NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4125 8.3349 115.4126 58.3803 64.3172 172.2686 23 S 4.6333 8.0615 116.3729 55.8504 65.5683 173.3254 24 D 4.4971 9.1226 122.8449 54.0247 43.2455 175.7386 25 P 4.2673 0.0000 0.0000 65.8521 31.3664 178.8447 26 L 3.9449 7.8424 118.6483 57.9489 42.0704 179.0383 27 V 3.6144 7.6145 118.0119 65.7032 31.5747 177.9438 28 V 3.5479 7.9253 117.8795 66.0336 31.1445 177.8930 29 A 3.9955 8.0825 119.2269 55.1170 18.2793 179.1438 30 A 4.0875 7.8806 118.3847 55.2995 18.6235 179.8443 31 S 4.2790 8.0827 113.6829 61.6184 62.9440 178.0995 32 I 4.0084 7.6922 121.4094 61.6043 37.0954 178.3172 *34 G 3.9707 8.1107 110.8546 45.8074 0.0000 176.1571 35 I 3.7116 8.1600 121.3105 64.0172 36.9851 178.1546 36 L 3.9750 8.4077 121.6345 58.4077 41.8780 178.4105 37 H 4.2151 8.2641 117.5917 59.2300 29.7670 176.6088 38 L 3.9596 7.9862 121.9224 58.3403 41.8937 178.7190 39 I 3.7622 7.8784 119.6088 64.7739 37.1051 178.3934 40 L 4.0392 8.2748 119.6222 57.4578 41.4066 179.4518 41 W 4.1057 8.4417 128.4474 60.3743 30.6436 178.1322 42 I 3.4612 8.4248 120.1740 64.4202 36.3993 178.3305 43 L 3.9249 7.7884 118.3471 57.8300 41.5047 178.7230 44 D 4.3798 7.7181 116.8505 57.5354 41.1914 178.3708 45 R 3.7782 7.1319 117.2890 58.8168 30.0388 177.2323 46 L 4.2085 7.6764 122.3476 54.9662 41.7529 176.7827 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 4.41 0.00 3.99 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 23 S 8.06 4.63 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.50 0.00 2.76 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 25 P 0.00 4.27 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 26 L 7.84 3.94 0.00 1.71 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.61 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 28 V 7.93 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 29 A 8.08 4.00 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 30 A 7.88 4.09 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 31 S 8.08 4.28 0.00 4.07 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 7.69 4.01 1.88 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 0.70 0.92 0.00 0.00 *34 G 8.11 3.97 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 0.00 0.00 0.00 35 I 8.16 3.71 2.00 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 0.80 0.93 0.00 0.00 36 L 8.41 3.98 0.00 1.80 1.70 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.26 4.22 0.00 3.24 3.46 0.00 5.75 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 7.99 3.96 0.00 1.79 1.85 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.88 3.76 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.55 0.94 0.00 0.00 40 L 8.27 4.04 0.00 1.95 1.79 0.96 0.94 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 8.44 4.11 0.00 3.39 3.38 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 42 I 8.42 3.46 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 1.77 1.02 0.92 0.00 0.00 43 L 7.79 3.92 0.00 1.59 1.71 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.72 4.38 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 45 R 7.13 3.78 0.00 1.42 1.57 0.00 3.03 0.00 0.00 2.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 46 L 7.68 4.21 0.00 1.70 1.53 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.