NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2984 8.1127 120.8599 56.1791 31.8587 177.0499 *3 K 4.2239 8.0520 119.3257 56.5389 34.1478 177.6122 4 Q 4.5125 7.6620 116.1023 56.5032 28.1281 178.1440 *6 E 4.2354 8.3330 118.0771 56.7501 31.6378 177.1116 7 D 4.5224 8.5594 118.6681 57.5469 40.8739 179.6525 8 K 4.3409 7.6160 117.6809 56.7845 32.0903 177.4843 *10 E 4.3609 8.3820 119.0334 55.8745 31.2367 177.9346 11 E 4.1871 8.0972 117.3891 56.7036 29.0992 178.3876 *13 L 4.2952 8.0746 117.4731 54.3662 43.6950 178.6284 14 S 4.3751 8.1738 112.9281 61.2779 63.2555 176.5825 15 K 4.4298 7.9277 118.9963 56.7121 31.6258 177.7538 *17 Y 4.8298 8.0877 120.6519 58.2547 40.2761 177.3069 18 H 4.2483 8.1826 116.8151 56.2509 28.7376 177.7179 *20 E 4.2198 8.3628 119.5307 56.7028 31.4548 177.5781 21 N 4.3609 7.8978 115.8123 56.4890 38.5931 178.9247 22 E 4.1930 8.0498 115.4812 56.5075 29.0107 178.2906 *24 A 4.3579 8.2178 122.7005 52.4885 20.4471 180.7879 25 R 4.1421 7.9726 113.6607 57.0015 29.5510 178.4072 *27 K 4.1861 8.1616 116.5391 55.9599 33.8726 177.4311 28 K 4.0801 8.0800 118.1774 59.6379 32.2451 180.5597 29 L 4.1301 7.8971 118.1993 54.7706 40.6040 179.4485 *31 G 3.8909 8.0969 109.0215 44.8040 0.0000 173.5860 32 E 4.2570 7.7361 123.7509 56.4479 29.9405 175.6243 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 4.30 0.00 1.95 1.95 0.00 3.29 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 0.00 *3 K 8.05 4.22 0.00 1.90 1.82 0.00 1.66 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 7.66 4.51 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 *6 E 8.33 4.24 0.00 2.17 2.04 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 2.21 2.34 0.00 7 D 8.56 4.52 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.34 0.00 1.87 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *10 E 8.38 4.36 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 11 E 8.10 4.19 0.00 2.06 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 2.33 2.30 0.00 *13 L 8.07 4.30 0.00 1.89 1.73 0.94 0.93 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 14 S 8.17 4.38 0.00 4.14 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 0.00 15 K 7.93 4.43 0.00 1.93 1.90 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.43 7.81 *17 Y 8.09 4.83 0.00 3.01 3.09 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 0.00 0.00 0.00 18 H 8.18 4.25 0.00 3.22 3.23 0.00 5.70 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 *20 E 8.36 4.22 0.00 2.11 1.99 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 2.22 2.34 0.00 21 N 7.90 4.36 0.00 2.73 2.70 0.00 0.00 6.72 6.12 0.00 0.00 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 8.05 4.19 0.00 2.01 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 2.31 2.38 0.00 *24 A 8.22 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.14 0.00 2.00 1.99 0.00 3.11 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 *27 K 8.16 4.19 0.00 1.95 1.89 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 28 K 8.08 4.08 0.00 1.81 2.05 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.40 7.81 29 L 7.90 4.13 0.00 1.80 1.66 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.10 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.74 4.26 0.00 2.03 1.81 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 2.22 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.