NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1012 8.2544 120.8598 57.2237 31.1294 174.2436 2 D 4.1499 8.6758 122.6238 54.6664 38.9538 170.9238 3 C 5.0265 8.8331 120.6852 58.2787 48.7771 176.5772 4 C 4.2020 8.1014 113.7304 58.6599 40.1104 174.6265 5 T 3.7667 7.7484 111.5987 63.5289 66.6470 173.3944 *8 R 4.3374 7.5619 117.8955 56.5935 31.1446 173.5862 9 K 4.2881 8.4435 117.0317 57.7601 34.1284 177.0289 10 C 4.5308 8.2254 112.2742 57.7621 38.1725 174.7813 11 K 4.0897 7.6795 119.2619 59.2985 32.2271 178.1189 12 D 4.5153 7.8156 117.7764 53.9564 41.6510 176.9580 13 R 3.8596 8.6419 122.4778 59.8209 30.1845 179.1131 14 R 3.9862 7.9508 114.9600 58.7963 30.1224 178.1331 15 C 4.5843 7.6669 113.1177 57.1907 40.5548 173.5220 16 K 4.2237 7.9193 120.9842 56.9022 31.8273 175.9855 *18 M 4.2541 7.9544 116.5274 54.1432 31.7951 176.3391 19 K 3.9856 9.1346 122.7828 59.3465 32.6100 177.6556 20 C 4.5179 8.2676 112.7127 57.9856 41.7567 175.3196 21 C 4.4425 7.6474 116.1868 58.4572 39.0963 173.4614 22 A 4.1314 8.2386 127.0229 52.7335 19.0970 175.7128 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 8.25 4.10 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 2 D 8.68 4.15 0.00 2.88 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.83 5.03 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.10 4.20 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 3.77 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 1.28 0.00 0.00 *8 R 7.56 4.34 0.00 1.87 1.89 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 9 K 8.44 4.29 0.00 1.73 1.77 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 C 8.23 4.53 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 4.09 0.00 1.79 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.55 7.81 12 D 7.82 4.52 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.86 0.00 1.84 1.92 0.00 3.19 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 1.70 1.66 0.00 14 R 7.95 3.99 0.00 1.84 1.99 0.00 3.25 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 15 C 7.67 4.58 0.00 3.18 3.12 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 0.00 0.00 0.00 16 K 7.92 4.22 0.00 1.85 1.78 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 *18 M 7.95 4.25 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 19 K 9.13 3.99 0.00 1.97 2.11 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 20 C 8.27 4.52 0.00 3.10 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.65 4.44 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 4.13 1.20 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.