NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2264 0.0000 0.0000 61.7173 32.5478 173.9618 3 K 3.6222 8.5621 120.1592 55.8032 31.2850 174.0862 4 M 4.0588 9.3040 126.9201 55.8018 33.3912 176.2029 5 K 4.5029 8.2898 122.0012 54.7549 33.9398 176.6802 6 T 4.0138 8.2738 111.7158 62.4678 69.2026 174.0034 7 H 4.6561 8.3128 122.7259 54.3944 28.5299 176.0987 8 K 4.4066 8.2829 122.7159 56.0755 32.5661 178.7606 9 G 3.5600 9.4331 108.4479 46.8242 0.0000 175.3452 10 A 4.1224 8.9355 129.0517 53.5719 19.1786 179.1892 11 K 3.5303 8.2512 117.4298 59.0333 32.1244 177.6245 12 K 4.3638 8.1766 117.3617 56.8013 32.7211 177.1989 13 R 4.4988 7.8650 113.5137 55.5540 31.3379 175.9768 14 V 4.4318 8.7080 119.5066 59.6512 33.2749 175.2260 15 K 4.6259 9.2451 125.9853 54.5531 34.7351 174.2295 16 I 4.9647 8.3711 127.0371 59.5283 39.9036 174.8924 17 T 4.5236 8.4421 119.3448 59.9743 71.0888 175.5558 18 A 4.0571 8.8548 124.8218 55.8868 18.1608 179.2757 19 S 4.3053 8.1324 106.9381 58.7401 62.5166 174.5025 20 G 3.8254 8.6927 109.0612 46.2711 0.0000 173.9438 21 K 4.1431 8.1206 120.4917 55.1414 33.1877 176.5628 22 V 4.2597 8.2616 126.2449 62.6565 32.2771 175.3511 23 V 5.3100 9.7343 127.4255 61.9571 35.6400 173.1498 24 A 4.6955 8.2619 126.4903 51.2777 23.0174 175.0645 25 M 4.2771 8.4089 116.4999 55.1913 33.0028 175.9301 26 K 4.7142 8.2664 117.6875 55.2694 35.5762 175.7495 27 T 4.2349 8.6867 111.9981 60.4414 69.9331 173.0373 28 G 3.8476 8.8305 121.0185 45.9386 0.0000 175.1687 29 K 4.2063 7.6509 116.7338 57.4223 32.1183 177.6685 30 R 4.3049 8.2495 119.1419 56.8779 30.3469 177.3932 31 H 5.7157 8.1879 125.6517 56.2042 27.9398 175.4900 32 L 3.9514 7.9121 120.8479 58.0616 41.4825 177.1818 33 N 4.3976 8.0257 114.7475 53.2367 39.0837 173.9711 34 W 4.9015 8.0406 126.8737 56.0198 28.3339 173.6650 35 Q 4.9526 6.9101 129.0487 55.5802 30.2992 172.2694 36 K 4.2359 7.5638 123.0685 54.8936 36.1982 175.5365 37 S 4.1889 8.4413 117.3882 58.1070 63.2646 174.7394 38 G 3.6328 8.3822 109.0356 48.3900 0.0000 175.8099 39 K 3.9284 8.0177 120.8068 58.7082 31.9753 177.7168 40 E 3.9932 6.8206 116.7997 58.4559 29.8479 178.0620 41 I 3.6917 7.4158 121.7135 64.6493 38.2487 177.3484 42 R 3.7806 7.5222 117.9846 60.2480 30.5779 177.1619 43 Q 4.3612 7.8234 117.6546 56.5830 27.3959 179.1050 44 K 4.5603 7.5614 116.9691 53.9907 32.7913 176.0596 45 G 4.2178 7.4322 108.8340 43.2158 0.0000 169.8762 46 R 4.7634 8.1504 120.1026 54.0441 31.7701 175.5350 47 K 4.7674 8.4842 119.7104 54.9174 36.5588 175.5565 48 F 5.1160 8.7651 119.6749 58.1114 40.0163 174.2346 49 V 4.3861 7.4812 118.7562 62.2340 34.5006 172.7119 50 L 4.1132 8.3722 120.3637 55.4398 44.4126 172.7519 51 A 3.9284 8.2368 128.5428 53.8780 17.5130 179.9878 52 K 3.9546 7.8015 114.9063 59.0730 32.6259 177.2798 53 P 5.0311 0.0000 0.0000 64.8765 31.0205 177.6409 54 E 3.9027 7.5652 117.9604 58.7001 29.5611 178.0901 55 A 4.2552 8.1100 120.8404 54.9206 19.1355 178.8276 56 E 3.7502 7.9736 116.0829 60.0866 29.4956 179.6491 57 R 3.9209 8.0252 117.0722 59.6531 30.0535 178.7800 58 I 4.1037 7.6813 115.3346 62.3533 37.1844 176.4973 59 K 4.7661 8.3075 118.2678 55.9946 33.9942 176.8373 60 L 5.1108 8.6331 119.5518 53.6903 42.3093 177.9068 61 L 3.9740 7.9482 119.2106 57.2853 40.9567 179.5815 62 L 3.9193 7.8734 121.3862 56.4338 42.4058 177.3911 63 P 4.2100 0.0000 0.0000 63.6106 31.4275 176.1818 64 Y 3.3957 9.5456 124.1417 57.1335 39.4988 169.9028 *65 E 4.1630 8.5051 115.8026 56.0874 30.5285 173.7986 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 2 P 0.00 4.23 0.00 2.20 2.17 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 K 8.56 3.62 0.00 1.81 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 4 M 9.30 4.06 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 5 K 8.29 4.50 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 6 T 8.27 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 7 H 8.31 4.66 0.00 3.22 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.28 4.41 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 9 G 9.43 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.94 4.12 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 11 K 8.25 3.53 0.00 2.02 1.79 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 12 K 8.18 4.36 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.71 7.81 13 R 7.87 4.50 0.00 1.90 2.03 0.00 3.01 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 14 V 8.71 4.43 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 0.73 0.00 0.00 0.93 0.00 0.00 15 K 9.25 4.63 0.00 1.85 1.88 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 16 I 8.37 4.96 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.92 0.00 0.00 17 T 8.44 4.52 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 A 8.85 4.06 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 19 S 8.13 4.31 0.00 3.89 3.89 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 0.00 0.00 0.00 20 G 8.69 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.12 4.14 0.00 1.77 1.66 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.36 7.81 22 V 8.26 4.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 23 V 9.73 5.31 2.16 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 0.80 0.00 0.00 1.18 0.00 0.00 24 A 8.26 4.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.41 4.28 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 26 K 8.27 4.71 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.32 7.81 27 T 8.69 4.23 4.25 0.00 0.00 0.00 0.00 0.00 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 28 G 8.83 3.85 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 0.00 0.00 0.00 29 K 7.65 4.21 0.00 1.88 1.93 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 30 R 8.25 4.30 0.00 1.87 2.15 0.00 3.50 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 31 H 8.19 5.72 0.00 3.40 3.47 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.91 3.95 0.00 1.75 1.88 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.03 4.40 0.00 2.67 2.81 0.00 0.00 6.85 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.04 4.90 0.00 3.42 3.33 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 35 Q 6.91 4.95 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 36 K 7.56 4.24 0.00 1.76 1.54 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.16 7.81 37 S 8.44 4.19 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.02 3.93 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 40 E 6.82 3.99 0.00 2.13 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 2.33 2.23 0.00 41 I 7.42 3.69 1.84 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 1.16 0.73 1.00 0.00 0.00 42 R 7.52 3.78 0.00 1.82 2.03 0.00 3.31 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 43 Q 7.82 4.36 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 44 K 7.56 4.56 0.00 1.80 1.71 0.00 1.57 0.00 0.00 1.99 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.45 7.81 45 G 7.43 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 0.00 0.00 0.00 0.00 46 R 8.15 4.76 0.00 1.72 1.89 0.00 3.22 0.00 0.00 3.96 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 47 K 8.48 4.77 0.00 1.85 1.85 0.00 1.44 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.84 7.81 48 F 8.77 5.12 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 4.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.04 0.00 0.00 50 L 8.37 4.11 0.00 1.49 1.43 0.86 0.94 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 51 A 8.24 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 3.95 0.00 1.98 1.80 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.54 7.81 53 P 0.00 5.03 0.00 2.26 2.27 0.00 3.91 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 2.02 1.79 0.00 54 E 7.57 3.90 0.00 2.10 2.16 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 2.29 2.30 0.00 55 A 8.11 4.26 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 56 E 7.97 3.75 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 57 R 8.03 3.92 0.00 1.84 1.95 0.00 3.06 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 58 I 7.68 4.10 1.96 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 1.66 0.67 0.91 0.00 0.00 59 K 8.31 4.77 0.00 1.85 1.74 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.36 7.81 60 L 8.63 5.11 0.00 1.53 1.61 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.95 3.97 0.00 1.93 1.79 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.87 3.92 0.00 1.70 1.78 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.21 0.00 2.22 2.22 0.00 3.99 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.99 0.00 64 Y 9.55 3.40 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 E 8.51 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.