NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4453 8.3349 115.4125 57.8376 64.4134 172.8084 23 S 4.2099 8.2721 116.2645 57.4964 63.4236 173.6037 24 D 4.4645 9.3529 124.8100 53.8006 43.2297 175.5201 25 P 4.1889 0.0000 0.0000 66.0203 31.4218 178.5466 26 L 3.9462 7.8764 118.2796 58.0073 41.9949 179.1134 27 V 3.5346 7.6709 117.6780 65.9221 31.5675 177.6048 28 V 3.5479 7.9628 118.1130 66.2652 31.0444 177.6666 29 A 3.9571 8.3779 118.6698 55.3363 18.2986 179.1933 30 A 4.0845 7.8925 117.9147 55.2874 18.6676 179.8059 31 S 4.2848 8.3190 113.9109 61.5798 62.8304 177.7945 32 I 4.0204 7.9116 120.9336 61.6451 36.9366 178.3047 *34 G 3.9028 8.0664 110.5611 45.8236 0.0000 176.0884 35 I 3.6821 7.9583 121.3691 63.9692 36.9686 178.3032 36 L 3.9779 8.3375 121.6231 58.3277 41.8093 178.4535 37 H 4.2151 8.2186 117.7285 59.1735 29.8170 176.6783 38 L 3.9037 7.8549 121.9994 58.4057 41.9106 179.0714 39 I 3.7754 7.8007 119.6019 64.3354 36.9241 178.5062 40 L 4.0244 8.3921 120.2850 57.4623 41.5054 179.2326 41 W 4.0693 8.5078 128.5893 60.5083 30.6895 178.0680 42 I 3.5661 8.2936 119.7877 64.4199 36.3855 178.3948 43 L 3.9439 7.7676 118.3971 57.7903 41.4981 178.7752 44 D 4.3647 7.9792 117.1045 57.4640 41.2309 178.2810 45 R 3.7450 7.3136 117.3290 58.8234 29.9831 177.2653 46 L 4.2100 7.4635 122.2857 54.9471 41.7613 176.7314 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 4.45 0.00 3.99 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 23 S 8.27 4.21 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 9.35 4.46 0.00 2.68 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 4.19 0.00 2.15 2.14 0.00 3.60 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 2.12 2.18 0.00 26 L 7.88 3.95 0.00 1.75 1.66 0.92 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 27 V 7.67 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 0.97 0.00 0.00 0.93 0.00 0.00 28 V 7.96 3.55 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 1.03 0.00 0.00 0.93 0.00 0.00 29 A 8.38 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.28 0.00 4.01 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 7.91 4.02 2.00 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 0.76 0.92 0.00 0.00 *34 G 8.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.68 1.99 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 0.84 0.92 0.00 0.00 36 L 8.34 3.98 0.00 1.75 1.69 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.22 4.22 0.00 3.26 3.46 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.85 3.90 0.00 1.78 1.82 0.90 1.06 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 39 I 7.80 3.78 2.04 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 1.56 0.74 0.94 0.00 0.00 40 L 8.39 4.02 0.00 1.91 1.78 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.51 4.07 0.00 3.32 3.31 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 42 I 8.29 3.57 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.45 0.93 0.00 0.00 43 L 7.77 3.94 0.00 1.75 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.98 4.36 0.00 2.65 2.64 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 0.00 0.00 0.00 0.00 45 R 7.31 3.75 0.00 1.45 1.57 0.00 2.96 0.00 0.00 2.82 7.59 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 7.46 4.21 0.00 1.74 1.53 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.