NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.3674 8.6798 117.5597 57.2201 41.7998 172.9427 2 T 4.2665 7.8794 111.4805 58.8997 69.7806 173.5142 3 K 4.2554 8.2834 119.4210 57.2930 33.3926 178.2886 4 S 4.6052 7.9332 114.5678 57.7727 64.9262 173.0176 5 I 4.6157 7.8307 120.3610 58.5203 38.6818 173.6214 6 P 4.4212 0.0000 0.0000 61.4068 31.9092 174.7252 7 P 4.6032 0.0000 0.0000 62.4950 32.4804 175.4349 8 I 4.4373 8.3329 122.7651 60.0372 39.2431 174.9478 9 C 5.6650 8.9242 124.4834 54.4139 42.2400 174.2464 10 T 4.2694 8.4232 113.2752 61.1208 69.4820 173.4657 11 K 4.2978 8.2973 121.1997 56.8847 32.0884 176.6068 12 S 4.7034 7.8166 111.3201 56.5465 65.2195 172.9612 13 I 4.6628 7.8675 120.9342 58.6098 39.4029 173.8000 14 P 4.4077 0.0000 0.0000 61.4830 31.8901 174.7515 15 P 4.5074 0.0000 0.0000 62.3952 32.1088 176.3018 16 I 4.0488 8.1845 119.3666 61.6829 37.5571 175.6046 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 8.68 5.37 0.00 2.98 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 2 T 7.88 4.27 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 3 K 8.28 4.26 0.00 1.89 1.94 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 S 7.93 4.61 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 4.62 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 1.47 0.67 0.91 0.00 0.00 6 P 0.00 4.42 0.00 2.17 2.06 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 7 P 0.00 4.60 0.00 2.09 2.34 0.00 3.34 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 8 I 8.33 4.44 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 1.34 1.18 0.91 0.00 0.00 9 C 8.92 5.66 0.00 2.83 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 10 T 8.42 4.27 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 11 K 8.30 4.30 0.00 1.74 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 S 7.82 4.70 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 4.66 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 1.47 0.67 0.91 0.00 0.00 14 P 0.00 4.41 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 15 P 0.00 4.51 0.00 2.20 2.32 0.00 3.32 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 16 I 8.18 4.05 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 0.80 0.93 0.00 0.00