NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4262 8.0276 122.7543 54.9391 43.8458 175.0999 10 L 4.8758 8.4332 125.2299 54.1016 42.5940 173.7220 11 L 5.0571 8.2153 120.5361 53.5858 47.1420 175.7398 12 E 5.0048 8.4585 116.1558 56.2147 32.8746 174.6885 13 C 5.6704 8.5517 117.4531 57.5126 31.1914 172.8345 14 T 4.5735 8.2818 118.4795 59.7849 69.2877 173.4369 15 E 3.8711 7.7584 129.8052 56.9783 30.6900 176.5944 16 C 4.3960 8.5414 119.5215 60.7684 27.6512 173.5807 17 K 4.3078 9.9667 122.9800 55.7780 29.6769 177.1398 18 R 4.4049 7.2062 115.5129 55.5300 31.5527 172.9219 19 R 3.5029 9.2459 116.8000 57.6145 27.8896 178.2466 20 N 3.6904 9.2132 108.1712 54.5171 40.5645 170.4141 21 Y 5.4411 8.4705 119.7018 58.0341 42.2935 174.4566 22 A 4.5112 8.2338 119.3370 51.2073 23.1415 174.0607 23 T 3.6103 8.0337 109.4565 61.9490 70.4882 171.4446 24 E 4.6685 8.7237 123.3235 56.6222 36.0065 174.8924 25 K 4.9471 8.3090 122.4515 58.0806 34.2126 175.6011 26 N 4.6112 8.9109 122.9045 52.7306 39.7314 174.9873 27 K 4.4568 8.0983 116.4561 55.6913 33.1635 177.6512 28 R 3.7402 8.0936 117.6922 57.1292 29.2874 176.8218 29 N 4.1145 8.0778 114.9721 55.6633 39.8745 174.8984 30 T 3.6322 8.3573 107.9258 62.9620 69.3334 173.9593 31 P 4.0269 0.0000 0.0000 62.7871 27.5849 173.8112 32 N 5.0383 8.3371 118.5578 50.6758 42.3052 173.6011 33 K 4.7768 9.2803 130.1420 57.2290 34.2254 174.1506 34 L 4.4607 8.5425 123.1532 55.8461 40.0919 173.8086 35 E 4.5447 9.1020 116.1070 55.3763 31.2944 175.5839 36 L 5.1636 8.1849 123.0000 54.4973 43.2394 175.1645 37 R 4.8193 8.1709 121.6055 53.9830 34.3301 174.7643 38 K 4.5284 8.7019 122.7446 56.6798 33.1165 175.4238 39 Y 4.7963 9.6562 126.9653 56.7380 42.8288 172.6277 40 C 4.5028 7.9950 126.8582 58.3682 32.1615 170.7506 41 P 5.2279 0.0000 0.0000 60.5764 33.7949 175.8816 42 W 4.5985 9.1922 130.0546 59.9581 31.0847 176.5867 43 C 4.4760 7.4585 117.3609 57.3234 27.5124 172.7229 44 R 4.0942 8.6117 126.1146 54.0219 27.0429 177.4210 45 K 4.7194 8.4998 113.7707 56.2066 35.7316 174.2664 46 H 4.5458 8.7585 119.3549 55.8024 29.4937 174.3997 47 T 4.7514 8.1120 108.3163 60.4619 71.3270 173.8970 48 V 3.5182 8.2353 117.7742 61.3671 33.1768 172.5606 49 H 4.7560 7.7943 121.3611 54.8217 28.0439 174.2732 50 R 4.8597 8.0194 122.1920 53.8328 32.8186 176.5628 51 E 4.1958 7.8854 115.9785 56.1791 30.3208 174.5393 52 V 4.2760 8.6025 115.3197 61.9185 32.6552 172.0528 *53 K 4.1330 8.3210 126.8671 54.9051 32.2491 175.4339 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 9 L 8.03 4.43 0.00 1.71 1.59 0.92 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.43 4.88 0.00 1.74 1.62 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.22 5.06 0.00 1.57 1.55 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.46 5.00 0.00 2.07 1.96 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 2.09 2.39 0.00 13 C 8.55 5.67 0.00 2.52 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.57 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 E 7.76 3.87 0.00 2.15 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 2.30 2.29 0.00 16 C 8.54 4.40 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.97 4.31 0.00 1.77 2.27 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.28 7.81 18 R 7.21 4.40 0.00 1.82 1.79 0.00 3.17 0.00 0.00 3.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.96 0.00 19 R 9.25 3.50 0.00 2.02 1.88 0.00 3.03 0.00 0.00 3.30 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 20 N 9.21 3.69 0.00 2.81 2.99 0.00 0.00 6.68 7.54 0.00 0.00 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 Y 8.47 5.44 0.00 2.93 2.73 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 22 A 8.23 4.51 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 3.61 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 24 E 8.72 4.67 0.00 1.79 1.79 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 2.18 2.35 0.00 25 K 8.31 4.95 0.00 1.71 1.81 0.00 1.18 0.00 0.00 2.43 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.28 7.81 26 N 8.91 4.61 0.00 2.63 2.89 0.00 0.00 6.96 7.61 0.00 0.00 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 K 8.10 4.46 0.00 1.69 1.75 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.38 7.81 28 R 8.09 3.74 0.00 1.91 1.79 0.00 3.25 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 29 N 8.08 4.11 0.00 2.73 2.74 0.00 0.00 6.82 7.54 0.00 0.00 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 8.36 3.63 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 P 0.00 4.03 0.00 2.10 2.13 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 8.34 5.04 0.00 2.60 2.78 0.00 0.00 7.19 6.68 0.00 0.00 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 K 9.28 4.78 0.00 1.90 1.79 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.09 7.81 34 L 8.54 4.46 0.00 1.78 1.76 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.10 4.54 0.00 2.09 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 2.54 2.30 0.00 36 L 8.18 5.16 0.00 1.84 1.64 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.17 4.82 0.00 1.69 1.89 0.00 3.33 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 38 K 8.70 4.53 0.00 1.83 1.78 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.49 7.81 39 Y 9.66 4.80 0.00 3.07 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.50 0.00 2.48 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 0.00 0.00 0.00 0.00 41 P 0.00 5.23 0.00 2.40 2.30 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 42 W 9.19 4.60 0.00 3.22 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 43 C 7.46 4.48 0.00 3.32 2.90 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 44 R 8.61 4.09 0.00 1.82 2.06 0.00 3.36 0.00 0.00 3.20 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 45 K 8.50 4.72 0.00 1.84 1.78 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.15 7.81 46 H 8.76 4.55 0.00 3.29 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.11 4.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 V 8.24 3.52 2.09 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 0.83 0.00 0.00 0.93 0.00 0.00 49 H 7.79 4.76 0.00 3.63 3.23 0.00 6.06 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.02 4.86 0.00 1.82 1.84 0.00 3.30 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 51 E 7.89 4.20 0.00 2.14 2.26 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 2.30 2.26 0.00 52 V 8.60 4.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 *53 K 8.32 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.