NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4336 8.4345 117.0992 57.8162 64.8841 175.3727 *10 Y 4.0107 7.6850 118.4610 59.9639 37.5705 181.6779 11 A 4.0329 8.3664 125.1251 54.3337 19.6289 177.6844 12 A 4.5748 7.9796 119.9168 53.5446 19.2446 178.4305 *13 Y 4.5365 7.7022 124.8556 61.7180 38.0736 180.5913 14 L 4.4870 7.6685 122.8799 60.2208 40.7547 184.7968 15 N 4.7682 8.1870 120.5672 57.8823 37.6183 182.0088 16 V 3.8967 7.7494 115.9128 63.1066 32.0030 179.9470 17 A 4.2653 7.5894 120.9092 54.4908 18.7845 179.3922 18 A 4.0327 7.7363 120.3297 55.4261 18.6346 179.3851 19 Q 4.0823 7.6392 113.5531 58.1585 28.3578 182.8245 20 A 4.4332 7.5622 122.7300 52.8897 15.6741 177.5847 21 I 4.3977 7.5069 120.6124 57.8723 36.9597 177.7344 22 R 4.3722 7.9272 132.5471 55.3054 28.5340 177.1447 *33 S 4.5633 7.7955 122.0491 58.6739 65.1854 178.9599 34 V 4.3049 7.5833 119.3644 61.0245 31.7037 179.4558 35 L 4.4471 7.7978 124.5581 56.2121 41.8148 180.9629 36 N 4.4872 8.1691 113.1026 55.3404 37.7493 181.6878 37 R 4.0673 7.8848 118.9844 60.6590 30.2845 178.1503 38 S 4.7942 7.7322 112.4835 57.5457 62.8474 175.4539 39 Q 4.7034 7.8466 121.1530 56.3738 32.7569 175.4326 40 T 4.6689 8.3361 114.6981 60.5407 72.3486 174.0847 41 D 4.9584 8.6217 124.9949 52.0952 40.7741 174.1585 42 A 4.6089 7.9219 125.4718 52.5405 20.7260 178.2611 *43 F 4.6001 8.2570 119.0318 56.6974 41.6167 174.2002 *44 Y 4.4248 8.4863 127.9886 55.0689 35.7538 173.3125 45 T 4.2984 8.0242 117.2286 60.2479 69.3817 173.4893 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 S 8.43 4.43 0.00 3.65 3.84 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 0.00 0.00 0.00 *10 Y 7.68 4.01 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.57 1.27 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 0.00 0.00 *13 Y 7.70 4.54 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.49 0.00 1.73 1.70 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.19 4.77 0.00 2.72 2.84 0.00 0.00 7.06 7.67 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 16 V 7.75 3.90 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 0.89 0.00 0.00 0.93 0.00 0.00 17 A 7.59 4.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.74 4.03 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 19 Q 7.64 4.08 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.35 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 20 A 7.56 4.43 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 21 I 7.51 4.40 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 0.88 0.91 0.00 0.00 22 R 7.93 4.37 0.00 1.81 1.78 0.00 3.26 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 *33 S 7.80 4.56 0.00 3.65 3.84 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 0.00 0.00 0.00 34 V 7.58 4.30 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 0.88 0.00 0.00 0.93 0.00 0.00 35 L 7.80 4.45 0.00 1.56 1.69 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.17 4.49 0.00 2.73 2.78 0.00 0.00 6.65 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.88 4.07 0.00 1.71 1.98 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 38 S 7.73 4.79 0.00 3.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.85 4.70 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 40 T 8.34 4.67 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 41 D 8.62 4.96 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.92 4.61 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 *43 F 8.26 4.60 0.00 2.26 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 0.00 0.00 0.00 *44 Y 8.49 4.42 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.02 4.30 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 * Residues marked with a * may have inaccurate shift predictions.