NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1993 8.3144 121.7893 56.3291 32.8955 176.6100 2 E 4.0912 8.7257 119.0988 53.3548 30.1940 175.2135 3 T 4.2645 8.6731 118.6735 61.0551 72.2741 174.9078 4 A 3.9883 8.5030 122.7466 55.2318 18.4559 179.8677 5 A 3.9761 8.0001 118.6468 55.2297 18.4989 179.5210 6 A 4.1412 8.1178 119.3576 55.1920 18.3741 179.7458 7 K 3.9793 8.3466 118.3248 59.5385 32.2976 178.5445 8 F 4.0927 8.3681 120.9168 61.5230 39.2460 176.9910 9 E 3.9593 8.2683 117.6426 59.4379 29.0809 179.3295 10 R 3.8360 7.9594 117.5889 59.6358 30.2453 178.2685 11 Q 4.0607 8.0677 116.6516 57.9087 28.8639 176.3765 12 H 4.6848 7.8311 113.0784 54.5191 30.7253 172.7801 13 L 4.6377 7.6413 121.9390 53.2305 43.4988 175.9729 14 D 4.6274 8.1618 124.2262 52.7169 41.5859 175.0466 15 S 4.3552 8.2861 118.8226 58.2220 62.9700 174.3281 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 K 8.31 4.20 0.00 1.74 1.38 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 2 E 8.73 4.09 0.00 2.05 1.84 0.00 0.00 0.00 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 2.37 0.00 3 T 8.67 4.26 4.25 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 1.22 0.00 0.00 4 A 8.50 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.12 4.14 1.35 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 0.00 0.00 7 K 8.35 3.98 0.00 1.92 2.05 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 F 8.37 4.09 0.00 3.21 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 9 E 8.27 3.96 0.00 2.32 2.02 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 2.46 2.63 0.00 10 R 7.96 3.84 0.00 1.77 2.06 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 11 Q 8.07 4.06 0.00 1.60 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 12 H 7.83 4.68 0.00 2.19 2.85 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.64 4.64 0.00 1.55 1.67 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.16 4.63 0.00 2.56 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.36 0.00 3.90 3.76 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