NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8227 8.2133 109.7226 44.8747 0.0000 174.4846 3 K 3.6906 8.4131 115.7432 56.8783 32.1310 176.2222 4 G 3.6963 9.4505 108.5207 46.3428 0.0000 173.1639 5 D 4.2267 7.9511 120.0019 54.5721 41.2176 176.7304 6 R 4.2538 8.5473 123.1907 57.0735 29.6260 176.7611 7 R 4.2478 7.6240 116.7901 55.9318 31.0745 174.6545 8 T 4.6981 7.5318 106.2727 58.8336 71.9766 173.5467 9 R 3.9753 8.0579 120.3872 59.8009 30.0432 177.7523 10 R 4.2952 7.8429 116.8518 57.6891 28.8585 178.9784 11 G 3.9636 7.7218 108.0431 46.9262 0.0000 175.5315 12 K 4.4455 8.0578 119.8814 58.4206 32.3650 178.1832 13 I 3.6881 7.7128 119.9043 63.0534 37.0075 177.2831 14 W 4.3580 8.3027 131.1633 61.1419 30.8772 177.9108 15 R 4.0170 7.5371 116.5841 59.6474 29.6577 178.3222 16 G 4.2749 8.2319 107.1379 45.9833 0.0000 173.2207 17 T 4.9227 7.7080 107.1892 59.8231 72.1870 172.1809 18 Y 4.6391 8.1802 118.6092 56.2842 41.2420 175.1985 19 G 3.9737 8.3795 109.0960 45.4788 0.0000 173.3734 20 K 3.8827 7.5459 117.3954 60.4456 32.8957 177.5728 21 Y 4.2797 8.0794 113.1199 58.3594 37.3477 177.5723 22 R 4.5957 8.8725 117.9509 54.6989 32.2584 170.6661 23 P 4.2630 0.0000 0.0000 62.3948 32.5719 177.5830 24 R 4.4823 8.5343 125.9252 55.4553 28.5072 175.3929 25 K 3.7777 7.7931 124.5711 55.9921 32.8202 175.9154 *26 K 4.1330 8.3928 119.7120 54.8110 32.3269 172.0482 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 G 8.21 3.82 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 0.00 0.00 0.00 3 K 8.41 3.69 0.00 1.15 0.90 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.32 7.81 4 G 9.45 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.95 4.23 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 4.25 0.00 1.79 1.90 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 7 R 7.62 4.25 0.00 1.42 0.90 0.00 2.87 0.00 0.00 2.88 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.29 0.00 8 T 7.53 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 R 8.06 3.98 0.00 1.96 1.90 0.00 3.22 0.00 0.00 3.33 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 10 R 7.84 4.30 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 11 G 7.72 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.06 4.45 0.00 1.77 1.83 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.52 7.81 13 I 7.71 3.69 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.93 0.00 0.00 14 W 8.30 4.36 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.02 0.00 2.32 2.04 0.00 3.49 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 16 G 8.23 4.27 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 0.00 17 T 7.71 4.92 4.31 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 1.25 0.00 0.00 18 Y 8.18 4.64 0.00 2.88 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 19 G 8.38 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.55 3.88 0.00 1.81 1.82 0.00 1.58 0.00 0.00 1.35 0.00 0.00 2.15 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.07 1.33 7.81 21 Y 8.08 4.28 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.60 0.00 1.72 1.81 0.00 3.01 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 23 P 0.00 4.26 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 24 R 8.53 4.48 0.00 1.90 1.90 0.00 3.35 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 25 K 7.79 3.78 0.00 1.91 1.80 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.43 7.81 *26 K 8.39 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.