NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8546 8.2133 109.7182 44.9292 0.0000 175.2136 3 K 3.4857 8.5042 119.5537 58.2705 32.1693 176.7142 4 G 3.3510 7.6550 106.6481 46.4204 0.0000 172.9653 5 D 4.3036 8.3862 120.5384 53.6703 40.5423 176.5509 6 R 3.5721 8.4862 128.2578 59.0564 30.6822 177.1119 7 R 3.9390 7.3032 117.7298 54.9208 29.5537 175.3795 8 T 4.4807 6.8828 106.6768 59.5196 73.6053 173.4201 9 R 4.1537 8.4976 120.1256 59.6145 30.0436 178.2189 10 R 4.0383 8.0238 117.2089 59.4404 30.0514 179.1146 11 G 4.1019 7.4797 105.1268 46.3703 0.0000 175.2417 12 K 4.2831 8.1884 120.6974 58.9984 32.5945 178.5823 13 I 3.6330 7.7524 119.4407 64.4528 36.8109 177.6950 14 W 4.1250 8.2683 127.8149 60.6548 30.8809 177.2818 15 R 4.1623 8.0856 116.0106 55.9911 29.3105 178.0630 16 G 3.8359 8.4482 105.0270 46.8000 0.0000 174.2386 17 T 4.3101 7.3416 109.5881 61.0070 70.2380 172.7008 18 Y 4.8763 9.0175 117.8523 55.5757 42.1716 175.4758 19 G 3.9460 8.6129 106.8866 45.7664 0.0000 172.1456 20 K 3.6574 8.6215 120.1816 60.1841 31.8017 178.2445 21 Y 4.2977 7.7875 112.7145 59.3637 38.1675 176.7541 22 R 4.6312 8.1712 121.2131 54.3200 31.2327 172.0352 23 P 4.7925 0.0000 0.0000 62.0466 32.2522 176.9258 24 R 3.8528 8.2801 118.7901 56.5343 29.7781 177.6840 25 K 3.9824 7.7851 117.4728 56.6022 31.4705 177.5836 *26 K 4.1215 8.2148 119.2637 55.0978 32.3269 173.6954 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 2 G 8.21 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.50 3.49 0.00 1.37 1.04 0.00 1.56 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.40 7.81 4 G 7.66 3.35 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 0.00 5 D 8.39 4.30 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.49 3.57 0.00 1.78 1.92 0.00 3.32 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 7 R 7.30 3.94 0.00 1.47 1.09 0.00 3.21 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 8 T 6.88 4.48 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 9 R 8.50 4.15 0.00 1.95 1.97 0.00 3.23 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 10 R 8.02 4.04 0.00 1.87 1.98 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 11 G 7.48 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.19 4.28 0.00 2.17 1.80 0.00 1.67 0.00 0.00 1.93 0.00 0.00 3.32 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.53 7.81 13 I 7.75 3.63 2.02 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 1.48 1.06 0.91 0.00 0.00 14 W 8.27 4.12 0.00 3.27 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 15 R 8.09 4.16 0.00 2.42 1.95 0.00 4.05 0.00 0.00 3.49 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 16 G 8.45 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.34 4.31 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 18 Y 9.02 4.88 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.61 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.62 3.66 0.00 1.59 1.55 0.00 1.62 0.00 0.00 1.28 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.79 1.26 7.81 21 Y 7.79 4.30 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 4.63 0.00 1.83 1.80 0.00 2.88 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 23 P 0.00 4.79 0.00 2.25 1.96 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 24 R 8.28 3.85 0.00 1.63 1.65 0.00 3.02 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 25 K 7.79 3.98 0.00 1.89 2.06 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.51 7.81 *26 K 8.21 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.