NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3341 8.1133 119.7062 56.1995 31.5476 175.9488 2 S 4.1953 8.2713 114.8884 58.4132 63.0112 175.1555 3 K 4.1220 8.7064 120.4855 59.0245 33.9967 178.3115 4 D 4.4954 7.7173 119.2227 56.6735 40.5406 178.3715 5 L 4.0706 7.5988 120.0767 57.7089 41.1485 179.3935 6 R 4.0091 7.7853 116.8670 58.7494 30.1324 178.1293 7 H 4.2470 8.3782 117.9538 58.5339 29.8140 176.9665 8 A 4.1306 7.8170 123.0896 54.9402 18.0721 179.1862 9 F 4.1520 8.0867 118.6242 60.9252 39.2890 177.2287 10 R 4.0434 7.9637 118.2030 58.9166 29.6021 177.8150 11 S 4.3052 7.9272 111.9776 60.4276 62.4275 175.0387 12 M 4.1039 7.7177 120.2164 56.6687 31.7825 178.0716 13 F 3.7724 7.8886 121.9459 60.7267 39.4532 175.2344 14 P 4.3921 0.0000 0.0000 65.4065 31.4385 177.8260 15 S 4.3455 7.3121 114.1430 60.5612 63.0353 175.7653 16 S 4.2194 8.0317 115.3009 59.9737 62.2357 173.3463 17 E 4.0652 7.6872 126.6146 56.3000 29.3906 175.7392 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 R 8.11 4.33 0.00 1.93 1.92 0.00 3.13 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 2 S 8.27 4.20 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.71 4.12 0.00 1.93 2.06 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 4 D 7.72 4.50 0.00 3.04 2.76 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 0.00 0.00 0.00 5 L 7.60 4.07 0.00 1.93 1.72 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.79 4.01 0.00 2.01 1.97 0.00 3.08 0.00 0.00 3.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 7 H 8.38 4.25 0.00 3.30 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.82 4.13 1.47 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 9 F 8.09 4.15 0.00 3.22 3.13 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 R 7.96 4.04 0.00 1.83 1.83 0.00 3.17 0.00 0.00 3.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.00 11 S 7.93 4.31 0.00 4.05 3.85 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 M 7.72 4.10 0.00 1.80 1.95 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 13 F 7.89 3.77 0.00 3.27 3.02 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 14 P 0.00 4.39 0.00 2.29 2.22 0.00 3.95 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 15 S 7.31 4.35 0.00 3.98 3.92 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 16 S 8.03 4.22 0.00 3.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.69 4.07 0.00 2.05 1.79 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 2.30 2.21 0.00