NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9291 8.3393 109.7316 45.8772 0.0000 172.5864 2 S 4.4670 7.8149 112.0777 56.4728 65.4515 173.1781 3 F 4.3074 9.5409 121.9717 56.8998 40.7946 177.3743 4 L 4.5759 8.2181 124.6730 52.1863 41.0953 175.2296 5 P 4.2700 0.0000 0.0000 65.6710 31.3411 178.6619 6 N 4.5119 8.1407 114.6617 54.9262 38.6296 175.5711 7 S 4.4939 7.9318 111.8559 58.2765 63.8863 174.2848 8 E 4.1213 7.7125 123.4163 56.5118 29.8795 175.8122 9 Q 4.6051 8.3285 123.2074 54.2042 32.9612 173.8723 10 Q 4.6557 8.5181 121.1484 54.1179 31.0901 174.8072 11 K 4.6571 8.4063 124.4839 54.6933 35.3292 175.2732 12 S 4.8099 8.4873 119.9454 56.9489 66.5568 172.9706 13 A 4.6456 8.1594 123.4022 51.1241 21.9225 175.3163 14 D 4.8197 8.5177 119.6172 52.6865 42.3052 176.3216 15 I 4.2103 8.3240 125.3857 59.6205 38.3008 175.0906 16 V 4.3263 8.2010 125.3294 60.9524 32.9751 174.3800 17 F 4.6369 8.9797 126.1131 55.9763 40.3170 175.4458 18 S 4.8748 8.3611 121.3813 56.4960 64.9821 174.2271 19 S 4.1252 8.4450 121.3500 58.8117 63.3002 173.5792 *20 P 4.2215 0.0000 0.0000 62.3780 31.2045 174.8766 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 G 8.34 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.47 0.00 4.06 3.81 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 0.00 0.00 0.00 3 F 9.54 4.31 0.00 3.05 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 4 L 8.22 4.58 0.00 1.69 1.64 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.27 0.00 2.23 2.34 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 6 N 8.14 4.51 0.00 2.75 2.93 0.00 0.00 6.87 7.57 0.00 0.00 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 S 7.93 4.49 0.00 3.98 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 8 E 7.71 4.12 0.00 1.92 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 2.33 2.30 0.00 9 Q 8.33 4.61 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 10 Q 8.52 4.66 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 11 K 8.41 4.66 0.00 1.68 1.61 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.49 7.81 12 S 8.49 4.81 0.00 3.85 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 13 A 8.16 4.65 1.19 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 0.00 0.00 0.00 14 D 8.52 4.82 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.21 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.84 0.00 0.00 16 V 8.20 4.33 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 0.85 0.00 0.00 0.93 0.00 0.00 17 F 8.98 4.64 0.00 3.00 2.99 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 18 S 8.36 4.87 0.00 3.86 3.79 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 0.00 0.00 0.00 0.00 19 S 8.44 4.13 0.00 3.88 3.81 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 0.00 0.00 0.00 *20 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.