NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3376 8.2649 123.5816 52.0134 19.9504 175.7144 2 N 4.8636 8.5125 116.5042 49.5851 41.0620 172.8054 3 S 4.8128 8.4731 116.4406 55.5283 67.0294 173.0732 4 F 4.0506 8.8768 122.7674 59.5858 39.1955 170.9523 5 L 3.1574 7.8127 134.6765 54.0482 41.4846 174.7540 *8 L 4.2368 8.3549 120.9634 54.2504 43.5975 177.3362 9 R 4.3442 7.6099 117.0224 54.9095 31.2321 175.7366 10 H 4.2098 8.5455 120.4151 55.9046 30.4870 175.4583 11 S 4.2313 7.9892 119.6839 58.7091 63.4222 173.8688 12 S 4.4377 8.1335 115.9617 57.0739 64.8559 174.3756 13 L 3.8809 8.7047 126.4463 56.5763 41.4176 177.6241 *15 R 4.2287 7.8828 114.5589 56.1757 31.1737 176.5936 *17 C 4.7291 8.0288 113.1459 56.7240 42.2296 174.0471 18 I 4.3022 7.0425 119.3749 60.5519 37.1015 175.9153 *21 I 3.9615 7.5761 119.6630 61.2144 38.4050 174.5240 22 C 5.0057 8.5633 118.9759 53.3256 43.9943 173.4695 23 D 4.6978 8.3183 121.5814 52.1456 40.8881 177.2590 24 F 4.7631 8.4601 120.7699 58.7672 36.9592 174.5044 *27 A 3.8401 7.9994 127.2705 51.5864 20.7102 181.1613 28 K 4.0525 7.5478 115.8260 56.3289 31.2693 179.5186 *30 I 3.9789 7.9902 120.6947 61.4789 38.9300 178.3943 31 F 4.5239 7.4019 117.4757 60.5798 38.9056 176.6858 32 Q 4.1247 8.1088 121.0836 58.0052 29.1586 175.4319 33 N 4.5979 7.7309 119.0078 53.2239 38.8085 174.2917 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 4.86 0.00 2.77 2.71 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 8.47 4.81 0.00 3.98 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 4 F 8.88 4.05 0.00 2.95 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 7.81 3.16 0.00 1.33 1.33 0.58 0.66 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 8.35 4.24 0.00 1.72 1.71 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.61 4.34 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 10 H 8.55 4.21 0.00 3.06 3.20 0.00 5.93 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.99 4.23 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.44 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 3.88 0.00 1.81 1.65 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.88 4.23 0.00 1.84 1.95 0.00 3.32 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 1.51 1.66 0.00 *17 C 8.03 4.73 0.00 3.20 3.20 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 18 I 7.04 4.30 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 1.32 0.60 0.92 0.00 0.00 *21 I 7.58 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 8.56 5.01 0.00 3.02 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 23 D 8.32 4.70 0.00 2.84 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 8.46 4.76 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.84 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 28 K 7.55 4.05 0.00 1.49 1.64 0.00 1.39 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.30 0.87 7.81 *30 I 7.99 3.98 1.61 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.94 0.00 0.00 31 F 7.40 4.52 0.00 3.02 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 32 Q 8.11 4.12 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 33 N 7.73 4.60 0.00 2.62 2.60 0.00 0.00 6.88 7.29 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 * Residues marked with a * may have inaccurate shift predictions.