NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.3334 8.3545 119.0729 56.0639 31.8323 177.3545 *19 W 3.9711 8.0853 118.2193 58.1645 28.5165 173.8873 20 V 4.1123 7.8857 117.9692 59.5217 30.7844 176.0784 21 A 4.7990 8.0736 129.3312 52.5887 26.0805 179.9952 22 V 3.8138 7.9291 118.3892 66.5444 31.2472 180.5355 *23 H 4.6219 8.2696 118.8826 60.3126 27.6622 182.8941 24 T 4.0424 7.6119 117.0469 67.0871 68.4038 182.1647 25 L 4.4769 7.8095 123.0540 58.3654 41.6804 180.2812 26 A 4.4727 7.9538 120.8904 54.6406 17.9205 180.3465 27 V 3.7803 7.5111 120.7240 65.5525 31.0939 182.0896 28 P 4.8194 0.0000 0.0000 66.7292 29.8606 183.0847 29 T 4.3807 8.0532 116.2106 67.1998 68.0757 182.4971 30 I 4.4984 7.6576 123.3839 64.7166 35.6027 180.9270 *31 F 4.6745 8.1055 119.9652 60.6963 36.7795 180.6759 *32 F 4.9635 7.6930 118.0238 60.4588 38.3967 183.0652 33 L 4.7345 7.4281 120.7467 59.2592 40.8896 184.3540 34 G 4.1578 7.8498 104.1497 46.9452 0.0000 175.9117 35 A 4.0823 8.0720 125.7971 55.1690 18.6290 179.8251 36 I 3.9228 7.3452 112.5662 61.8197 34.8729 182.1104 37 A 4.3320 7.4110 119.1700 53.8728 18.2566 178.8118 38 A 4.4463 7.9673 121.1830 54.6997 18.9582 179.2782 39 M 4.1026 7.6442 118.5750 58.4045 31.8767 182.0934 40 Q 4.6976 7.4964 117.4417 59.4541 29.2913 183.1713 *41 F 4.6802 7.5155 121.1784 61.7913 38.5275 183.3919 42 I 4.3024 7.3004 119.8342 65.0918 35.5046 180.8435 43 Q 4.4027 7.9739 120.7104 55.4647 28.1563 179.5443 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 18 R 8.35 4.33 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *19 W 8.09 3.97 0.00 2.59 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 20 V 7.89 4.11 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 21 A 8.07 4.80 1.26 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 0.00 0.00 22 V 7.93 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 0.80 0.00 0.00 0.93 0.00 0.00 *23 H 8.27 4.62 0.00 2.91 3.10 0.00 7.15 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 24 T 7.61 4.04 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 7.81 4.48 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 7.95 4.47 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 27 V 7.51 3.78 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 4.82 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 8.05 4.38 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 7.66 4.50 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 1.38 0.56 0.91 0.00 0.00 *31 F 8.11 4.67 0.00 2.37 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 0.00 0.00 0.00 0.00 *32 F 7.69 4.96 0.00 2.29 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 33 L 7.43 4.73 0.00 1.84 1.69 0.92 1.05 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 7.85 4.16 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 0.00 35 A 8.07 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 36 I 7.35 3.92 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 1.23 0.72 0.91 0.00 0.00 37 A 7.41 4.33 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 38 A 7.97 4.45 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 7.64 4.10 0.00 2.27 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 2.51 2.41 0.00 40 Q 7.50 4.70 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 *41 F 7.52 4.68 0.00 2.52 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 7.30 4.30 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 1.38 1.11 0.91 0.00 0.00 43 Q 7.97 4.40 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.62 0.00 0.00 0.00 0.00 0.00 2.26 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.