NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 P 4.4458 0.0000 0.0000 62.3701 33.2235 176.7183 14 I 4.2741 7.8616 114.8822 58.6887 43.1169 177.4246 *15 F 3.8464 8.6600 116.3092 57.9520 36.5006 177.7931 16 T 4.5926 7.5825 114.1255 63.1556 70.6560 179.3747 17 V 4.5543 7.6693 119.6990 60.5687 40.3000 180.4947 18 R 4.1430 7.8996 118.6632 56.9798 27.3701 179.5678 19 W 4.1032 8.7662 127.7432 61.2984 31.7707 176.9964 20 V 4.3306 7.5782 116.1744 60.1208 29.0919 175.6103 21 A 4.8129 8.1075 129.9177 52.6427 26.3000 180.1947 22 V 3.7472 7.4192 118.9045 66.5902 31.1300 180.5209 *23 H 4.6376 8.2845 119.1864 60.4227 27.6451 182.6312 24 T 4.0264 7.5844 116.7401 66.9758 68.3812 181.9694 25 L 4.4607 7.7961 122.9113 58.3952 41.6655 180.4683 26 A 4.4860 7.9825 120.5333 54.5814 18.0880 180.3305 27 V 3.8072 7.5286 120.7420 65.5539 31.6386 182.1416 28 P 4.8555 0.0000 0.0000 66.9464 30.4874 183.2148 29 T 4.4260 7.7923 115.0478 67.2298 68.6249 182.3746 30 I 4.3050 7.6314 121.0996 64.3410 35.7840 181.1779 31 F 4.4038 8.4212 122.6370 61.8689 39.0004 177.0720 *32 F 4.5049 8.0514 119.9956 60.6223 36.4944 181.1564 33 L 4.3627 7.6258 121.0606 59.6209 40.6195 184.6226 34 G 4.0729 7.8753 104.6955 47.0644 0.0000 175.6880 35 A 3.9739 7.5958 123.7476 54.9985 18.5900 179.8639 36 I 3.9755 7.3257 117.7638 63.5990 34.7585 181.8402 37 A 4.3979 7.3203 117.5431 53.5479 18.6129 178.5471 38 A 4.4007 7.8036 121.3828 54.3817 18.9869 179.1595 39 M 4.2162 7.4960 119.5546 58.1049 32.0246 182.2458 40 Q 4.6725 7.4616 118.5826 59.5634 29.2197 183.2411 *41 F 4.6530 7.5590 121.6882 61.2089 38.6016 181.4268 42 I 4.2670 7.0913 120.4488 59.9708 35.5081 178.2975 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 13 P 0.00 4.45 0.00 2.23 2.28 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 14 I 7.86 4.27 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 0.37 0.91 0.00 0.00 *15 F 8.66 3.85 0.00 2.45 2.27 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 16 T 7.58 4.59 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 17 V 7.67 4.55 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 0.59 0.00 0.00 0.93 0.00 0.00 18 R 7.90 4.14 0.00 1.97 1.71 0.00 3.24 0.00 0.00 3.15 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 19 W 8.77 4.10 0.00 3.46 3.08 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 0.00 0.00 0.00 0.00 20 V 7.58 4.33 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 0.75 0.00 0.00 0.93 0.00 0.00 21 A 8.11 4.81 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 22 V 7.42 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 *23 H 8.28 4.64 0.00 2.91 3.10 0.00 7.15 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.58 4.03 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 25 L 7.80 4.46 0.00 1.74 1.60 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.98 4.49 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.53 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 28 P 0.00 4.86 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 29 T 7.79 4.43 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 30 I 7.63 4.31 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 1.41 0.56 0.91 0.00 0.00 31 F 8.42 4.40 0.00 3.12 3.24 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 *32 F 8.05 4.50 0.00 2.38 2.26 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 L 7.63 4.36 0.00 1.61 1.69 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.60 3.97 1.16 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 0.00 0.00 36 I 7.33 3.98 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 1.45 0.73 0.91 0.00 0.00 37 A 7.32 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.80 4.40 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.50 4.22 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 40 Q 7.46 4.67 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 *41 F 7.56 4.65 0.00 2.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.09 4.27 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 1.16 1.17 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.