NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3368 8.2649 123.5821 51.3995 20.7480 176.7219 2 R 4.4075 7.8317 114.1931 53.0608 32.9983 173.3263 3 T 4.4414 8.2047 112.2895 60.9968 70.5749 173.5799 4 K 4.3395 7.1283 119.3835 57.1068 35.1062 173.6015 5 Q 4.2789 8.5116 118.7858 57.1688 30.6599 175.1503 6 T 3.0612 9.1253 109.1281 64.1993 69.0074 169.8073 7 A 3.5007 8.5775 122.1638 52.6315 14.9233 175.7474 8 R 4.1650 7.9077 117.2612 56.0066 31.6451 174.9533 9 K 4.4080 8.5831 126.6434 55.0602 31.7281 175.0472 10 S 4.4648 7.7864 116.1136 57.1730 65.9792 175.7410 11 T 3.5436 7.5588 117.5512 62.9356 69.1699 174.7913 12 G 3.7998 8.8122 112.2136 46.0799 0.0000 175.7007 13 G 4.0307 8.9781 113.5893 44.4549 0.0000 172.7350 *15 A 4.0394 8.2924 124.3139 51.0773 19.8385 174.7480 16 P 4.3080 0.0000 0.0000 63.5626 31.9312 177.5826 17 R 4.0565 8.6157 117.8793 56.9214 29.8386 175.9103 18 K 4.1280 7.7106 116.8901 56.6012 31.7446 176.2244 19 Q 4.6223 8.1893 121.0567 54.6570 31.4830 174.3902 20 L 4.2863 8.2495 120.8983 55.4156 42.4828 175.8781 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 A 8.26 4.34 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 2 R 7.83 4.41 0.00 1.83 1.81 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 3 T 8.20 4.44 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 4 K 7.13 4.34 0.00 1.82 1.81 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.39 7.81 5 Q 8.51 4.28 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.05 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 6 T 9.13 3.06 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 7 A 8.58 3.50 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.16 0.00 1.74 1.80 0.00 3.36 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 9 K 8.58 4.41 0.00 1.74 1.75 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.48 7.81 10 S 7.79 4.46 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.56 3.54 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 12 G 8.81 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 0.00 0.00 0.00 13 G 8.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.29 4.04 1.27 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 0.00 0.00 16 P 0.00 4.31 0.00 2.19 2.03 0.00 3.67 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 2.08 0.00 17 R 8.62 4.06 0.00 1.95 2.10 0.00 3.24 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 K 7.71 4.13 0.00 1.87 1.77 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.70 1.53 7.81 19 Q 8.19 4.62 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 20 L 8.25 4.29 0.00 1.56 1.49 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.