NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3413 8.2649 123.5823 52.0006 19.9504 175.7661 2 N 4.8848 8.5111 116.6528 49.5737 41.1028 172.7390 3 S 4.7887 8.4373 116.0507 55.5546 67.1282 172.9828 4 F 4.0792 8.8568 122.7990 59.5484 39.1242 170.9506 5 L 3.2764 7.8433 135.0000 54.0342 41.4908 174.8128 *8 L 4.2538 8.3573 121.1626 54.3335 43.6173 177.5662 9 R 4.1924 7.6695 117.0996 55.3564 30.8669 175.7923 10 H 4.1352 8.6040 120.8055 55.9250 30.4563 175.3736 11 S 4.1977 8.0445 119.8470 58.8439 63.2842 174.0595 12 S 4.3777 8.2243 116.3497 57.1207 64.1948 173.9587 13 L 3.7899 8.7904 127.8307 56.7177 41.7700 177.7678 *15 R 4.1715 7.8758 114.4747 56.2343 31.2235 176.5483 *17 C 4.7423 8.0237 113.2835 56.9087 42.1759 174.0737 18 I 4.2718 7.1150 120.2793 60.7465 37.1226 175.8720 *21 I 3.9573 7.6098 119.7841 61.2163 38.3412 174.4194 22 C 4.9816 8.5832 119.1055 53.3527 43.8716 173.4500 23 D 4.7091 8.3228 121.7639 52.0883 40.8207 177.1360 24 F 4.7514 8.4730 121.1608 58.7789 37.0243 174.4854 *27 A 3.8564 8.0244 127.1392 51.4998 20.7988 180.8388 28 K 4.1881 7.6132 117.1985 56.0581 31.1906 179.5139 *30 I 4.0278 7.9139 120.3093 61.4906 39.0159 177.6109 31 F 4.5582 7.5205 117.4814 59.2940 39.1280 175.6861 32 Q 3.3749 7.8650 117.6326 57.3033 26.6686 173.2736 33 N 4.5802 8.0976 119.0408 53.7338 39.1588 173.6193 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 1.27 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 2 N 8.51 4.88 0.00 2.78 2.72 0.00 0.00 6.72 6.68 0.00 0.00 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 S 8.44 4.79 0.00 3.97 3.83 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 F 8.86 4.08 0.00 2.96 3.10 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 5 L 7.84 3.28 0.00 1.40 1.37 0.57 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.36 4.25 0.00 1.67 1.71 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.67 4.19 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 10 H 8.60 4.14 0.00 3.11 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.04 4.20 0.00 3.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.38 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 3.79 0.00 1.81 1.67 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.88 4.17 0.00 1.84 1.95 0.00 3.32 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 *17 C 8.02 4.74 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.12 4.27 1.89 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 1.53 0.85 0.92 0.00 0.00 *21 I 7.61 3.96 1.88 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 0.49 0.92 0.00 0.00 22 C 8.58 4.98 0.00 3.03 3.03 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 23 D 8.32 4.71 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.75 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.86 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 4.19 0.00 1.54 1.65 0.00 1.17 0.00 0.00 1.32 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.79 7.81 *30 I 7.91 4.03 1.59 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.32 0.96 0.00 0.00 31 F 7.52 4.56 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.87 3.37 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 N 8.10 4.58 0.00 2.73 2.71 0.00 0.00 7.11 7.56 0.00 0.00 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.