NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9034 8.2085 109.7384 45.1388 0.0000 176.7303 -3 A 3.8400 8.7765 125.4425 54.4766 18.6328 176.5350 -2 M 4.4668 8.1759 114.2250 55.3578 33.3679 176.6111 -1 G 3.6723 8.0558 109.7734 48.1691 0.0000 174.9683 0 S 4.4404 7.9738 111.8211 58.5688 63.8104 173.3920 1 M 4.4512 7.7268 121.7048 53.9645 33.4193 176.0228 2 E 4.0764 8.5616 124.8077 56.3348 31.5788 177.9775 3 R 3.8657 8.7019 122.4949 59.9478 30.1030 178.8422 4 A 4.0189 7.9313 119.6683 55.2019 18.3196 179.6509 5 S 4.0096 7.9569 113.3429 61.5193 62.8688 176.6051 6 L 3.7698 8.0063 121.7736 57.8738 41.3842 179.7004 7 I 3.6852 7.7277 119.6956 64.2258 37.0015 178.1822 8 Q 3.8814 8.1015 120.4493 59.3409 28.8833 178.7642 9 K 3.7916 8.0616 119.2744 58.9104 31.8541 179.2222 10 A 4.2528 8.0851 121.6245 55.2217 18.4111 179.8443 11 K 3.9743 8.0536 116.9608 59.4549 32.1171 179.5914 12 L 3.9499 7.9388 119.1003 57.8109 41.4948 179.4151 13 A 4.0133 8.4973 121.1045 55.0512 18.2888 179.2403 14 E 3.6799 8.3337 117.8133 59.5710 29.5089 179.0757 15 Q 3.9988 7.7696 116.3771 58.7527 28.8945 177.9806 16 A 4.1618 7.8722 118.6758 51.5137 19.0777 176.7281 17 E 2.9393 7.5450 115.8375 57.3860 28.1389 176.9010 18 R 4.3653 7.3651 117.2094 55.2917 27.7581 175.8145 19 Y 4.2335 7.5386 119.8058 60.6320 38.5639 177.3310 20 E 3.9716 8.2069 119.3949 59.4272 29.5477 178.8266 21 D 3.9844 7.9300 118.4147 57.3170 40.8974 178.0956 22 M 4.1509 8.1759 118.5137 58.9088 32.1386 178.1809 23 A 4.0111 8.3407 120.6595 55.0966 18.5661 179.4559 24 A 3.8860 7.9852 119.2877 55.2421 18.3902 179.9025 25 F 4.4564 8.1430 116.5646 61.1971 38.9020 177.9101 26 M 4.1643 8.4254 118.4041 57.9922 31.6800 178.6584 27 K 4.0007 8.5615 120.5334 59.4979 32.1518 178.9233 28 G 3.6991 8.0141 104.4168 47.8444 0.0000 175.1325 29 A 4.1668 8.1528 123.2595 54.8441 18.4563 179.7815 30 V 3.5701 8.0382 116.9754 66.2684 31.4473 177.6481 31 E 4.2403 8.1460 115.2430 57.6962 29.3646 178.7367 32 K 4.1409 7.6986 118.7758 57.8442 32.2703 177.9746 33 G 3.8633 8.2179 107.9156 45.3514 0.0000 172.9916 *255 E 4.2875 7.4968 116.8695 55.8431 30.6214 175.5227 256 E 4.1626 8.5435 120.4198 56.6005 30.2229 176.4461 257 L 4.9550 8.0625 120.9716 53.2554 44.7200 176.2387 258 S 4.6193 8.7707 121.0759 58.1303 62.1860 175.7320 *260 E 4.2486 9.0930 116.9378 56.1109 30.7756 175.9803 261 E 4.1261 8.0939 117.0270 59.2128 29.7817 177.1205 262 R 4.1083 8.2160 121.8682 56.5820 30.0359 176.2839 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 G 8.21 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 0.00 0.00 0.00 -3 A 8.78 3.84 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 -2 M 8.18 4.47 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.51 0.00 -1 G 8.06 3.67 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 0.00 0.00 0.00 0 S 7.97 4.44 0.00 4.00 3.99 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 1 M 7.73 4.45 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 2 E 8.56 4.08 0.00 1.99 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 2.39 2.31 0.00 3 R 8.70 3.87 0.00 1.87 1.94 0.00 3.18 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 1.70 1.73 0.00 4 A 7.93 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.01 0.00 3.99 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 6 L 8.01 3.77 0.00 1.87 1.93 1.04 0.81 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 7 I 7.73 3.69 1.97 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 1.42 0.64 0.90 0.00 0.00 8 Q 8.10 3.88 0.00 2.15 2.16 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 2.28 2.36 0.00 9 K 8.06 3.79 0.00 0.79 0.74 0.00 1.21 0.00 0.00 1.23 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.27 7.81 10 A 8.09 4.25 1.47 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 11 K 8.05 3.97 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 12 L 7.94 3.95 0.00 1.84 1.70 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.50 4.01 1.56 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 0.00 0.00 14 E 8.33 3.68 0.00 2.12 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 2.38 2.58 0.00 15 Q 7.77 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 16 A 7.87 4.16 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 17 E 7.55 2.94 0.00 2.04 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 0.00 2.26 2.20 0.00 18 R 7.37 4.37 0.00 1.68 1.78 0.00 3.23 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 19 Y 7.54 4.23 0.00 3.06 2.98 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 0.00 0.00 0.00 0.00 20 E 8.21 3.97 0.00 1.98 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 2.41 2.43 0.00 21 D 7.93 3.98 0.00 2.77 2.40 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 22 M 8.18 4.15 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.70 0.00 23 A 8.34 4.01 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 24 A 7.99 3.89 1.15 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 0.00 0.00 25 F 8.14 4.46 0.00 3.23 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 26 M 8.43 4.16 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.93 0.00 27 K 8.56 4.00 0.00 1.86 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 28 G 8.01 3.70 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 0.00 0.00 0.00 29 A 8.15 4.17 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 30 V 8.04 3.57 2.23 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 1.03 0.00 0.00 0.96 0.00 0.00 31 E 8.15 4.24 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 32 K 7.70 4.14 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.79 1.61 7.81 33 G 8.22 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 0.00 0.00 0.00 *255 E 7.50 4.29 0.00 2.00 1.94 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 2.22 2.25 0.00 256 E 8.54 4.16 0.00 1.96 1.89 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 2.32 2.34 0.00 257 L 8.06 4.95 0.00 1.63 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 258 S 8.77 4.62 0.00 3.98 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 *260 E 9.09 4.25 0.00 1.98 2.06 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 2.20 2.35 0.00 261 E 8.09 4.13 0.00 2.26 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 0.00 2.35 2.29 0.00 262 R 8.22 4.11 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.