NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2740 8.3149 122.1400 53.8356 34.1631 175.3374 4 L 4.4825 7.5416 119.4909 50.6627 42.9730 175.9174 5 S 4.3183 9.2313 120.4385 58.1188 65.9535 174.3446 6 D 4.3981 8.8496 125.4691 58.6164 40.5926 180.0010 7 E 4.0117 8.0705 117.8869 61.0445 29.7558 180.7292 8 L 4.1980 7.9479 120.1728 57.4889 41.6560 179.4112 9 L 3.8846 8.1697 120.5583 58.1547 42.0498 179.1473 10 I 3.3928 7.6914 119.6669 64.3828 36.9941 178.2885 11 E 4.0560 8.1333 119.2954 59.4671 29.1166 179.7018 12 S 4.1330 8.1858 115.5311 61.5460 62.8943 175.9187 13 Y 3.9943 7.9533 122.2134 60.8237 38.4918 178.2682 14 F 4.4206 7.8041 118.5837 60.4619 38.7711 177.6497 15 K 3.9581 8.1730 118.0618 59.4747 32.3720 178.4267 16 A 4.2403 8.2852 121.6358 55.3370 18.0699 179.7760 17 T 3.8489 7.6860 109.7384 65.3736 68.9247 177.9662 18 E 4.0088 7.9766 120.2952 58.7899 30.5919 179.4873 *20 N 4.7707 8.0578 114.1402 52.9593 39.2318 177.5483 21 L 4.3311 8.0465 122.1396 54.9738 43.0019 178.4955 22 N 4.3277 8.7322 119.6617 55.4203 38.9530 176.2148 23 R 4.2408 8.8109 125.8867 59.6737 30.2755 179.4043 24 D 4.4121 8.1465 120.6655 58.1800 39.9599 181.0457 25 F 4.5807 8.2445 121.0090 61.5105 39.4513 177.2644 26 I 3.7123 8.0568 122.0261 64.8663 36.8312 178.9358 27 E 3.9776 8.5578 119.6668 60.8564 29.6661 181.3126 28 L 4.1232 7.8731 121.3829 58.1897 42.1151 179.3586 29 I 3.5863 7.4009 119.2488 64.2747 37.0225 178.1147 30 E 3.7664 8.4523 122.1340 60.2006 29.4430 179.8480 31 N 4.2900 8.5080 119.5827 57.5638 37.3691 178.5871 32 E 4.1655 7.8506 120.0883 58.8399 29.9682 178.8400 33 I 3.7050 7.6482 120.0885 64.1520 37.1300 178.0655 34 K 3.7877 7.9695 119.5683 59.7618 31.8122 179.5039 35 R 3.8001 7.6396 113.6241 58.5659 29.2619 177.3317 36 R 4.2124 7.7468 119.2835 56.2561 30.3895 176.8609 37 S 3.8938 8.5640 113.9005 59.6727 60.0341 176.2684 38 L 4.6114 7.6922 118.2417 55.1010 42.0756 179.0241 39 G 3.5934 8.0415 110.1923 48.5686 0.0000 174.9175 40 H 4.2648 8.0864 112.1852 55.6866 28.4369 175.3833 41 I 3.4244 7.6192 127.2199 62.1857 37.5514 173.3071 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 3 K 8.31 4.27 0.00 1.79 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 4 L 7.54 4.48 0.00 1.68 1.61 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 S 9.23 4.32 0.00 4.04 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 6 D 8.85 4.40 0.00 2.72 2.75 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 7 E 8.07 4.01 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 8 L 7.95 4.20 0.00 1.85 1.74 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.17 3.88 0.00 1.69 1.78 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.69 3.39 1.71 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 1.66 0.81 0.39 0.00 0.00 11 E 8.13 4.06 0.00 2.15 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 2.55 2.56 0.00 12 S 8.19 4.13 0.00 4.04 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 13 Y 7.95 3.99 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.80 4.42 0.00 3.26 2.92 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 15 K 8.17 3.96 0.00 1.89 2.03 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 16 A 8.29 4.24 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 17 T 7.69 3.85 4.06 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 0.00 0.00 0.54 0.00 0.00 18 E 7.98 4.01 0.00 2.09 1.88 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 2.27 2.21 0.00 *20 N 8.06 4.77 0.00 2.76 2.76 0.00 0.00 6.90 7.79 0.00 0.00 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 L 8.05 4.33 0.00 1.85 1.79 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.73 4.33 0.00 2.72 2.73 0.00 0.00 6.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.81 4.24 0.00 1.94 1.99 0.00 3.23 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 24 D 8.15 4.41 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.24 4.58 0.00 3.09 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.06 3.71 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 1.05 0.00 0.00 27 E 8.56 3.98 0.00 1.96 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 2.24 2.19 0.00 28 L 7.87 4.12 0.00 1.89 1.81 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.40 3.59 1.94 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.08 0.91 0.00 0.00 30 E 8.45 3.77 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.53 0.00 31 N 8.51 4.29 0.00 2.68 2.83 0.00 0.00 6.74 7.52 0.00 0.00 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 7.85 4.17 0.00 1.92 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 2.27 2.33 0.00 33 I 7.65 3.70 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.65 0.00 0.00 34 K 7.97 3.79 0.00 1.89 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 35 R 7.64 3.80 0.00 1.97 2.20 0.00 3.03 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 36 R 7.75 4.21 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 37 S 8.56 3.89 0.00 3.77 3.85 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 38 L 7.69 4.61 0.00 1.65 1.48 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.04 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.09 4.26 0.00 3.24 3.43 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.62 3.42 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.47 1.06 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.