NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4862 8.1814 115.4391 59.0942 65.3263 174.2515 2 G 3.6069 8.2726 110.3599 46.9209 0.0000 173.7078 3 G 3.8875 9.1177 114.6284 45.7413 0.0000 170.2565 4 Y 4.6730 7.8169 121.4724 55.5327 40.2431 174.3591 5 F 4.5892 7.6610 128.3426 56.0653 41.2350 176.0667 6 D 4.2188 7.1309 126.8011 53.6345 39.0895 176.1717 7 A 4.1938 7.6632 126.0111 53.8562 18.6252 178.4808 8 H 4.1146 8.1568 116.1308 59.1705 30.1632 176.6487 9 A 4.1112 8.2801 121.8483 54.9408 18.2251 179.0461 10 L 4.3045 7.3819 117.0385 58.0295 42.5758 180.4741 11 A 4.2483 7.9296 120.8498 52.1815 18.0985 178.7026 *13 D 4.6003 8.1842 121.8194 55.9042 43.0632 177.5032 14 Y 3.6772 8.0557 116.7623 59.9551 37.6614 177.8823 15 R 3.9875 8.0533 120.3306 59.4988 30.3242 178.4513 16 S 4.1727 8.0594 113.5566 61.3153 63.0170 176.3272 17 L 4.1022 7.5519 122.6084 57.5875 41.2725 179.6231 18 G 3.6820 8.5259 106.0438 47.5806 0.0000 175.5501 19 F 4.0031 8.6048 123.2198 61.3309 39.4390 177.5326 20 R 4.1995 8.4940 117.2305 58.6582 29.8022 178.6279 21 E 3.9353 8.1350 119.9268 59.2901 29.5277 178.3344 22 C 4.0377 7.8574 118.6498 62.1623 31.5861 175.1862 23 L 3.8318 7.7918 121.7993 58.1276 41.6685 178.8569 24 A 4.0081 8.3364 121.0415 55.2000 18.2958 179.2730 25 E 3.9299 8.1556 117.8776 59.0833 29.6044 179.2241 26 V 3.5685 8.0232 118.6110 65.9358 31.6382 177.8684 27 A 4.0006 7.9895 120.5100 55.1034 18.2416 179.5982 28 R 3.8045 8.1627 117.2019 59.6536 30.2011 178.0078 29 Y 3.9248 8.4296 119.6864 60.8549 38.8505 178.1713 30 L 3.9301 8.2373 119.9136 57.6274 41.5389 179.6086 31 S 4.4075 7.9619 114.3818 60.9839 62.2434 176.2291 32 I 3.7849 7.9073 121.1376 63.8529 37.1558 177.5835 33 I 3.7759 7.2320 119.1099 64.0338 37.1105 177.2202 34 E 3.9845 7.5868 116.2303 56.3057 29.6705 176.8790 35 G 3.8941 7.7502 106.2445 45.9724 0.0000 173.4685 36 L 4.3124 8.1838 121.3816 52.8150 42.1286 177.0759 37 D 4.8352 8.4033 123.7462 52.2844 40.5106 176.7874 38 A 4.0671 8.5058 121.2338 54.7235 18.2147 178.3539 39 S 4.5897 8.1775 110.0009 58.2409 63.8966 174.6272 40 D 4.3793 8.1176 121.9047 53.6706 41.9522 174.3925 41 P 4.2358 0.0000 0.0000 65.8348 31.4190 178.4160 42 L 3.9215 7.9162 118.2611 58.0896 42.1356 178.6259 43 R 3.8834 8.2761 118.6567 59.5633 30.0310 178.6794 44 V 3.6259 7.8657 117.8897 65.9803 31.5517 178.2380 45 R 3.9326 8.2457 118.0506 59.0976 29.9457 178.8412 46 L 3.9544 8.2569 120.4431 58.2676 42.1821 179.1642 47 V 3.6652 7.8976 118.4666 66.0130 31.3776 178.1337 48 S 4.1886 8.2617 114.1497 61.5316 62.7542 175.9026 49 H 4.1690 8.4002 121.8649 59.2228 29.6478 177.2785 50 L 4.1977 8.1236 120.7356 57.8172 41.4032 179.3070 51 N 4.4381 8.3709 116.5044 56.5896 38.5777 177.3108 52 N 4.5612 8.5449 119.5521 55.6802 38.4153 176.9565 53 Y 3.8596 8.3376 121.1235 60.5973 38.7193 177.9702 54 A 3.5363 7.8167 120.5418 54.9671 18.6164 179.3941 55 S 4.1370 8.1409 112.8424 61.7085 62.7827 176.6937 56 Q 3.8863 7.7407 120.6843 58.5814 28.5123 177.3268 57 R 4.0702 7.2323 122.3507 56.3360 30.2901 176.2776 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 S 8.18 4.49 0.00 4.07 4.11 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 2 G 8.27 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.12 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 7.82 4.67 0.00 2.96 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.66 4.59 0.00 2.84 2.73 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 6 D 7.13 4.22 0.00 2.56 2.10 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 7 A 7.66 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.11 0.00 3.19 3.54 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.28 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.38 4.30 0.00 1.85 2.05 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.93 4.25 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.60 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.06 3.68 0.00 3.36 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 15 R 8.05 3.99 0.00 1.94 1.97 0.00 3.25 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 16 S 8.06 4.17 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.10 0.00 1.83 1.71 0.41 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.53 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.60 4.00 0.00 3.36 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.20 0.00 2.08 2.03 0.00 3.23 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 21 E 8.13 3.94 0.00 2.20 2.12 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 2.31 2.33 0.00 22 C 7.86 4.04 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.79 3.83 0.00 1.75 1.87 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.34 4.01 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 25 E 8.16 3.93 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 26 V 8.02 3.57 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 27 A 7.99 4.00 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 28 R 8.16 3.80 0.00 1.92 2.12 0.00 3.13 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 1.66 1.65 0.00 29 Y 8.43 3.92 0.00 3.16 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 30 L 8.24 3.93 0.00 1.76 1.72 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.96 4.41 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.78 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.87 0.00 0.00 33 I 7.23 3.78 0.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.66 0.00 0.00 34 E 7.59 3.98 0.00 2.04 1.93 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 1.89 2.31 0.00 35 G 7.75 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 4.31 0.00 1.72 1.61 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.40 4.84 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.51 4.07 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 39 S 8.18 4.59 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.12 4.38 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.24 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 42 L 7.92 3.92 0.00 1.76 1.84 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.28 3.88 0.00 1.94 2.07 0.00 3.24 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 44 V 7.87 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 45 R 8.25 3.93 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 46 L 8.26 3.95 0.00 1.74 1.77 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.90 3.67 2.18 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 1.03 0.00 0.00 0.97 0.00 0.00 48 S 8.26 4.19 0.00 4.14 4.17 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 49 H 8.40 4.17 0.00 3.42 3.61 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.12 4.20 0.00 2.02 1.90 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.37 4.44 0.00 2.99 2.90 0.00 0.00 7.01 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.54 4.56 0.00 2.86 2.88 0.00 0.00 6.19 7.24 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 53 Y 8.34 3.86 0.00 3.10 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 54 A 7.82 3.54 1.18 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 0.00 0.00 0.00 55 S 8.14 4.14 0.00 4.02 4.11 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 56 Q 7.74 3.89 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 57 R 7.23 4.07 0.00 1.57 1.64 0.00 2.99 0.00 0.00 2.74 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.00 * Residues marked with a * may have inaccurate shift predictions.