NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *28 K 4.2956 8.1685 122.1404 54.3621 33.0833 177.1885 29 A 4.0008 8.6860 115.5655 57.0504 18.2344 178.7126 *30 T 3.8912 8.2386 114.2071 66.8084 69.0173 178.4904 *31 I 3.9945 7.6443 124.6135 65.9536 35.4822 181.6267 *32 S 4.5271 8.1710 122.5107 63.3904 62.1731 179.1878 *33 V 3.9243 8.0816 124.0708 66.9605 31.3163 183.5185 *34 I 4.0798 8.2511 123.4390 65.6592 35.3052 181.3694 *35 I 4.0111 7.7535 123.9913 65.6577 35.1779 181.0609 *36 F 4.3415 8.3978 124.9843 62.4545 37.8374 180.3388 *37 S 4.3366 8.5988 122.2069 63.8413 62.0508 179.3005 *38 L 4.2281 8.1547 125.7608 59.1872 40.4106 181.2758 39 A 4.2544 7.8522 123.2653 55.7703 18.7110 180.1333 *40 I 3.9303 8.6345 119.4263 65.2047 35.4596 180.4228 41 G 3.9136 8.3147 109.9967 48.3358 0.0000 176.7849 *42 V 3.7340 7.9268 124.1924 66.6237 31.4726 181.1894 *43 Y 4.2519 7.9001 123.4695 62.5488 36.7430 181.3602 *44 L 4.2152 7.9391 126.5318 59.6066 41.1747 181.6479 *45 W 4.2558 8.3437 126.5194 61.9888 28.0325 181.0274 *46 I 4.0127 8.2169 124.2383 65.5614 34.9643 180.7877 *47 L 4.3044 8.9480 128.2580 59.8507 40.6829 181.4243 *48 D 4.6738 8.7776 124.5283 59.0202 39.7081 181.7893 *49 L 4.2968 7.8972 125.6761 60.3074 40.8813 182.3781 *50 T 4.1831 7.7166 117.7753 66.3648 68.4164 179.1403 *51 F 4.2738 8.1557 126.1189 62.8425 38.0571 180.1941 *52 T 4.2299 8.0232 117.9274 66.2507 67.9637 178.9984 *53 K 4.2151 7.9630 127.9851 60.4969 32.1383 181.8035 *54 I 4.1754 8.4237 124.2475 65.4557 35.3541 181.0993 *55 I 4.0093 8.4092 125.0982 65.7798 35.2520 181.0609 *56 S 4.4777 8.2975 123.0337 63.3024 61.9650 179.0111 *57 F 4.3206 8.1182 125.0744 62.9379 37.8708 182.3981 *58 I 3.9926 7.6576 123.5892 65.3970 35.0551 180.7908 *59 L 4.2741 7.8889 125.2015 59.9504 40.9785 181.5261 *60 S 4.5501 8.6808 122.0134 63.6750 62.3734 178.7166 *61 L 4.4137 8.0682 127.3635 59.4912 40.8774 179.8977 *62 R 4.4578 7.6374 121.1668 55.9059 29.8022 177.5978 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 *28 K 8.17 4.30 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 29 A 8.69 4.00 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 *30 T 8.24 3.89 4.24 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 1.21 0.00 0.00 *31 I 7.64 3.99 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 1.38 0.54 0.91 0.00 0.00 *32 S 8.17 4.53 0.00 3.73 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *33 V 8.08 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 *34 I 8.25 4.08 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 1.38 0.54 0.91 0.00 0.00 *35 I 7.75 4.01 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 1.38 0.54 0.91 0.00 0.00 *36 F 8.40 4.34 0.00 2.27 2.33 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 *37 S 8.60 4.34 0.00 3.68 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 0.00 *38 L 8.15 4.23 0.00 1.65 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.85 4.25 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 *40 I 8.63 3.93 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 1.45 0.70 0.91 0.00 0.00 41 G 8.31 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 0.00 0.00 0.00 0.00 *42 V 7.93 3.73 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 0.93 0.00 0.00 *43 Y 7.90 4.25 0.00 2.35 2.33 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 *44 L 7.94 4.22 0.00 1.64 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *45 W 8.34 4.26 0.00 2.49 2.32 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 *46 I 8.22 4.01 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 1.38 0.54 0.91 0.00 0.00 *47 L 8.95 4.30 0.00 1.56 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *48 D 8.78 4.67 0.00 2.63 2.71 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 *49 L 7.90 4.30 0.00 1.68 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *50 T 7.72 4.18 4.24 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 1.21 0.00 0.00 *51 F 8.16 4.27 0.00 2.30 2.33 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 *52 T 8.02 4.23 4.24 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 1.21 0.00 0.00 *53 K 7.96 4.22 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *54 I 8.42 4.18 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 1.38 0.54 0.91 0.00 0.00 *55 I 8.41 4.01 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 1.38 0.54 0.91 0.00 0.00 *56 S 8.30 4.48 0.00 3.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 F 8.12 4.32 0.00 2.30 2.33 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 *58 I 7.66 3.99 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 1.38 0.54 0.91 0.00 0.00 *59 L 7.89 4.27 0.00 1.74 1.61 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *60 S 8.68 4.55 0.00 3.64 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 *61 L 8.07 4.41 0.00 1.74 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *62 R 7.64 4.46 0.00 1.84 1.69 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.