NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.7580 8.1545 117.8822 60.5672 32.8019 175.5044 10 Q 4.1748 8.1807 124.5844 51.7002 29.6435 169.1944 11 Y 4.7042 8.5724 123.9757 56.7105 39.8230 176.0812 12 L 4.4189 8.5822 123.6813 55.0053 42.0748 176.8771 13 T 4.0405 7.4853 113.8484 61.9934 67.6598 175.3279 14 R 4.1316 8.5736 125.0595 57.6128 29.9222 177.3629 15 S 4.5002 8.1999 112.5191 58.5691 63.9405 174.4019 16 A 4.5543 8.4078 123.2141 53.4591 20.6464 176.8587 17 I 4.2086 7.4757 106.9741 59.5755 38.9927 175.7986 18 R 3.9214 8.3931 120.8865 56.7115 30.3219 176.5144 19 R 4.3286 8.4407 121.6882 54.7315 31.0187 176.2698 20 A 4.2916 8.3865 126.4614 51.1616 19.3797 177.0492 21 S 4.0615 8.5708 118.2802 58.8164 63.5146 174.3934 22 T 3.8082 8.6772 118.4523 61.6859 67.8745 172.7772 23 I 4.0059 8.2129 124.1847 59.3037 35.4871 173.3163 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 9 V 8.15 3.76 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 10 Q 8.18 4.17 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.83 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 11 Y 8.57 4.70 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.42 0.00 1.67 1.71 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.49 4.04 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 1.26 0.00 0.00 14 R 8.57 4.13 0.00 1.85 1.97 0.00 3.25 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 15 S 8.20 4.50 0.00 3.97 3.97 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 16 A 8.41 4.55 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.21 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.67 0.98 0.00 0.00 18 R 8.39 3.92 0.00 1.83 1.93 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 19 R 8.44 4.33 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 20 A 8.39 4.29 1.24 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 0.00 0.00 0.00 21 S 8.57 4.06 0.00 3.99 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 22 T 8.68 3.81 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 23 I 8.21 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00