NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1146 8.1245 118.5481 59.6122 37.2459 175.3956 6 E 4.3475 8.5810 120.8649 53.6646 30.8660 172.3688 7 L 4.7324 8.0637 123.2121 52.4841 44.2352 177.1945 8 S 4.3025 8.6858 118.5438 58.6549 64.7387 175.6980 9 L 4.0139 8.4851 122.5066 58.2060 41.3239 179.7566 10 E 3.9773 8.1134 117.9442 59.4904 29.6090 179.2565 11 Q 4.0218 8.1268 118.1246 59.0391 28.7730 178.8608 12 Q 4.0466 8.4376 119.3317 58.8035 28.6737 178.3334 13 F 4.0768 8.8272 122.1123 61.4986 39.3269 177.0098 14 S 4.3007 8.5318 112.7093 61.6515 62.2876 176.2978 15 I 3.8152 7.7730 121.9322 64.5151 36.7516 178.7305 16 R 3.9535 8.1093 118.9226 59.2728 29.7500 179.2695 17 S 4.0893 8.4000 115.2753 61.5437 62.8644 176.3475 18 F 4.1204 8.5437 123.1930 61.5031 39.2081 177.0396 19 A 3.7910 8.0225 119.8515 55.2384 17.8564 179.7726 20 T 3.7292 7.3331 113.6792 67.0264 68.8561 176.6531 21 Q 4.0095 7.6859 119.7586 58.7377 28.4060 178.9312 22 V 3.2312 7.0814 118.7153 65.8314 31.5617 177.8409 23 Q 4.0839 7.6619 116.0675 57.3710 29.8460 176.9639 24 N 4.4765 7.3963 120.1609 51.6685 37.2497 174.0072 *26 S 4.2739 7.4212 116.4411 57.8839 66.1154 174.3756 27 H 4.1989 8.4748 119.7865 59.5966 29.5258 176.6686 28 D 4.2941 8.0340 120.0344 57.4785 40.7337 178.3522 29 Q 4.0400 7.9934 118.0738 59.2429 28.7969 179.3073 30 A 4.0464 8.1663 121.3864 55.0963 18.5375 179.9006 31 K 4.0030 8.2072 117.0156 59.6428 32.1442 179.3184 32 D 4.3975 8.3600 119.3236 57.4066 40.7947 178.6773 33 F 3.9923 8.5118 121.1563 61.0516 39.3683 176.7036 34 L 4.1269 8.2619 119.9990 58.6407 41.9331 179.5625 35 V 3.7242 7.7850 111.7386 64.1180 31.4533 178.5602 36 K 3.9102 8.0880 119.5876 59.3695 31.8104 178.7159 37 L 4.1141 8.2608 120.0002 58.1817 42.1194 177.8710 38 Y 4.2406 8.0603 118.6289 60.7531 39.0335 177.3599 39 E 4.0919 8.2722 120.1178 59.3066 29.6110 179.5208 40 Q 3.7619 7.9174 114.8931 56.6062 28.7257 178.4471 *42 V 3.7820 7.7506 122.0613 62.9157 33.5219 177.7561 43 V 3.5913 7.6846 118.9158 65.8444 31.2435 178.0590 44 R 3.8602 8.1714 118.7201 59.2717 29.8804 178.0668 45 E 3.9956 8.1865 118.5436 59.2480 29.8132 178.4923 46 A 3.9970 7.9402 120.5157 55.3639 18.5363 179.7509 47 T 3.7560 7.9340 114.2091 67.0109 68.5219 176.4729 48 Y 4.1243 8.0880 118.6521 61.2700 37.7488 178.6586 49 Q 4.0653 8.3884 119.0211 58.9820 28.5470 178.7457 50 E 3.9390 7.9172 119.1356 59.2819 29.8031 178.4961 51 L 4.1208 7.6297 117.6047 57.7143 41.7439 179.0441 52 L 4.3346 7.9810 119.8523 56.1586 41.9278 178.0742 53 K 4.3768 7.3539 122.6427 55.1527 32.6675 182.6623 *54 H 4.4777 8.2813 112.7849 56.2152 28.7944 172.9566 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 5 I 8.12 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.91 0.00 0.00 6 E 8.58 4.35 0.00 2.06 1.75 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 2.19 1.96 0.00 7 L 8.06 4.73 0.00 1.64 1.63 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.69 4.30 0.00 4.06 4.02 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 9 L 8.49 4.01 0.00 1.71 1.82 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.11 3.98 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 11 Q 8.13 4.02 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 12 Q 8.44 4.05 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 13 F 8.83 4.08 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.30 0.00 4.10 4.09 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 0.00 0.00 0.00 0.00 15 I 7.77 3.82 2.07 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 1.55 1.13 0.97 0.00 0.00 16 R 8.11 3.95 0.00 1.89 1.90 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 17 S 8.40 4.09 0.00 4.15 4.02 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 18 F 8.54 4.12 0.00 3.19 3.29 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 0.00 0.00 0.00 0.00 19 A 8.02 3.79 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 20 T 7.33 3.73 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 21 Q 7.69 4.01 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 22 V 7.08 3.23 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.15 0.00 0.00 23 Q 7.66 4.08 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 24 N 7.40 4.48 0.00 2.80 2.74 0.00 0.00 6.94 7.66 0.00 0.00 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 S 7.42 4.27 0.00 4.09 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.47 4.20 0.00 3.21 3.32 0.00 5.69 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 28 D 8.03 4.29 0.00 2.73 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 29 Q 7.99 4.04 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 30 A 8.17 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.21 4.00 0.00 1.83 1.88 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.45 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.66 7.81 32 D 8.36 4.40 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.51 3.99 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.26 4.13 0.00 2.24 1.88 1.03 0.91 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 35 V 7.79 3.72 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 0.75 0.00 0.00 1.04 0.00 0.00 36 K 8.09 3.91 0.00 1.76 1.80 0.00 1.46 0.00 0.00 1.20 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.33 7.81 37 L 8.26 4.11 0.00 1.95 1.87 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.06 4.24 0.00 3.06 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 39 E 8.27 4.09 0.00 2.15 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 2.29 2.35 0.00 40 Q 7.92 3.76 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.16 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 *42 V 7.75 3.78 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.35 0.00 0.00 43 V 7.68 3.59 2.03 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 0.90 0.00 0.00 0.92 0.00 0.00 44 R 8.17 3.86 0.00 2.05 1.93 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 45 E 8.19 4.00 0.00 2.07 1.90 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 2.38 2.37 0.00 46 A 7.94 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.93 3.76 4.26 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 1.02 0.00 0.00 48 Y 8.09 4.12 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 4.07 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 50 E 7.92 3.94 0.00 1.97 2.13 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 2.30 2.38 0.00 51 L 7.63 4.12 0.00 1.96 1.77 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.98 4.33 0.00 1.81 1.74 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.35 4.38 0.00 1.73 1.61 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *54 H 8.28 4.48 0.00 2.87 2.77 0.00 7.20 0.00 0.00 0.00 0.00 6.91 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.