NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9136 8.4549 115.5911 55.2281 43.8354 171.7796 2 K 4.5322 8.1663 116.5117 54.4072 35.7346 175.2373 3 G 4.0075 9.4840 113.0286 45.6437 0.0000 173.0757 4 K 4.1205 8.5666 120.6859 58.8460 30.4024 175.0816 5 G 3.1824 7.6681 114.0763 44.8291 0.0000 171.3188 6 A 4.4991 7.6824 122.9645 50.0676 21.3781 177.8407 7 K 4.5976 8.4275 121.7936 56.4616 30.5666 176.5816 8 C 5.0058 8.4890 122.2563 54.7088 46.5211 173.1223 9 S 4.8260 7.9219 111.6610 57.8780 66.9358 175.8188 10 R 3.6218 8.5745 122.2975 59.0605 29.8900 177.5261 11 L 4.5149 7.6039 116.5348 54.7214 41.8926 176.4456 12 M 4.5500 7.5981 118.4794 54.7070 34.1124 174.9062 13 Y 4.3577 8.2682 128.1644 56.8630 37.9176 176.7088 14 D 4.5047 7.9192 120.7833 56.1738 40.3118 177.9085 15 C 5.1624 7.6947 117.1837 56.4992 40.8158 173.8645 16 C 4.1483 8.9629 120.7639 59.9315 39.9492 174.9895 17 T 4.4558 7.6982 112.7870 62.8246 67.5066 173.3207 18 G 4.1807 7.7726 103.7892 46.4965 0.0000 175.1582 19 S 4.3029 8.1122 114.1440 59.4853 63.6214 175.7492 20 C 3.9444 8.2080 119.8859 57.5401 38.1472 174.2193 21 R 4.4919 8.5862 126.0386 55.9518 29.3788 175.7203 22 S 3.8851 8.6540 111.0998 57.3878 61.3457 172.6689 23 G 3.7183 7.1520 115.1136 44.8882 0.0000 173.5159 24 K 4.6956 7.5599 122.5156 54.4075 34.3065 175.2739 25 C 4.6941 9.0727 123.4912 57.3922 41.0817 173.6183 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 C 8.45 4.91 0.00 3.20 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.53 0.00 1.77 1.69 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.46 7.81 3 G 9.48 4.01 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 0.00 0.00 0.00 4 K 8.57 4.12 0.00 1.74 1.82 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 5 G 7.67 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.50 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 7 K 8.43 4.60 0.00 1.77 1.74 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 8 C 8.49 5.01 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.83 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 3.62 0.00 1.74 1.97 0.00 3.18 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 11 L 7.60 4.51 0.00 1.56 1.62 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.60 4.55 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 13 Y 8.27 4.36 0.00 2.96 2.98 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 0.00 0.00 0.00 14 D 7.92 4.50 0.00 2.90 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 15 C 7.69 5.16 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 4.15 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 4.46 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 1.23 0.00 0.00 18 G 7.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.11 4.30 0.00 3.90 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 20 C 8.21 3.94 0.00 2.87 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 21 R 8.59 4.49 0.00 2.02 1.82 0.00 3.34 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 22 S 8.65 3.89 0.00 3.95 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 23 G 7.15 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 24 K 7.56 4.70 0.00 1.77 1.63 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.27 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 25 C 9.07 4.69 0.00 3.26 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00