NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2809 8.1844 122.4909 54.9972 42.9605 176.6924 2 V 4.2610 7.0569 122.4653 58.7402 32.4542 173.8099 3 K 4.3777 8.1254 120.2628 57.1227 36.1200 176.0765 4 C 3.9420 9.0312 120.8194 55.7714 44.5162 172.7540 5 R 3.6357 9.2163 113.2485 56.9791 29.8173 176.7332 6 G 3.9809 7.7048 105.0222 46.2403 0.0000 174.0132 7 T 4.3493 7.5219 114.1153 63.3813 70.3431 176.1939 8 S 5.5667 7.4992 126.5097 58.6273 63.2089 178.4818 9 D 4.4359 7.5312 120.5471 57.6963 40.7640 178.9582 10 C 4.2920 8.3557 116.5219 60.1812 41.2450 176.4871 11 G 3.5146 7.6915 106.0420 47.5842 0.0000 176.0608 12 R 3.9255 8.2192 120.6642 58.7644 29.9834 177.0950 13 P 4.3398 0.0000 0.0000 65.8828 31.8279 177.3834 14 C 4.4818 8.1799 112.8267 58.3524 41.4504 175.7783 15 Q 3.8435 8.0630 119.5302 58.9810 28.0233 177.9424 16 Q 4.0928 7.4462 119.5475 60.1244 29.0630 177.9238 17 Q 4.0336 8.0656 119.1348 60.5148 29.6171 180.3723 18 T 4.1572 8.3454 125.2015 63.4260 68.4106 172.8888 19 G 3.8053 7.8135 108.2837 47.3491 0.0000 171.0460 *21 P 4.1898 0.0000 0.0000 61.8249 32.6609 178.3625 22 N 5.0388 7.3656 115.3707 51.3449 39.9152 172.2671 23 S 4.6634 7.9412 113.8553 57.3362 65.5422 175.6164 24 K 4.4325 7.9585 118.7654 55.9540 36.2275 174.4569 25 C 5.2165 8.8144 123.0457 55.0024 44.7075 172.8880 26 I 4.7505 8.6780 124.5690 58.7551 41.0628 175.2864 27 N 4.1454 9.0662 124.9888 57.1138 38.9566 176.0643 28 R 3.9986 8.1346 115.0434 58.6053 30.3092 175.7971 29 M 4.2722 7.5531 114.4877 54.9300 35.7995 172.4026 30 C 4.9200 8.5882 120.3167 56.7212 44.6911 172.2107 31 K 4.7689 9.1080 121.2116 55.9919 36.3248 174.3172 32 C 4.7641 8.4836 117.4542 55.7969 44.5061 173.6564 33 Y 3.5169 8.2283 118.3011 58.6896 36.7980 171.4727 34 G 3.6029 7.4832 110.8168 45.3746 0.0000 170.2924 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 L 8.18 4.28 0.00 1.60 1.68 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.06 4.26 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 0.71 0.00 0.00 0.93 0.00 0.00 3 K 8.13 4.38 0.00 1.69 1.65 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.33 7.81 4 C 9.03 3.94 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.22 3.64 0.00 2.10 1.95 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 6 G 7.70 3.98 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 0.00 0.00 0.00 7 T 7.52 4.35 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 8 S 7.50 5.57 0.00 3.89 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 9 D 7.53 4.44 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.29 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.69 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.93 0.00 1.85 1.98 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 13 P 0.00 4.34 0.00 2.02 2.12 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 14 C 8.18 4.48 0.00 3.21 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 3.84 0.00 2.34 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 16 Q 7.45 4.09 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 17 Q 8.07 4.03 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 18 T 8.35 4.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 19 G 7.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.18 2.13 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 22 N 7.37 5.04 0.00 2.82 2.73 0.00 0.00 7.24 7.64 0.00 0.00 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 S 7.94 4.66 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.43 0.00 1.68 1.67 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.32 7.81 25 C 8.81 5.22 0.00 2.91 2.88 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 26 I 8.68 4.75 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 1.18 1.58 1.04 0.00 0.00 27 N 9.07 4.15 0.00 2.71 2.87 0.00 0.00 7.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.13 4.00 0.00 1.84 1.99 0.00 3.46 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 29 M 7.55 4.27 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 30 C 8.59 4.92 0.00 3.03 2.97 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 31 K 9.11 4.77 0.00 1.65 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.53 7.81 32 C 8.48 4.76 0.00 2.83 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.23 3.52 0.00 3.25 2.88 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 34 G 7.48 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.