NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2012 8.2544 119.0730 56.0607 31.5306 175.5011 *3 K 4.6477 8.0954 123.1788 57.0278 34.2131 178.3621 4 Q 4.3271 7.7138 114.9132 56.5345 27.8499 177.7701 *6 E 4.2433 8.3769 119.5113 57.6253 31.6619 178.1905 7 D 4.3652 8.5485 118.7410 57.3908 40.9494 179.6639 8 K 4.3227 7.8712 118.7732 56.5672 31.9054 177.5948 *10 E 4.3543 8.4030 118.6645 55.9365 31.2590 177.8354 11 E 4.1412 8.2264 117.6034 56.6335 29.1659 178.0605 *13 L 4.2445 8.0509 119.6206 54.8046 43.9202 178.1544 14 S 4.2852 8.1680 114.3922 61.6452 62.8052 177.5852 15 K 4.1984 7.6290 120.3104 56.6070 31.5799 177.3820 *17 Y 5.0350 8.1080 119.0729 57.8652 40.4667 177.6993 18 H 4.3657 8.1296 115.6002 56.1758 28.1311 177.5214 *20 E 4.2578 8.3407 119.5336 56.6923 31.4639 177.2954 21 N 4.3541 8.1253 116.1482 56.5332 38.5470 177.8400 22 E 4.2087 7.8581 115.4480 56.7264 29.3659 178.3123 *24 A 4.3735 8.1917 122.2688 52.5007 20.4845 181.0693 25 R 4.1568 7.7770 114.0776 56.7768 29.5474 178.4137 *27 K 4.1553 8.1483 117.2146 55.8745 33.8118 176.5232 28 K 4.0156 8.5427 118.5782 59.6065 32.3285 179.9484 29 L 4.1722 7.9357 120.8255 54.9529 41.3606 179.0289 *31 G 3.8652 8.2309 107.2860 45.0712 0.0000 173.4998 32 E 4.1526 7.8831 122.8437 56.2900 29.4926 176.3837 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 8.25 4.20 0.00 1.85 1.86 0.00 3.26 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *3 K 8.10 4.65 0.00 1.85 1.87 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.63 7.81 4 Q 7.71 4.33 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.27 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 *6 E 8.38 4.24 0.00 2.28 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 2.29 2.34 0.00 7 D 8.55 4.37 0.00 2.86 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 8 K 7.87 4.32 0.00 1.87 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *10 E 8.40 4.35 0.00 2.11 2.15 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 2.27 2.37 0.00 11 E 8.23 4.14 0.00 2.11 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 2.31 2.25 0.00 *13 L 8.05 4.24 0.00 1.67 1.91 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.17 4.29 0.00 4.12 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 15 K 7.63 4.20 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *17 Y 8.11 5.03 0.00 3.05 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.37 0.00 3.36 3.21 0.00 5.72 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 8.34 4.26 0.00 2.17 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 2.25 2.38 0.00 21 N 8.13 4.35 0.00 2.70 2.67 0.00 0.00 6.92 7.40 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 22 E 7.86 4.21 0.00 1.93 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 2.40 2.36 0.00 *24 A 8.19 4.37 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 25 R 7.78 4.16 0.00 1.84 2.03 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 1.60 1.55 0.00 *27 K 8.15 4.16 0.00 1.78 2.04 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 28 K 8.54 4.02 0.00 1.69 2.08 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.39 7.81 29 L 7.94 4.17 0.00 1.77 1.60 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.23 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.15 0.00 2.15 1.87 0.00 0.00 0.00 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 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.