NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5855 8.4549 118.0415 57.0777 41.2933 172.4892 2 Y 4.7277 8.4733 117.5163 56.2420 42.5010 172.1938 3 C 5.4364 9.5777 120.8162 56.2017 42.6524 173.1495 4 R 5.2577 9.5890 121.7363 54.7713 34.7094 174.0248 5 I 4.9932 8.6137 122.5134 59.1679 39.4006 173.8870 6 P 4.4385 0.0000 0.0000 63.8227 32.1317 174.9731 7 A 4.5435 7.3495 119.6306 51.2648 21.8683 176.1593 8 C 4.5806 8.5390 116.9370 57.0848 42.2937 173.7652 9 I 4.3848 8.3206 122.4131 59.0964 38.9242 175.0838 10 A 3.9517 8.2735 123.6285 54.2262 18.1038 178.1678 11 G 4.0284 9.1959 111.8370 44.8654 0.0000 172.7343 12 E 4.9762 7.8484 118.1986 54.6568 32.2882 175.2539 13 R 4.6518 9.1717 121.1742 54.5122 33.9452 174.0425 14 R 4.8205 8.2218 123.6538 55.7212 31.0811 175.3566 15 Y 4.7204 9.1621 121.3719 58.2419 40.2834 175.3229 *17 T 4.5089 7.8405 115.4726 63.7633 69.9985 174.0436 18 C 4.6838 9.2903 123.3067 56.1242 42.3836 172.9772 19 I 4.9357 8.4033 123.7777 60.0394 38.3501 174.5663 20 Y 4.6956 8.9863 128.4250 57.0759 41.5822 175.1165 21 Q 2.9918 9.2876 126.2586 57.0526 26.3540 174.6938 22 G 3.9696 8.5427 102.7923 45.7522 0.0000 173.9763 23 R 4.7314 7.9945 117.8200 54.0161 33.7104 174.1835 24 L 5.3660 8.1660 119.3701 53.7911 43.2399 176.2607 25 W 5.3298 9.1991 121.1864 54.6186 34.0057 174.5084 26 A 4.4678 9.0374 125.3005 52.1966 19.4218 176.2361 27 F 5.2725 9.0258 124.5021 57.1953 41.2809 174.9910 28 C 5.5508 8.8367 124.0193 55.3190 39.6841 173.7168 29 C 4.5067 9.2164 120.0013 57.1416 42.0735 173.9605 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 C 8.45 4.59 0.00 2.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 4.73 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 9.58 5.44 0.00 2.34 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.59 5.26 0.00 1.89 1.87 0.00 3.23 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 5 I 8.61 4.99 1.62 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.29 0.74 0.00 0.00 6 P 0.00 4.44 0.00 2.16 2.14 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 7 A 7.35 4.54 1.24 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 0.00 0.00 0.00 8 C 8.54 4.58 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.32 4.38 1.85 0.00 0.00 0.83 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 0.66 0.89 0.00 0.00 10 A 8.27 3.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.20 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 12 E 7.85 4.98 0.00 2.03 1.89 0.00 0.00 0.00 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 2.25 0.00 13 R 9.17 4.65 0.00 1.85 1.39 0.00 3.07 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 14 R 8.22 4.82 0.00 1.83 1.72 0.00 3.27 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 15 Y 9.16 4.72 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 *17 T 7.84 4.51 4.31 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 1.39 0.00 0.00 18 C 9.29 4.68 0.00 3.01 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 19 I 8.40 4.94 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.98 0.00 0.00 20 Y 8.99 4.70 0.00 2.79 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.29 2.99 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 22 G 8.54 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.99 4.73 0.00 1.90 1.54 0.00 3.05 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 24 L 8.17 5.37 0.00 1.53 1.65 0.95 0.91 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 25 W 9.20 5.33 0.00 3.29 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.04 4.47 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.03 5.27 0.00 3.15 3.27 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 28 C 8.84 5.55 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.22 4.51 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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.