NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7797 8.4449 120.3857 56.2279 29.7389 171.7085 2 R 3.9648 7.8260 123.3024 53.6333 34.1106 172.9915 3 Y 4.8436 7.3439 116.4743 56.4024 39.5135 174.9470 4 Y 4.0995 8.0601 118.3295 59.5268 38.5274 176.0749 5 E 4.7099 8.7058 116.0795 57.0342 30.1341 176.7994 6 S 4.5785 7.8464 111.0993 58.4941 64.4053 172.3315 7 S 4.6408 7.1736 110.9983 58.8999 65.6110 175.0394 8 L 4.7676 8.5103 122.0370 55.0760 44.0989 176.4484 9 E 4.4416 7.8479 117.6925 55.2247 30.0890 175.3556 10 P 4.9761 0.0000 0.0000 63.0826 31.2952 176.8326 11 W 4.5305 8.6135 129.7980 59.2623 32.7952 175.7670 12 Y 4.3663 8.5054 114.3033 59.1699 38.3539 175.0768 13 P 4.4280 0.0000 0.0000 65.2877 31.9883 175.6032 14 D 4.0507 7.8348 121.6992 54.7194 41.1557 175.1749 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 H 8.44 4.78 0.00 3.15 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.83 3.96 0.00 1.90 1.74 0.00 3.11 0.00 0.00 2.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.55 0.00 3 Y 7.34 4.84 0.00 3.00 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 4 Y 8.06 4.10 0.00 3.00 2.97 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 5 E 8.71 4.71 0.00 2.13 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 0.00 2.35 2.39 0.00 6 S 7.85 4.58 0.00 3.83 3.86 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 S 7.17 4.64 0.00 4.09 3.86 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 L 8.51 4.77 0.00 1.64 1.63 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.85 4.44 0.00 2.18 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 2.29 2.24 0.00 10 P 0.00 4.98 0.00 2.35 2.34 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 11 W 8.61 4.53 0.00 3.48 3.35 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 Y 8.51 4.37 0.00 2.98 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 13 P 0.00 4.43 0.00 2.29 2.32 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 14 D 7.83 4.05 0.00 2.52 2.50 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