NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3094 8.1627 120.3514 50.7981 34.2251 177.4894 2 E 3.8082 8.3390 121.5786 57.4944 30.8503 175.4780 3 K 4.2123 9.9807 118.7277 59.0134 33.0027 179.1398 4 V 3.5471 7.6661 118.0438 66.2190 31.7124 177.8714 5 Q 4.2932 8.1780 118.5259 58.3708 28.5434 178.5681 6 Y 4.3708 7.7990 119.8726 60.3567 38.9686 177.5587 7 L 3.4269 7.4817 119.9009 57.7602 41.3137 179.4473 8 T 3.8331 8.2081 110.1899 64.9062 68.4804 176.4682 9 R 3.9727 7.8787 121.1374 59.0642 30.1267 178.6670 10 S 4.1644 7.8607 114.5499 61.2578 62.7143 176.1385 11 A 3.9856 7.8441 123.4198 54.9085 18.1453 179.4741 12 I 3.8781 7.5458 117.4944 64.4415 37.2860 178.2350 13 R 4.0976 7.5931 118.8855 58.5816 30.1543 177.4252 14 R 4.3480 7.6141 114.6616 56.4974 30.5179 176.6379 15 A 4.6503 8.2033 119.3338 52.5422 19.3194 177.5307 16 S 4.3949 7.9264 111.5204 59.9147 62.4686 174.2535 17 T 4.6325 7.4214 109.1557 61.9339 68.8862 173.9823 18 I 4.7850 7.4594 120.7623 61.0615 41.4087 175.8500 19 E 4.7539 8.2072 118.9085 55.1873 29.9643 173.8960 20 M 4.8779 7.7006 125.2767 53.9057 36.4882 174.3532 21 P 4.5789 0.0000 0.0000 62.9314 30.6980 176.3684 22 Q 3.4881 7.7654 119.9922 57.2898 30.0178 175.0418 23 Q 3.8708 7.8434 116.0626 59.4499 29.7007 179.7392 24 A 4.0098 7.9643 121.3109 54.8451 18.5694 179.0843 25 R 3.7791 8.4171 117.6547 59.9072 30.0232 178.6644 26 Q 3.9542 7.4583 118.9742 59.0979 28.7724 178.8691 27 K 3.9422 8.1248 119.3101 59.5705 32.0404 179.4761 28 L 4.0179 8.4655 119.6901 57.6918 41.7531 179.2636 29 Q 4.0758 7.9329 117.4481 59.5739 28.4871 178.3558 30 N 4.3079 8.0110 119.1021 56.2145 39.0747 176.6590 31 L 4.0681 8.2472 120.5753 58.1263 41.7134 179.1486 32 F 4.2417 8.9699 120.7821 61.1290 39.3582 176.7789 33 I 3.3245 7.8404 118.6469 64.8705 37.1700 177.8901 34 N 4.2579 8.0161 116.1825 56.4939 38.3240 177.2606 35 F 3.8081 8.3480 122.0438 61.1708 39.4096 177.0163 36 C 3.9982 8.1996 116.6868 62.6886 27.9276 175.6844 37 L 3.8736 7.6565 120.4488 58.2651 41.3256 179.9475 38 I 3.6102 7.3826 118.7764 63.9325 36.8963 178.3548 39 L 3.8082 7.8977 121.5999 58.3453 42.0452 179.1241 40 I 3.7411 8.2503 119.9759 64.9974 36.9238 177.5971 41 C 4.1554 8.1368 117.9247 62.1732 27.6900 175.6474 42 L 3.9571 7.9314 122.4162 58.5432 41.6959 179.5206 43 L 4.0840 7.8982 119.0605 57.3232 41.6029 178.9552 44 L 3.9623 8.2502 118.5739 58.3694 41.6568 180.0333 45 I 3.7068 7.7654 119.3094 64.5518 36.8096 177.9149 46 C 4.0347 7.8077 116.2314 63.0251 28.3049 175.6787 47 I 3.8498 7.8175 120.4507 64.7433 36.7447 178.0901 48 I 3.6237 7.7499 120.0449 64.6734 36.8177 178.5398 49 V 3.6085 7.7966 117.5420 66.4254 31.1922 177.5415 50 M 4.2413 7.7266 117.5818 57.9765 31.9846 178.2848 51 L 4.0716 7.8952 120.9865 57.8401 41.8573 177.7336 *52 L 4.1407 7.7621 122.3672 54.3891 41.6405 179.6152 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 M 8.16 4.31 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 2 E 8.34 3.81 0.00 2.30 2.02 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 2.28 2.41 0.00 3 K 9.98 4.21 0.00 1.89 1.89 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.48 7.81 4 V 7.67 3.55 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 1.03 0.00 0.00 0.94 0.00 0.00 5 Q 8.18 4.29 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 6 Y 7.80 4.37 0.00 3.04 3.26 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 0.00 0.00 0.00 7 L 7.48 3.43 0.00 1.71 1.53 0.44 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.21 3.83 4.22 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 1.19 0.00 0.00 9 R 7.88 3.97 0.00 2.28 2.03 0.00 3.28 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 10 S 7.86 4.16 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.99 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 12 I 7.55 3.88 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.56 0.91 0.00 0.00 13 R 7.59 4.10 0.00 1.84 2.13 0.00 3.30 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 14 R 7.61 4.35 0.00 1.93 1.90 0.00 3.33 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 15 A 8.20 4.65 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 S 7.93 4.39 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.42 4.63 4.23 0.00 0.00 0.00 0.00 0.00 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 18 I 7.46 4.79 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.89 0.00 0.00 19 E 8.21 4.75 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 20 M 7.70 4.88 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 21 P 0.00 4.58 0.00 2.17 2.13 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 22 Q 7.77 3.49 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 23 Q 7.84 3.87 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 24 A 7.96 4.01 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 R 8.42 3.78 0.00 1.82 1.99 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 Q 7.46 3.95 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 27 K 8.12 3.94 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.67 7.81 28 L 8.47 4.02 0.00 1.92 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.93 4.08 0.00 2.37 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 30 N 8.01 4.31 0.00 2.86 2.88 0.00 0.00 7.32 8.03 0.00 0.00 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 L 8.25 4.07 0.00 1.93 1.81 0.97 1.31 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 32 F 8.97 4.24 0.00 3.13 3.32 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 33 I 7.84 3.32 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.87 0.00 0.00 34 N 8.02 4.26 0.00 2.77 2.86 0.00 0.00 7.15 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.35 3.81 0.00 3.27 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.00 0.00 2.79 2.74 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 37 L 7.66 3.87 0.00 1.73 1.67 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.38 3.61 1.44 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.73 0.00 0.00 39 L 7.90 3.81 0.00 1.87 1.83 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.25 3.74 1.83 0.00 0.00 0.83 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 0.65 0.90 0.00 0.00 41 C 8.14 4.16 0.00 3.07 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.93 3.96 0.00 1.70 1.75 0.84 1.04 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 43 L 7.90 4.08 0.00 1.87 1.66 0.93 0.65 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 44 L 8.25 3.96 0.00 1.80 1.74 0.91 0.75 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 45 I 7.77 3.71 2.02 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 1.51 0.68 0.90 0.00 0.00 46 C 7.81 4.03 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.82 3.85 1.96 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 1.64 0.80 0.91 0.00 0.00 48 I 7.75 3.62 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.91 0.00 0.00 49 V 7.80 3.61 2.24 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 0.91 0.00 0.00 0.99 0.00 0.00 50 M 7.73 4.24 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 51 L 7.90 4.07 0.00 1.72 1.73 0.92 0.78 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 *52 L 7.76 4.14 0.00 1.41 1.48 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.