NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7442 8.3549 109.7250 45.4859 0.0000 173.2405 2 Y 4.4862 8.0147 117.1089 57.5131 38.5867 173.2998 3 I 4.5324 8.8539 122.8833 58.9084 40.3819 174.2340 4 P 4.5887 0.0000 0.0000 61.7794 32.0207 175.8653 5 E 3.9505 8.6171 120.6960 56.2291 30.0149 176.6886 6 A 2.9723 7.4433 127.1530 50.2744 19.0209 175.5488 7 P 4.1486 0.0000 0.0000 63.3564 31.7501 177.2099 8 R 4.5799 8.1891 119.8451 56.2259 30.7018 177.4572 9 D 4.4796 8.0853 117.3988 55.2143 40.7586 176.4437 *11 Q 3.9759 7.6106 117.5090 54.6207 30.0905 174.2715 12 A 4.5660 7.8630 120.9739 51.3801 20.5051 176.0157 13 Y 5.2561 8.5146 118.1075 56.3186 41.8828 175.1370 14 V 4.8261 9.2308 114.7644 59.7304 36.1100 174.2741 15 R 4.5935 8.4496 122.2579 54.0648 31.5312 176.8721 16 K 4.3999 8.6317 130.3675 55.2407 32.4841 176.8389 *18 G 3.5673 8.0877 102.9237 44.7834 0.0000 172.5493 19 E 4.6017 7.8741 117.9572 53.9049 33.6362 174.2845 20 W 5.2739 8.5199 120.4986 55.9272 30.3391 176.1248 21 V 4.8110 9.1961 124.5538 60.6497 34.3709 174.6742 22 L 4.0258 8.7006 126.7280 54.7964 42.0873 177.8320 23 L 4.1755 8.8723 126.1242 58.4721 41.8872 179.3763 24 S 4.1349 8.1046 113.8601 61.6681 62.5041 176.3591 25 T 3.8241 7.4833 111.6536 63.6257 68.5476 175.5060 26 F 4.6312 8.0376 118.8729 57.5755 39.6415 175.6535 27 L 4.2444 7.6546 123.9660 54.9871 41.4610 176.6460 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 8.35 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.01 4.49 0.00 3.07 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.85 4.53 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.92 0.00 0.00 4 P 0.00 4.59 0.00 2.19 2.06 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 5 E 8.62 3.95 0.00 1.89 1.82 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 2.21 2.21 0.00 6 A 7.44 2.97 -0.30 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 7 P 0.00 4.15 0.00 1.62 1.86 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.85 0.00 8 R 8.19 4.58 0.00 1.74 1.88 0.00 3.15 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 9 D 8.09 4.48 0.00 2.81 2.81 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 *11 Q 7.61 3.98 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 12 A 7.86 4.57 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 5.26 0.00 2.65 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.23 4.83 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 0.76 0.00 0.00 0.98 0.00 0.00 15 R 8.45 4.59 0.00 1.45 1.65 0.00 2.40 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.34 0.00 16 K 8.63 4.40 0.00 1.79 1.72 0.00 1.97 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.43 7.81 *18 G 8.09 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.87 4.60 0.00 2.08 1.81 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 2.19 2.41 0.00 20 W 8.52 5.27 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.20 4.81 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.09 0.00 0.00 22 L 8.70 4.03 0.00 1.61 1.47 0.91 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.87 4.18 0.00 1.79 1.74 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.10 4.13 0.00 4.05 4.08 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 0.00 0.00 0.00 0.00 25 T 7.48 3.82 3.91 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 0.00 0.00 1.10 0.00 0.00 26 F 8.04 4.63 0.00 3.19 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 27 L 7.65 4.24 0.00 1.60 1.60 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.