NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.5981 8.3249 119.0070 56.3494 38.5527 173.4760 2 V 3.7136 8.0451 120.7057 59.5328 32.0146 175.3008 3 N 4.6259 9.4064 123.6633 53.2593 40.1645 173.2406 4 Q 4.7526 8.0117 117.3751 53.7423 32.1903 175.4651 5 H 4.0523 8.9243 116.1672 56.5181 28.9594 175.0961 6 L 4.7077 8.5119 123.8856 53.1804 43.3373 175.5767 7 C 4.9941 8.2885 120.6596 58.8501 33.1721 176.2656 8 G 3.9640 8.2760 112.0749 47.4487 0.0000 177.4744 9 S 4.0929 8.6144 120.9032 60.9382 62.8796 175.2974 10 H 4.1426 7.9143 119.5392 58.6364 28.1106 177.0268 11 L 3.8579 7.8728 121.5187 58.4506 41.8115 179.2769 12 V 3.3810 7.4224 111.4136 63.7489 31.4202 178.2216 13 E 3.9460 8.2179 118.4119 59.4813 29.2574 179.3044 14 A 3.9548 7.8922 120.5759 55.0484 18.5602 179.7565 15 L 3.5819 7.2671 117.0170 57.7513 41.4476 178.7647 16 Y 4.2417 7.8424 119.7239 60.9427 38.5170 177.9241 17 L 3.5135 7.5093 119.3968 58.3620 42.1991 178.9874 18 V 3.6866 7.4903 116.6341 65.0013 31.8026 176.2531 19 C 4.6264 7.7527 114.7903 59.4519 32.2093 177.7982 20 G 3.6033 8.5453 106.0555 45.6108 0.0000 176.7138 21 E 4.0459 9.1684 124.2931 58.9817 29.6951 178.7071 22 R 3.8808 7.8750 118.2567 59.1644 30.1742 176.2465 23 G 3.8303 8.5833 100.6994 45.0065 0.0000 171.6851 24 F 4.8163 7.5435 111.8707 56.1518 39.8746 172.9624 25 F 4.9536 8.5466 115.7781 55.0638 39.9280 173.8931 26 Y 4.8914 9.0476 125.5914 56.3831 39.6594 175.5058 27 T 4.5575 7.9247 118.6124 58.6882 68.6936 172.2454 28 P 3.9558 0.0000 0.0000 66.4340 31.9644 178.1058 29 K 3.8882 8.0851 115.3558 59.7766 32.1957 176.8747 30 T 4.0554 7.2289 118.5851 64.1523 68.4236 173.4596 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 8.32 4.60 0.00 2.32 2.21 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 2 V 8.05 3.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 3 N 9.41 4.63 0.00 2.70 2.76 0.00 0.00 6.92 7.69 0.00 0.00 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 8.01 4.75 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 5 H 8.92 4.05 0.00 3.10 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.51 4.71 0.00 1.58 1.57 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.29 4.99 0.00 2.95 2.84 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 8 G 8.28 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 9 S 8.61 4.09 0.00 3.95 4.04 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 0.00 0.00 0.00 10 H 7.91 4.14 0.00 3.36 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.87 3.86 0.00 1.78 1.84 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.42 3.38 2.03 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 0.10 0.00 0.00 0.85 0.00 0.00 13 E 8.22 3.95 0.00 2.15 2.03 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 2.28 2.56 0.00 14 A 7.89 3.95 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 7.27 3.58 0.00 0.97 0.13 0.52 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.84 4.24 0.00 3.29 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.51 0.00 1.92 1.74 0.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.49 3.69 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 0.81 0.00 0.00 0.88 0.00 0.00 19 C 7.75 4.63 0.00 3.12 3.09 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 0.00 0.00 0.00 20 G 8.55 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 21 E 9.17 4.05 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 2.26 2.34 0.00 22 R 7.87 3.88 0.00 2.00 2.06 0.00 3.13 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 23 G 8.58 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.82 0.00 2.90 2.97 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 25 F 8.55 4.95 0.00 3.18 3.06 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 0.00 26 Y 9.05 4.89 0.00 3.17 3.15 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 0.00 0.00 0.00 27 T 7.92 4.56 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 28 P 0.00 3.96 0.00 1.91 2.01 0.00 3.35 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.00 29 K 8.09 3.89 0.00 1.71 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 30 T 7.23 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.