NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4443 8.3349 115.4125 58.2602 64.3676 172.5614 23 S 4.6569 8.1416 116.8238 56.2100 65.3654 173.5152 24 D 4.5794 9.0990 124.0929 53.4477 43.5677 175.4770 25 P 4.2397 0.0000 0.0000 66.2318 31.3577 179.0796 26 L 3.9878 7.8793 116.8654 57.5205 41.5299 179.5731 27 V 3.6268 7.6780 118.0683 65.6344 31.5169 178.0845 28 V 3.5327 7.8051 117.8540 65.9287 31.1876 177.7102 29 A 3.9573 7.9694 119.0535 55.3636 18.2944 179.2279 30 A 4.0861 7.7904 117.9093 55.3004 18.7166 179.7950 31 S 4.2937 8.1461 113.8904 61.5352 62.7906 177.6047 32 I 3.8602 7.9300 120.6514 61.6974 36.7290 178.2616 *34 G 3.9070 8.0748 110.9939 45.8082 0.0000 176.1005 35 I 3.7023 7.8994 121.0976 63.8581 37.0086 178.0386 36 L 3.9482 8.2273 121.6210 58.5506 41.7982 178.3395 37 H 4.1465 8.3069 117.4079 59.3331 29.7279 176.4226 38 L 3.9005 7.9665 121.8108 58.4560 41.8405 179.1098 39 I 3.7881 7.9373 119.5094 64.2986 36.9398 178.3618 40 L 3.9973 8.4182 120.3199 57.5857 41.3449 179.3531 41 W 4.0757 8.4883 128.3906 60.4862 30.5298 178.0598 42 I 3.5420 8.0328 119.6485 64.4729 36.3999 178.4625 43 L 3.9638 7.8558 118.4064 57.7610 41.4684 178.7805 44 D 4.4520 7.9993 118.2584 57.7285 40.8830 179.0882 45 R 3.8791 7.1565 116.6552 58.3674 30.0766 177.2621 46 L 4.2248 7.2560 122.7325 54.9176 41.7737 176.5939 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 22 S 8.33 4.44 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.66 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.10 4.58 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.24 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 26 L 7.88 3.99 0.00 1.68 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.68 3.63 2.21 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 1.03 0.00 0.00 0.93 0.00 0.00 28 V 7.81 3.53 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 1.03 0.00 0.00 0.96 0.00 0.00 29 A 7.97 3.96 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 30 A 7.79 4.09 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 31 S 8.15 4.29 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.86 2.01 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 1.46 0.87 0.92 0.00 0.00 *34 G 8.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.70 2.02 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 1.41 0.86 0.93 0.00 0.00 36 L 8.23 3.95 0.00 1.75 1.71 0.95 0.88 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 37 H 8.31 4.15 0.00 3.28 3.52 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.97 3.90 0.00 1.79 1.86 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.94 3.79 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.45 0.94 0.00 0.00 40 L 8.42 4.00 0.00 2.03 1.79 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.49 4.08 0.00 3.34 3.32 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 42 I 8.03 3.54 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.93 0.00 0.00 43 L 7.86 3.96 0.00 1.60 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.00 4.45 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.16 3.88 0.00 1.40 1.67 0.00 2.21 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.00 46 L 7.26 4.22 0.00 1.69 1.54 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.