NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3590 8.3349 115.2388 58.4264 63.3733 173.6621 8 Y 3.9457 8.2968 126.4777 57.1218 38.6029 174.6676 9 S 4.3984 8.1440 118.7327 57.5596 63.6172 173.2981 10 Y 5.0984 7.9527 122.6156 56.2698 40.5265 176.4868 11 D 4.6294 8.5085 122.7594 52.3456 39.7128 174.5767 12 A 4.4189 7.2811 123.8091 49.6248 22.7176 174.5476 13 P 4.4281 0.0000 0.0000 63.1794 31.7303 177.6041 14 S 4.5995 8.2329 112.2464 58.6227 65.3520 173.6097 15 D 4.6116 7.8817 121.5326 53.4125 41.4793 175.9807 16 F 4.0599 8.8162 125.4901 58.6387 39.8877 174.2457 17 I 3.9713 6.6146 126.9686 59.0770 39.6798 175.1639 18 N 4.3838 7.9678 122.7644 52.3572 37.8787 175.4141 19 F 4.3476 8.3342 124.2512 58.7272 39.3492 176.6571 20 S 4.5403 8.4917 115.7917 59.5094 64.0021 175.3732 21 S 4.3041 7.9401 116.2045 60.1640 63.9316 174.6663 *22 L 4.0949 7.6158 122.1705 53.2253 42.2863 178.7417 *30 N 4.5753 8.0588 116.5137 52.3177 37.4800 174.3023 31 I 3.8270 8.3213 127.4628 64.9343 36.9910 176.6051 32 D 5.0171 7.9903 115.9734 54.5747 39.6341 177.6523 33 S 4.4421 7.9637 116.0143 60.2248 62.8917 175.5916 34 W 4.1589 8.0561 131.6670 60.6051 30.2098 177.8037 35 F 3.8907 8.2422 119.3322 61.2918 38.5176 178.0652 36 E 4.0500 8.2861 117.3917 61.1828 29.8045 180.7739 37 E 4.0998 8.4797 119.5002 58.8761 29.2036 179.1292 38 K 3.8875 7.3583 118.3275 58.6110 32.2998 178.3648 39 A 4.0590 7.5666 120.6664 54.7728 18.4068 178.7283 40 N 4.4673 8.1465 113.3873 53.7441 39.2703 175.7847 41 L 4.0447 6.7649 121.1207 55.1488 42.7425 175.7864 42 E 4.7674 8.8965 122.9421 53.9102 32.4112 175.9077 43 N 3.9045 8.5020 116.8378 53.9489 36.7144 174.4600 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 7 S 8.33 4.36 0.00 3.78 3.75 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 8 Y 8.30 3.95 0.00 2.87 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 9 S 8.14 4.40 0.00 3.98 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 10 Y 7.95 5.10 0.00 2.94 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 11 D 8.51 4.63 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.42 1.14 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 0.00 0.00 13 P 0.00 4.43 0.00 2.01 1.94 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 14 S 8.23 4.60 0.00 3.92 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 15 D 7.88 4.61 0.00 2.64 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 16 F 8.82 4.06 0.00 2.98 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 17 I 6.61 3.97 0.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 0.19 0.00 0.00 18 N 7.97 4.38 0.00 2.72 2.64 0.00 0.00 7.18 7.71 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 19 F 8.33 4.35 0.00 3.04 3.02 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 20 S 8.49 4.54 0.00 4.02 4.03 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 0.00 0.00 0.00 0.00 21 S 7.94 4.30 0.00 4.10 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 *22 L 7.62 4.09 0.00 1.43 1.52 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *30 N 8.06 4.58 0.00 3.00 3.10 0.00 0.00 6.31 7.68 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 31 I 8.32 3.83 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.84 0.00 0.00 32 D 7.99 5.02 0.00 3.10 2.96 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 0.00 0.00 0.00 33 S 7.96 4.44 0.00 4.01 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 34 W 8.06 4.16 0.00 3.32 2.86 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 35 F 8.24 3.89 0.00 3.26 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 36 E 8.29 4.05 0.00 1.97 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 2.31 1.97 0.00 37 E 8.48 4.10 0.00 1.97 1.97 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 2.32 2.47 0.00 38 K 7.36 3.89 0.00 0.99 1.44 0.00 0.64 0.00 0.00 0.78 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.10 7.81 39 A 7.57 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.47 0.00 2.66 2.86 0.00 0.00 6.98 8.07 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 41 L 6.76 4.04 0.00 1.77 1.51 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.90 4.77 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 43 N 8.50 3.90 0.00 2.89 2.81 0.00 0.00 5.92 7.56 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 * Residues marked with a * may have inaccurate shift predictions.