NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3053 8.1133 120.8601 56.6737 32.0443 177.6466 2 M 3.9848 7.8992 116.7270 56.5961 31.9174 176.3756 3 K 4.1784 8.0907 119.2821 58.1289 33.1494 177.7419 4 Q 3.9903 7.8793 119.7586 58.9697 28.9719 178.0685 5 I 3.6851 7.7914 120.8233 64.5789 37.2447 178.2394 6 E 3.9776 8.1128 119.3250 59.5796 29.3504 179.3368 7 D 4.3702 8.0699 118.5980 57.2039 40.8345 178.9259 8 K 4.0059 8.2951 119.2033 59.4874 31.9693 179.4215 9 L 3.9851 8.1468 119.3756 57.7648 41.5066 179.1976 10 E 3.9551 8.1944 119.2375 58.8069 29.2848 178.5346 11 E 3.9525 7.8076 118.8276 59.0859 29.8044 178.4227 12 I 3.8570 7.7178 118.8635 64.5377 37.3100 178.1015 13 L 4.1654 7.9779 118.6016 57.3656 42.6598 179.2432 14 S 4.4240 7.7508 113.3263 58.4772 58.9303 173.3103 *16 Y 4.6854 7.5019 122.1378 58.5659 40.5943 177.9907 17 H 4.2243 8.3274 116.4109 58.9306 28.7501 177.4558 18 I 3.6821 7.8387 120.9815 64.5704 36.9619 177.7212 19 E 3.9104 8.2070 119.3570 59.5364 29.3666 178.5491 20 N 4.3893 8.3451 116.3094 56.1589 38.6884 177.1067 21 E 3.9680 8.4039 120.2074 59.7332 29.6281 179.5964 22 L 4.0249 8.2181 118.5491 57.6828 41.5363 179.4782 23 A 4.0231 8.1910 121.0007 54.8903 18.1624 179.7309 24 R 3.8111 8.0260 117.3725 59.6664 30.2257 178.7935 25 I 3.6851 7.7002 119.6387 64.2618 36.8749 178.3686 26 K 3.9197 7.9497 119.2841 59.2641 32.4458 178.3815 27 K 4.0439 8.2550 120.0964 59.5416 31.9189 178.3785 28 L 3.9840 7.9936 119.5208 57.9061 42.0850 178.1085 29 L 4.4732 7.7145 115.9379 54.1551 42.1780 177.2699 30 G 3.8116 7.0070 108.0145 44.2688 0.0000 173.3676 31 E 3.8175 8.6864 120.5809 56.5416 29.9040 177.0754 32 R 4.0870 8.5608 124.7469 56.6582 30.1782 175.7565 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 1 R 8.11 4.31 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 2 M 7.90 3.98 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 3 K 8.09 4.18 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.42 7.81 4 Q 7.88 3.99 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 5 I 7.79 3.69 2.05 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 1.52 0.49 0.91 0.00 0.00 6 E 8.11 3.98 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 7 D 8.07 4.37 0.00 3.04 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.30 4.01 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 L 8.15 3.99 0.00 1.87 1.73 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.19 3.96 0.00 2.27 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 11 E 7.81 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 12 I 7.72 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 1.52 0.72 0.90 0.00 0.00 13 L 7.98 4.17 0.00 1.76 1.80 1.03 1.19 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 14 S 7.75 4.42 0.00 3.92 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 *16 Y 7.50 4.69 0.00 3.06 2.96 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 17 H 8.33 4.22 0.00 3.26 3.54 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.84 3.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.59 0.90 0.00 0.00 19 E 8.21 3.91 0.00 1.99 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 0.00 2.43 2.43 0.00 20 N 8.35 4.39 0.00 2.84 2.87 0.00 0.00 7.02 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.40 3.97 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 22 L 8.22 4.02 0.00 1.85 1.72 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.81 0.00 2.22 1.97 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 I 7.70 3.69 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 1.41 0.64 0.91 0.00 0.00 26 K 7.95 3.92 0.00 1.90 1.99 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 27 K 8.25 4.04 0.00 1.86 2.01 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 L 7.99 3.98 0.00 1.70 1.99 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.71 4.47 0.00 1.74 1.69 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 3.82 0.00 1.94 1.91 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 2.30 2.33 0.00 32 R 8.56 4.09 0.00 1.79 1.79 0.00 3.37 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.