6.3456 116.5517 55.1306 36.2666 176.4796 8 R 4.1893 8.3882 122.2913 59.8370 30.1773 176.9188 9 Y 4.6045 7.3826 124.0180 57.4998 43.9227 172.5708 10 P 4.4472 0.0000 0.0000 62.2272 32.4684 174.9155 11 N 4.6565 7.7608 114.8174 54.1872 36.5153 175.3999 12 G 3.7236 7.8070 105.1846 46.3817 0.0000 175.7133 13 V 4.0143 7.2315 128.2952 60.6498 30.3717 175.5344 14 L 4.2611 7.9027 124.5506 53.7393 40.2540 177.2258 15 A 4.3862 7.9093 128.7289 51.4595 16.9574 176.9735 16 C 4.7974 8.0037 118.8796 57.6098 42.8917 174.8762 17 T 4.1892 7.5412 118.5445 63.9527 69.1243 173.6608 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 1 Y 8.14 4.44 0.00 2.94 3.08 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 A 7.88 4.64 1.27 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 S 8.14 4.68 0.00 3.83 3.75 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 4 P 0.00 4.65 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 5 K 7.96 3.90 0.00 1.69 1.88 0.00 1.53 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.33 7.81 6 C 8.03 3.69 0.00 2.48 3.10 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 7 F 6.35 4.95 0.00 3.18 3.27 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 R 8.39 4.19 0.00 1.99 2.32 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 9 Y 7.38 4.60 0.00 2.90 3.00 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 10 P 0.00 4.45 0.00 2.26 2.23 0.00 4.06 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 11 N 7.76 4.66 0.00 3.04 2.99 0.00 0.00 7.34 8.05 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 12 G 7.81 3.72 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 13 V 7.23 4.01 2.10 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 0.85 0.00 0.00 0.95 0.00 0.00 14 L 7.90 4.26 0.00 1.68 1.63 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.91 4.39 1.25 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 16 C 8.00 4.80 0.00 2.93 3.07 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 17 T 7.54 4.19 4.24 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 1.21 0.00 0.00