NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1638 8.3101 120.1363 55.8279 32.3806 173.0180 3 A 3.8098 8.2679 124.0157 51.9831 18.4875 176.3315 4 R 4.5130 8.3651 117.8573 55.9680 32.6431 170.7068 5 I 4.7505 7.4619 122.3593 59.1630 41.7016 172.7005 6 I 4.6605 8.4390 121.6140 58.9206 40.6742 175.4581 7 R 4.5766 7.9061 124.3682 54.7691 28.9430 174.2371 8 Y 4.0348 7.8392 118.7346 57.9142 39.2882 176.7526 9 F 4.3216 8.5573 125.2690 56.7424 40.2062 173.4012 10 Y 3.7723 9.3349 124.6139 57.1589 39.1959 178.5520 11 N 4.1985 8.5344 117.3470 53.1925 39.8981 173.4761 12 A 3.9513 8.8745 122.1225 52.5100 17.0047 178.3309 13 K 3.9520 9.9326 114.5886 57.8378 30.6821 174.3655 14 D 4.5651 8.0737 112.7994 54.1760 39.5487 174.1082 15 G 3.9239 7.6364 112.5938 46.7516 0.0000 176.8007 *18 Q 4.2271 8.4097 115.7358 55.8387 28.7617 172.7357 19 T 3.9339 7.4134 115.7332 61.5660 71.1767 175.6871 20 F 4.7248 7.7394 124.7066 55.6095 40.4553 173.1019 21 V 3.9848 7.2603 115.7403 59.1791 32.7102 175.9854 22 Y 4.8417 7.6524 119.5879 55.8389 39.6613 173.6049 23 G 3.8361 8.4892 110.1451 47.2442 0.0000 172.5667 24 G 4.1113 8.5897 116.8129 45.1137 0.0000 172.4711 25 C 4.3072 7.8881 122.6974 59.2027 31.6646 172.8621 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 2 K 8.31 4.16 0.00 1.78 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 A 8.27 3.81 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 4 R 8.37 4.51 0.00 1.72 1.82 0.00 3.32 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 5 I 7.46 4.75 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 1.02 0.00 0.00 6 I 8.44 4.66 1.67 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.86 0.00 0.00 7 R 7.91 4.58 0.00 2.24 2.04 0.00 3.36 0.00 0.00 3.70 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 8 Y 7.84 4.03 0.00 2.91 2.80 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 0.00 0.00 0.00 9 F 8.56 4.32 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 9.33 3.77 0.00 3.09 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 11 N 8.53 4.20 0.00 2.93 2.95 0.00 0.00 5.87 7.09 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 12 A 8.87 3.95 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 13 K 9.93 3.95 0.00 2.03 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.43 7.81 14 D 8.07 4.57 0.00 2.81 2.81 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 0.00 0.00 0.00 15 G 7.64 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 *18 Q 8.41 4.23 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 19 T 7.41 3.93 3.78 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 -0.22 0.00 0.00 20 F 7.74 4.72 0.00 2.90 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 21 V 7.26 3.98 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 0.36 0.00 0.00 0.78 0.00 0.00 22 Y 7.65 4.84 0.00 3.01 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 23 G 8.49 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 24 G 8.59 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 25 C 7.89 4.31 0.00 2.94 2.81 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.