NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3557 8.1233 123.5826 51.8246 20.4759 179.3232 5 L 3.7752 8.1457 122.3924 58.9602 41.7446 177.2178 6 L 3.8934 8.0781 118.6688 57.6756 42.0933 179.2089 7 R 3.9167 7.8718 118.0941 59.5928 30.2439 178.4222 8 Q 3.9665 8.6603 118.0263 58.8762 28.6818 178.6121 9 A 3.6773 8.7832 122.9635 55.0547 18.2453 178.9161 10 Y 3.9551 7.9717 117.8957 60.9943 38.6857 178.6293 11 S 3.9183 7.8013 113.8887 61.6523 63.0948 176.3358 12 A 4.1033 7.7655 121.8220 54.0414 18.4114 177.8840 13 L 4.4173 7.9371 116.0981 56.6596 43.0975 178.9706 14 F 4.9907 7.5658 114.6134 59.7135 38.8852 176.6601 15 R 3.6264 7.3602 121.5901 58.8028 30.5154 176.9711 16 R 4.0829 7.5767 115.5416 56.2383 31.9541 177.9883 17 T 3.9320 8.6066 120.4982 66.4743 68.5939 176.8906 18 S 4.1508 8.0497 116.0871 61.8830 63.0758 176.6021 19 T 3.9181 7.9514 113.8872 64.0376 68.5402 175.8155 20 F 4.2322 8.7508 124.6198 60.4877 39.3660 177.0398 21 A 4.1634 8.1149 120.1877 55.1952 18.2490 179.6597 22 L 4.0037 7.9521 117.2959 58.1629 41.5552 179.8964 23 T 3.8723 8.1567 116.0797 66.5513 68.3247 176.9579 24 V 3.4589 7.6010 119.9200 65.5637 31.4890 178.3826 25 V 3.5529 7.7477 118.1255 66.0907 31.4864 178.0910 26 L 4.1192 8.0995 118.8742 57.5772 41.4381 179.6304 27 G 3.6858 8.3697 105.7454 47.8428 0.0000 175.5261 28 A 4.0228 8.1271 123.4102 54.7402 18.2917 179.6527 29 V 3.5652 7.8817 116.7628 66.2865 31.5496 178.2757 30 L 3.9925 8.3963 118.7982 57.7349 41.4094 179.0042 31 F 4.0401 8.8031 120.9156 61.4175 39.2740 176.4362 32 E 4.2505 8.7695 119.0504 59.4664 29.5452 178.4684 33 R 3.8401 7.7685 118.1659 59.6119 30.0185 178.3011 34 A 3.9100 7.8836 120.1199 55.1455 18.3566 179.3380 35 F 3.7542 8.6478 120.3788 61.2786 39.3270 177.0453 36 D 4.1976 8.5327 118.8341 57.4345 40.6269 178.4788 37 Q 4.0242 7.8603 118.1113 59.1476 28.7196 179.5748 38 G 3.4714 8.1930 106.4207 47.6594 0.0000 175.5166 39 A 3.7572 7.7310 123.3989 54.9278 18.2838 179.4962 40 D 4.3397 8.5358 117.5268 57.2819 40.8179 178.8033 41 A 3.9780 8.1943 121.4152 55.4371 18.5137 179.5492 42 I 3.6667 8.0256 118.5083 64.5843 36.9273 178.5616 43 F 4.1048 8.0963 120.3306 61.4794 39.6446 176.9661 44 E 4.0082 8.7050 118.6385 59.4373 28.9563 178.8616 45 H 4.1227 8.4166 118.2713 59.0956 30.0871 176.8041 46 L 4.2352 7.5163 117.5147 55.9129 41.6832 177.0387 47 N 4.9212 7.6073 116.4526 52.4101 40.0078 173.7394 48 E 3.8312 8.2489 117.1129 58.3830 29.7077 178.0718 49 G 3.9461 7.6871 109.5689 45.6549 0.0000 174.0477 50 K 4.3868 8.0677 117.8044 56.8787 33.6909 177.0175 51 L 4.4541 7.5763 118.3175 53.3988 42.7896 177.4896 52 W 4.2380 8.7901 129.8415 60.3923 30.2563 178.1942 53 K 3.9499 8.0194 118.7489 59.7305 31.7280 177.9586 54 H 4.4631 7.9022 115.7200 58.6107 28.9765 177.4538 55 I 3.7571 7.8404 121.0195 64.3788 37.2447 178.9456 56 K 3.3139 7.3592 121.3167 59.0066 32.6082 177.2208 57 H 4.0132 7.9313 113.1313 58.6319 28.2873 176.4315 58 K 3.8016 7.5238 118.7429 58.9051 31.6764 177.3953 59 Y 4.5255 7.0424 112.7460 57.7324 39.0758 175.6918 60 E 4.1170 8.0576 121.6513 56.6438 30.0035 177.2028 61 A 4.5089 8.1799 128.4395 51.0314 19.0494 177.7388 62 S 3.9457 8.1817 118.8768 62.8897 63.4986 174.8202 *63 E 4.1354 8.0517 122.0659 55.2549 30.1640 177.8613 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 4 A 8.12 4.36 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 5 L 8.15 3.78 0.00 1.79 1.72 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.08 3.89 0.00 1.71 1.77 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.87 3.92 0.00 1.88 2.11 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 8 Q 8.66 3.97 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 9 A 8.78 3.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 3.96 0.00 3.25 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 11 S 7.80 3.92 0.00 3.92 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 12 A 7.77 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.42 0.00 1.13 1.62 0.73 0.92 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 14 F 7.57 4.99 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 3.63 0.00 1.26 1.65 0.00 3.09 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 16 R 7.58 4.08 0.00 1.90 1.85 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 17 T 8.61 3.93 4.22 0.00 0.00 0.00 0.00 0.00 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 18 S 8.05 4.15 0.00 4.06 4.14 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 19 T 7.95 3.92 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 20 F 8.75 4.23 0.00 3.29 3.25 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 21 A 8.11 4.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.95 4.00 0.00 1.88 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.16 3.87 4.24 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 1.22 0.00 0.00 24 V 7.60 3.46 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 0.95 0.00 0.00 0.71 0.00 0.00 25 V 7.75 3.55 2.21 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 0.98 0.00 0.00 0.96 0.00 0.00 26 L 8.10 4.12 0.00 1.88 1.71 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.02 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 29 V 7.88 3.57 2.28 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 30 L 8.40 3.99 0.00 1.90 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.80 4.04 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 32 E 8.77 4.25 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 33 R 7.77 3.84 0.00 1.88 2.07 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 34 A 7.88 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.65 3.75 0.00 1.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.20 0.00 2.74 2.68 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 37 Q 7.86 4.02 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 38 G 8.19 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.76 0.91 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 0.00 0.00 40 D 8.54 4.34 0.00 2.80 2.75 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 41 A 8.19 3.98 1.38 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 0.00 0.00 42 I 8.03 3.67 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 0.94 0.00 0.00 43 F 8.10 4.10 0.00 3.09 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 44 E 8.71 4.01 0.00 2.07 2.05 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 2.47 2.78 0.00 45 H 8.42 4.12 0.00 3.17 3.48 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.52 4.24 0.00 1.60 1.59 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.61 4.92 0.00 2.36 2.57 0.00 0.00 6.87 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.25 3.83 0.00 1.81 1.79 0.00 0.00 0.00 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 2.16 0.00 49 G 7.69 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.07 4.39 0.00 1.85 1.88 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.53 7.81 51 L 7.58 4.45 0.00 1.45 1.58 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.79 4.24 0.00 3.43 3.11 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 53 K 8.02 3.95 0.00 1.80 1.72 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.56 7.81 54 H 7.90 4.46 0.00 3.30 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.84 3.76 1.73 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 1.75 0.96 1.09 0.00 0.00 56 K 7.36 3.31 0.00 0.79 1.29 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.26 7.81 57 H 7.93 4.01 0.00 3.16 3.38 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.52 3.80 0.00 0.79 1.04 0.00 1.38 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.02 7.81 59 Y 7.04 4.53 0.00 3.05 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 60 E 8.06 4.12 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 61 A 8.18 4.51 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 62 S 8.18 3.95 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 E 8.05 4.14 0.00 1.76 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.