NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7689 8.4449 117.8087 55.7317 30.4541 173.2879 7 H 4.4315 7.9509 116.3122 54.4932 29.6943 173.5109 8 H 4.1333 9.3567 122.2609 56.5773 31.1544 174.1160 *50 E 4.6263 8.6091 123.9783 55.4285 29.5696 173.4598 51 P 4.3762 0.0000 0.0000 62.6234 32.1708 177.5134 52 G 4.1148 8.5512 109.1608 45.9654 0.0000 174.1998 53 D 4.7986 7.6241 122.3175 52.3893 41.5156 176.9046 54 L 4.0755 8.5447 116.1904 58.2634 42.1904 179.4113 55 R 3.9693 8.2744 117.9214 59.3057 30.2318 178.1468 56 H 4.0035 8.0565 116.9802 59.0510 29.7433 175.2924 57 D 4.7647 8.0328 116.1517 53.8485 40.9004 175.8751 58 L 4.8722 7.6027 119.3758 52.6614 44.5858 176.4870 59 N 4.7470 9.0209 120.0451 51.8736 40.0657 175.9912 60 Q 3.9584 8.5041 120.3555 59.4104 28.8940 177.9562 61 Q 3.9785 7.9705 120.0653 58.9364 29.2683 177.5784 62 E 4.0111 8.1048 119.2225 59.4963 29.4916 179.4073 63 R 3.9784 8.2683 117.9450 58.9554 30.1247 178.7016 64 A 3.9998 8.2438 120.8776 55.6410 18.3296 179.7578 65 T 3.7904 8.0292 113.8935 66.9613 68.6149 176.8836 66 L 4.2634 8.1796 121.0272 57.8502 41.5941 179.7636 67 S 4.1875 8.4903 114.5831 61.5680 62.8009 176.8779 68 S 4.0105 8.0516 118.6967 61.3449 62.4873 176.1983 69 N 3.7295 8.3082 119.6183 56.1493 38.2676 177.6766 70 V 3.5120 7.5524 119.4510 65.8403 31.4349 177.8582 71 Q 3.8271 7.8407 118.2725 59.1101 28.9546 177.7659 72 R 3.8912 7.6130 118.4331 59.7303 30.3861 177.8006 73 F 4.6601 7.7426 117.4788 60.8907 38.3361 177.6004 74 F 3.8842 8.0403 116.2483 58.9214 38.4906 175.9941 *76 I 3.9836 7.5342 108.1443 59.8668 38.7246 176.2857 77 G 3.8382 7.8937 107.7951 45.8954 0.0000 173.8500 78 H 4.5155 7.8648 116.5456 56.1349 29.7373 176.9860 79 G 3.6453 8.6534 110.2427 44.6362 0.0000 171.9431 80 S 4.5055 8.3132 113.2225 56.4965 65.5470 173.5571 81 L 5.2411 8.7863 130.0072 53.9956 42.9718 175.2257 82 T 4.8265 9.0840 116.3523 59.5061 72.7078 177.4816 83 A 4.6350 8.7493 126.2983 52.0888 19.4108 181.3645 84 D 4.9975 9.1688 121.8679 57.5199 40.4114 177.1920 85 A 3.6625 8.7855 129.1849 52.0273 16.2794 174.9582 86 G 3.7083 8.5927 110.8010 48.8236 0.0000 172.5879 87 G 4.0174 8.5636 114.2473 43.4852 0.0000 171.1148 88 L 5.3376 8.3043 121.2566 52.3817 45.1086 176.2818 89 T 4.7547 9.1462 118.7829 61.9134 71.8655 172.2457 90 Y 5.3884 8.8079 126.7529 56.1173 41.4843 174.5472 91 T 4.6184 7.8334 120.0052 60.2913 71.1683 173.0074 92 V 4.5915 8.1949 126.6250 60.0436 34.4833 174.4160 93 S 5.0555 8.1871 118.6963 56.7434 65.6033 173.1956 94 W 4.5478 8.0623 118.2612 55.9117 29.9971 173.6885 95 V 3.9112 8.3844 119.8515 60.8135 31.6737 174.1705 96 P 4.8833 0.0000 0.0000 61.5529 33.4775 175.9408 97 T 4.0842 8.3180 108.2556 61.8904 70.3027 174.5311 98 K 3.8534 8.5865 122.2978 59.6618 31.9453 178.5843 99 Q 3.9173 7.9987 118.2842 59.3933 29.3566 177.9039 100 I 3.8250 7.4292 119.8281 64.3507 37.0228 177.8574 101 Q 3.9035 8.2506 120.6428 59.7139 28.5388 179.3763 102 R 3.9390 7.7685 117.2452 59.1732 30.1609 179.0022 103 K 4.1663 7.7860 116.9679 58.4185 32.0304 178.2171 104 V 4.2612 7.1367 109.8095 60.7522 32.1819 175.6342 105 A 4.1887 7.6465 128.5757 52.4293 19.1602 176.3070 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 6 H 8.44 4.77 0.00 3.14 3.34 0.00 5.69 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 7 H 7.95 4.43 0.00 3.26 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.36 4.13 0.00 3.24 3.22 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.61 4.63 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 51 P 0.00 4.38 0.00 2.39 2.26 0.00 3.68 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 2.10 2.02 0.00 52 G 8.55 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 0.00 0.00 0.00 53 D 7.62 4.80 0.00 2.92 2.85 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 0.00 0.00 0.00 54 L 8.54 4.08 0.00 1.72 1.75 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.27 3.97 0.00 2.12 2.02 0.00 3.20 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 56 H 8.06 4.00 0.00 3.35 3.44 0.00 5.74 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 57 D 8.03 4.76 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.60 4.87 0.00 1.74 1.56 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.02 4.75 0.00 2.92 2.96 0.00 0.00 6.83 7.20 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 60 Q 8.50 3.96 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 61 Q 7.97 3.98 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 62 E 8.10 4.01 0.00 2.22 2.02 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 2.42 2.42 0.00 63 R 8.27 3.98 0.00 2.02 2.01 0.00 3.32 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 64 A 8.24 4.00 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 65 T 8.03 3.79 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 66 L 8.18 4.26 0.00 1.99 2.06 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.49 4.19 0.00 4.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.05 4.01 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.31 3.73 0.00 2.84 2.30 0.00 0.00 6.69 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 70 V 7.55 3.51 2.20 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 1.15 0.00 0.00 0.85 0.00 0.00 71 Q 7.84 3.83 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 72 R 7.61 3.89 0.00 1.63 1.74 0.00 3.34 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 73 F 7.74 4.66 0.00 3.23 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 74 F 8.04 3.88 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 I 7.53 3.98 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.62 0.91 0.00 0.00 77 G 7.89 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 0.00 0.00 0.00 78 H 7.86 4.52 0.00 3.37 3.12 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.31 4.51 0.00 3.79 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.79 5.24 0.00 1.77 1.58 1.32 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 T 9.08 4.83 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 1.22 0.00 0.00 83 A 8.75 4.64 1.08 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 0.00 0.00 84 D 9.17 5.00 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.79 3.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.59 3.71 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 0.00 0.00 0.00 87 G 8.56 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 0.00 0.00 0.00 88 L 8.30 5.34 0.00 1.56 1.65 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.15 4.75 4.29 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 1.25 0.00 0.00 90 Y 8.81 5.39 0.00 3.14 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 91 T 7.83 4.62 4.15 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 1.08 0.00 0.00 92 V 8.19 4.59 1.84 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 0.87 0.00 0.00 0.72 0.00 0.00 93 S 8.19 5.06 0.00 3.84 3.77 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 94 W 8.06 4.55 0.00 3.10 2.56 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 0.00 0.00 0.00 0.00 95 V 8.38 3.91 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 0.83 0.00 0.00 0.90 0.00 0.00 96 P 0.00 4.88 0.00 2.26 1.99 0.00 3.69 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 97 T 8.32 4.08 4.28 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 1.28 0.00 0.00 98 K 8.59 3.85 0.00 1.90 1.86 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.57 7.81 99 Q 8.00 3.92 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 100 I 7.43 3.82 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.91 0.00 0.00 101 Q 8.25 3.90 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 102 R 7.77 3.94 0.00 1.97 1.97 0.00 3.22 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 103 K 7.79 4.17 0.00 1.90 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.47 1.48 7.81 104 V 7.14 4.26 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 0.68 0.00 0.00 0.93 0.00 0.00 105 A 7.65 4.19 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.