NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.6537 8.1827 119.0131 56.1897 40.0922 175.5006 2 V 3.5399 8.2195 119.9515 66.3759 31.2712 176.5855 3 N 4.3877 9.0170 117.1816 56.5600 38.7614 176.7570 4 Q 4.0438 7.9584 118.8897 59.0625 28.8741 177.9986 5 H 4.1067 8.3808 119.3843 59.2039 29.3876 177.3738 6 L 3.9780 8.5441 121.0831 57.9126 41.4181 178.8859 7 C 4.1944 8.5281 119.1832 62.6194 31.4978 175.8771 8 G 3.5977 8.3192 107.3056 47.8476 0.0000 175.4574 9 S 3.9645 7.8043 114.9368 61.5383 62.3161 176.0402 10 H 4.2793 7.9212 117.7914 58.3879 28.4486 177.6486 11 L 3.9604 8.0486 121.1091 58.0354 41.4747 180.0672 12 V 3.3949 7.6718 112.1396 64.2806 31.2831 178.5487 13 E 4.0219 7.8088 117.1246 59.1138 29.2244 179.1862 14 A 3.9899 8.1446 121.0839 55.0810 18.3596 179.6929 15 L 3.6977 7.9109 117.7686 57.7880 41.4557 178.9572 16 Y 4.3594 7.8131 119.5706 60.6312 38.4626 178.1841 17 L 3.7975 7.4813 119.7315 58.2747 42.4275 178.9825 18 V 3.7160 7.8139 111.3002 64.5767 31.8462 178.0716 19 C 4.3159 8.6717 116.7772 60.7034 28.4903 175.1860 20 G 3.7067 8.1512 109.3219 45.8699 0.0000 176.0438 21 E 4.0123 8.9368 119.2703 59.2119 29.3847 178.9262 22 R 3.8681 7.8527 117.8473 56.9566 30.2269 177.9046 23 G 4.0005 8.7817 107.1084 45.0952 0.0000 171.6343 24 F 4.9872 7.6539 112.0989 56.1729 40.2860 173.0180 25 F 4.5420 9.0188 119.1108 55.6573 41.3735 174.4459 26 Y 4.7887 8.8261 126.1412 56.2460 39.5426 175.2363 27 T 4.3716 7.7026 118.4378 58.3625 68.7621 172.6210 28 P 4.0637 0.0000 0.0000 65.2463 31.6387 177.9277 29 K 4.1696 7.4988 126.0032 54.7606 31.8728 181.3633 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 F 8.18 4.65 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.54 2.10 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 0.82 0.00 0.00 0.93 0.00 0.00 3 N 9.02 4.39 0.00 2.87 2.87 0.00 0.00 7.16 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.96 4.04 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 H 8.38 4.11 0.00 3.30 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.54 3.98 0.00 1.86 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.53 4.19 0.00 3.03 3.12 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 0.00 0.00 0.00 0.00 8 G 8.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.80 3.96 0.00 3.76 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 10 H 7.92 4.28 0.00 3.39 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.05 3.96 0.00 1.82 1.73 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.67 3.39 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 0.21 0.00 0.00 0.85 0.00 0.00 13 E 7.81 4.02 0.00 2.16 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 2.38 2.40 0.00 14 A 8.14 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.70 0.00 0.69 0.48 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.81 4.36 0.00 3.28 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 3.80 0.00 1.63 1.80 0.87 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.81 3.72 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 0.81 0.00 0.00 0.91 0.00 0.00 19 C 8.67 4.32 0.00 3.16 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.71 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 0.00 0.00 0.00 21 E 8.94 4.01 0.00 2.09 2.11 0.00 0.00 0.00 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 2.29 0.00 22 R 7.85 3.87 0.00 2.05 2.10 0.00 3.27 0.00 0.00 3.51 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 23 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.65 4.99 0.00 3.25 3.05 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 0.00 0.00 0.00 25 F 9.02 4.54 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.83 4.79 0.00 3.21 3.05 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 0.00 0.00 0.00 27 T 7.70 4.37 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 28 P 0.00 4.06 0.00 2.17 2.11 0.00 3.58 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 29 K 7.50 4.17 0.00 1.73 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.