NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2044 8.1127 119.0730 56.0337 30.9784 177.1828 *3 K 4.2910 8.6322 115.1631 58.3391 33.7152 178.6069 4 Q 4.3237 7.5073 117.0933 56.0712 27.9411 178.1366 *6 E 4.2106 8.3482 119.0423 56.5115 31.4657 176.5921 7 D 4.4909 8.4408 118.7965 57.3117 40.9505 178.3858 8 K 4.3647 7.5171 118.6111 56.8717 32.3151 177.8485 *10 E 4.4100 8.3899 117.5923 56.1928 31.3452 179.4607 11 E 4.2934 8.1026 118.6030 56.3646 29.0502 178.6401 *13 L 4.2559 8.0883 117.6157 54.5050 43.8934 178.5750 14 S 4.2723 8.2487 112.8517 61.4164 62.3873 177.1095 15 K 4.4198 8.1176 119.0655 56.8347 31.4564 177.9912 *17 Y 4.9915 8.0041 119.7683 58.3603 40.4140 176.9791 18 H 4.5368 8.1222 115.6651 56.4132 28.4106 177.5679 *20 E 4.2262 8.3806 119.9754 56.7094 31.5189 178.2562 21 N 4.2122 8.1597 116.0367 56.5665 38.5531 178.1631 22 E 4.0835 7.8668 115.4140 56.7073 29.3058 178.2374 *24 A 4.3579 8.2051 122.9727 52.4678 20.5008 180.0206 25 R 4.2863 7.7375 114.5243 56.8564 29.8477 178.1979 *27 K 4.1495 8.1875 118.0738 55.8613 33.9276 176.7966 28 K 4.0668 8.3152 119.8556 59.5522 32.1203 180.2356 29 L 4.2395 8.1012 118.8157 55.1023 41.1716 177.9427 *31 G 3.9863 8.1901 107.5127 44.7385 0.0000 173.5033 32 E 4.1880 7.8563 122.9868 56.2619 29.5515 176.0119 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 1 R 8.11 4.20 0.00 1.75 1.52 0.00 3.25 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 1.53 1.20 0.00 *3 K 8.63 4.29 0.00 1.85 1.87 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 4 Q 7.51 4.32 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 *6 E 8.35 4.21 0.00 1.95 2.07 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 0.00 2.18 2.34 0.00 7 D 8.44 4.49 0.00 2.86 2.69 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 8 K 7.52 4.36 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *10 E 8.39 4.41 0.00 2.30 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 2.28 2.47 0.00 11 E 8.10 4.29 0.00 2.11 2.09 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 0.00 2.32 2.29 0.00 *13 L 8.09 4.26 0.00 1.92 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.25 4.27 0.00 3.83 4.10 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 15 K 8.12 4.42 0.00 1.80 1.86 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.55 7.81 *17 Y 8.00 4.99 0.00 3.04 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.54 0.00 3.45 3.29 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.38 4.23 0.00 2.12 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 2.29 2.33 0.00 21 N 8.16 4.21 0.00 2.68 2.68 0.00 0.00 6.45 6.59 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 22 E 7.87 4.08 0.00 1.94 1.95 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 2.38 2.42 0.00 *24 A 8.21 4.36 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.29 0.00 1.94 2.02 0.00 3.11 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 *27 K 8.19 4.15 0.00 1.77 1.99 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 28 K 8.32 4.07 0.00 1.87 1.98 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.37 7.81 29 L 8.10 4.24 0.00 1.75 1.63 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.19 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 0.00 0.00 0.00 32 E 7.86 4.19 0.00 1.91 1.86 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 2.30 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.