NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2757 8.1185 123.5820 52.2992 20.7116 178.8022 2 A 3.8148 8.1685 117.2018 54.9640 18.6066 177.0597 3 L 4.0967 8.4822 116.4591 57.9853 42.9212 177.0702 4 A 4.1137 7.9857 120.9068 55.1477 18.7403 179.4944 5 Q 4.2789 8.1897 115.4970 56.5852 28.6380 177.8793 *7 K 4.2274 8.2376 118.5515 55.9114 34.1207 177.7609 8 K 3.9794 8.2316 118.2194 59.6382 31.8712 179.2546 9 E 4.0652 8.3039 118.7540 59.4293 29.3102 179.4549 10 I 3.7303 7.7890 119.2043 64.2402 37.2251 177.9913 11 A 4.0017 8.2575 121.7986 55.4210 18.2132 179.0439 12 Y 4.0670 8.1466 117.8397 60.9659 38.6806 178.3546 13 L 3.8673 7.7594 118.6918 57.5275 41.7451 179.1175 14 L 4.0769 8.0232 118.3056 57.8842 41.8806 179.1826 15 A 4.1272 7.8823 120.5985 54.6968 18.1974 179.8159 16 K 4.0109 7.5542 115.7092 56.7953 31.9617 178.6017 *18 K 4.0733 8.0231 119.1139 55.8759 34.0069 177.4654 19 A 3.9741 8.0217 120.4333 55.3742 18.2066 179.5014 20 E 3.9253 8.2104 116.9951 59.5014 29.4706 179.7045 21 I 3.7420 7.6109 119.4792 64.3667 37.3245 178.3307 22 L 4.0245 8.2356 119.5987 57.1491 41.3533 179.4167 23 A 3.9386 8.0526 120.9567 55.2416 18.1850 179.5391 24 A 3.9714 7.6748 117.6570 55.2111 18.4732 179.5185 25 L 4.0835 7.8830 116.8210 57.9751 41.9209 179.6096 26 K 4.2003 8.2363 118.4256 59.0379 31.8123 180.1160 27 K 4.1804 7.9061 116.8969 56.7533 31.8131 178.7172 *29 K 4.1530 8.0831 122.8969 56.5010 34.0217 177.6512 30 Q 3.9028 8.4636 119.6397 58.9875 29.2621 176.5803 31 E 4.0959 8.3526 117.8827 59.5193 29.8285 178.1817 32 I 3.7930 7.8498 117.0965 64.2379 37.4757 175.9107 33 A 4.1618 7.9832 126.3735 52.4987 18.0936 176.9761 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 A 8.12 4.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 3.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.10 0.00 1.65 1.75 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.99 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.28 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.34 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 *7 K 8.24 4.23 0.00 1.86 1.98 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 8 K 8.23 3.98 0.00 2.06 1.85 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.27 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 9 E 8.30 4.07 0.00 2.12 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 0.00 2.32 2.44 0.00 10 I 7.79 3.73 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 1.59 0.75 0.92 0.00 0.00 11 A 8.26 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 4.07 0.00 3.07 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 13 L 7.76 3.87 0.00 1.85 1.70 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.02 4.08 0.00 1.78 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.88 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.55 4.01 0.00 1.43 1.69 0.00 1.39 0.00 0.00 1.42 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.27 7.81 *18 K 8.02 4.07 0.00 1.90 1.92 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 A 8.02 3.97 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 20 E 8.21 3.93 0.00 2.01 1.99 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 2.30 2.47 0.00 21 I 7.61 3.74 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.58 0.90 0.00 0.00 22 L 8.24 4.02 0.00 1.67 1.70 0.91 0.58 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 23 A 8.05 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.97 1.31 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 0.00 0.00 25 L 7.88 4.08 0.00 1.79 1.74 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.24 4.20 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 27 K 7.91 4.18 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 *29 K 8.08 4.15 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 30 Q 8.46 3.90 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 31 E 8.35 4.10 0.00 2.06 1.97 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 2.33 2.30 0.00 32 I 7.85 3.79 1.87 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 1.35 0.65 0.91 0.00 0.00 33 A 7.98 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.