NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4530 8.3349 117.0995 57.1173 64.4981 174.1711 20 P 4.4790 0.0000 0.0000 63.9772 29.3968 176.5438 21 M 4.7109 7.8556 117.0064 57.4360 33.7810 179.5411 22 S 4.5238 8.1246 124.9580 64.5193 62.2708 179.8345 23 L 4.5129 8.0560 124.5004 59.1329 40.7653 183.0167 24 I 4.6157 7.7137 118.7146 63.1509 36.6361 182.9427 25 L 4.3728 7.3933 121.1344 59.7044 41.7538 183.7532 26 M 4.2562 8.1981 119.8577 58.3211 32.0249 178.4315 27 L 3.9767 7.8178 118.8038 57.7599 42.0128 179.2513 28 V 3.7588 7.4333 120.1639 66.5203 31.2477 179.0109 29 V 3.6476 7.6827 121.5522 66.3997 31.1506 183.2328 *30 F 4.2938 7.9342 121.3057 61.9138 37.6714 180.1813 31 G 3.7866 8.3614 108.7327 48.1758 0.0000 176.2819 32 L 2.5929 7.9980 124.0934 59.4895 41.2071 180.6349 33 I 3.4711 8.2139 121.3914 65.4910 37.1397 178.4682 *34 F 3.9376 7.9430 120.4677 62.7959 37.9966 179.2727 35 Y 4.6868 7.7874 119.5548 59.4815 37.3325 177.9394 *36 F 4.6983 7.4832 121.7731 60.2972 39.8678 182.7988 37 M 4.1041 8.5176 120.7447 59.5213 31.3778 178.9435 38 I 3.5249 7.7780 119.7120 65.1394 35.4997 179.6655 39 L 5.0267 7.7587 124.1015 58.0652 41.5483 179.7442 40 R 4.1745 8.5073 123.0063 60.8985 30.0957 182.1255 41 P 4.6901 0.0000 0.0000 67.7274 30.7170 180.6150 42 Q 4.3011 9.5964 123.4729 60.9351 27.8680 181.3036 43 Q 4.1864 7.8613 124.1294 59.3230 27.8553 180.2971 44 K 4.7376 8.0717 124.1565 58.2181 32.7666 183.3636 45 R 4.7314 8.8339 125.1372 61.4140 30.9637 184.0152 46 T 4.3394 7.8530 115.9725 66.5599 68.6309 180.3161 47 K 4.5471 7.5241 125.8883 58.2885 31.7195 180.1950 48 E 4.5984 7.7764 117.5194 61.3253 30.9903 182.5862 49 H 4.7364 8.3190 119.5520 58.8937 28.8191 178.2838 50 K 4.2142 8.6869 125.2276 58.5025 31.2646 180.5389 51 K 4.5601 8.4372 122.9172 56.6862 31.7097 183.8534 52 L 4.2166 7.6529 118.8255 57.1995 40.7060 182.9678 53 M 4.2764 8.3363 118.6735 57.8884 31.3357 177.6582 54 D 4.5478 7.9984 121.9480 55.6380 40.6975 181.2517 55 S 4.4107 7.8593 118.3365 58.6985 62.2214 178.2296 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 19 S 8.33 4.45 0.00 3.65 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 4.48 0.00 2.11 2.07 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 21 M 7.86 4.71 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.13 0.00 22 S 8.12 4.52 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 23 L 8.06 4.51 0.00 1.74 1.61 0.92 0.75 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 24 I 7.71 4.62 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 0.63 0.91 0.00 0.00 25 L 7.39 4.37 0.00 1.64 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.20 4.26 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 27 L 7.82 3.98 0.00 1.74 1.71 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.43 3.76 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.03 0.00 0.00 29 V 7.68 3.65 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 0.72 0.00 0.00 0.93 0.00 0.00 *30 F 7.93 4.29 0.00 2.22 2.35 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 31 G 8.36 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 0.00 0.00 0.00 32 L 8.00 2.59 0.00 1.70 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.21 3.47 1.86 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 1.30 0.27 0.85 0.00 0.00 *34 F 7.94 3.94 0.00 2.11 2.31 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 35 Y 7.79 4.69 0.00 2.94 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 F 7.48 4.70 0.00 2.32 2.29 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 37 M 8.52 4.10 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 38 I 7.78 3.52 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 1.52 0.56 0.91 0.00 0.00 39 L 7.76 5.03 0.00 2.14 1.89 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.51 4.17 0.00 1.90 1.81 0.00 3.33 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 41 P 0.00 4.69 0.00 2.07 2.09 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.66 0.00 42 Q 9.60 4.30 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 43 Q 7.86 4.19 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 44 K 8.07 4.74 0.00 1.81 1.70 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.29 7.81 45 R 8.83 4.73 0.00 1.73 1.93 0.00 3.23 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 46 T 7.85 4.34 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 47 K 7.52 4.55 0.00 1.86 1.74 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 48 E 7.78 4.60 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 49 H 8.32 4.74 0.00 3.19 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.69 4.21 0.00 1.70 1.80 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.33 7.81 51 K 8.44 4.56 0.00 1.65 1.81 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.25 7.81 52 L 7.65 4.22 0.00 1.53 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 M 8.34 4.28 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 54 D 8.00 4.55 0.00 2.69 2.57 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 55 S 7.86 4.41 0.00 3.65 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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.