NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8326 8.3549 109.7360 45.2298 0.0000 173.4245 2 K 4.2412 8.3542 120.5270 52.2721 33.0769 174.7669 3 K 4.2638 8.2878 123.9860 56.1789 34.8077 177.0244 4 S 4.6397 8.1213 115.9700 56.8195 66.4686 175.0652 5 K 3.8871 8.4238 121.4787 59.4871 31.7726 178.3448 6 A 3.9499 7.8944 120.4234 55.4989 18.3866 179.2952 7 T 3.8017 7.5449 114.3714 66.9236 68.6672 176.5716 8 K 3.8955 8.4125 121.5957 59.4787 32.1450 178.9324 9 K 3.9963 7.9107 118.4812 59.4357 31.9398 179.5852 10 R 3.9235 8.1694 118.3615 59.3512 30.0450 179.0915 11 L 3.9884 8.2840 118.7999 57.6040 41.5431 179.6073 12 A 3.9541 7.8593 120.6252 54.9702 18.3045 179.4803 13 K 3.8596 8.0289 118.1565 59.7552 32.0553 178.7647 14 L 4.1419 7.8251 117.9143 58.1048 41.7020 178.8345 15 D 4.4629 8.1165 117.8263 57.2535 40.8976 177.7982 16 N 4.3691 8.0001 117.0138 56.5035 39.0488 176.6433 17 Q 4.2116 8.5369 119.2853 57.8108 28.4825 176.7886 18 N 4.7856 7.4355 117.5767 52.9729 39.0769 174.4693 19 S 4.5900 7.1561 113.8512 56.7825 64.8782 173.2818 20 R 4.3405 7.9948 120.4559 54.4720 31.0970 175.8716 21 V 3.5445 8.1245 122.5598 61.9806 32.0015 174.1564 22 P 4.2430 0.0000 0.0000 62.9550 31.8381 176.6625 23 A 3.9681 8.9801 123.3573 55.4554 18.1950 180.1286 24 W 4.2785 8.2894 114.3024 59.7065 28.2029 178.4499 25 V 2.9302 6.7389 118.8271 65.2870 30.7376 178.0192 26 M 3.9820 7.7068 118.8902 58.2618 31.9148 178.6458 27 L 4.0103 7.7803 118.6588 57.7233 41.7586 179.3400 28 K 4.1782 8.2079 118.3575 58.4994 32.1822 177.8323 29 T 4.4270 7.3566 107.0560 60.2761 69.2625 173.5944 30 D 4.3031 8.6223 119.2091 55.3071 39.2894 170.1957 31 E 3.7425 7.9228 123.2245 55.7430 30.2366 174.6486 *35 R 3.8267 8.3193 120.2606 56.0349 31.1242 174.5937 36 N 4.6332 8.4084 121.6235 52.1455 38.9244 173.9081 37 H 4.5136 8.5317 122.2528 56.9473 29.0642 176.3392 38 K 4.5703 8.1096 118.7935 55.9416 32.2991 176.4324 39 R 3.9652 7.9782 118.8382 56.1817 30.3055 176.1440 40 R 4.4484 8.3872 122.5235 54.5208 32.1485 174.0631 41 H 4.6366 8.5834 125.7777 54.9549 30.8085 176.0597 42 W 4.2269 8.4596 122.8470 59.3086 28.3912 177.4525 43 R 3.7206 6.0217 117.8791 58.5105 29.6730 177.6849 44 R 3.9141 7.6677 114.7268 58.0704 30.2602 176.0045 45 N 4.9831 7.7727 113.9386 51.2004 41.2760 173.1728 46 D 4.7305 8.1985 117.6843 52.8156 43.9332 175.1831 47 T 4.3323 8.3495 116.4553 60.6467 70.5371 173.2372 48 D 4.6169 8.1857 121.8591 53.7798 42.4800 176.8206 49 E 4.1672 8.6631 118.4126 57.0027 28.8636 174.9878 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 G 8.35 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 2 K 8.35 4.24 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.29 4.26 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 4 S 8.12 4.64 0.00 4.06 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.42 3.89 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.89 3.95 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 7 T 7.54 3.80 4.49 0.00 0.00 0.00 0.00 0.00 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 8 K 8.41 3.90 0.00 1.88 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 7.91 4.00 0.00 2.08 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 10 R 8.17 3.92 0.00 2.02 1.98 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 L 8.28 3.99 0.00 1.67 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.86 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.03 3.86 0.00 1.86 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.83 4.14 0.00 1.87 1.75 0.94 0.97 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 15 D 8.12 4.46 0.00 2.82 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 16 N 8.00 4.37 0.00 2.79 3.00 0.00 0.00 7.26 6.37 0.00 0.00 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 Q 8.54 4.21 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 18 N 7.44 4.79 0.00 2.93 2.93 0.00 0.00 7.12 7.53 0.00 0.00 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 7.16 4.59 0.00 4.02 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 20 R 7.99 4.34 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 21 V 8.12 3.54 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.85 0.00 0.00 22 P 0.00 4.24 0.00 2.10 2.31 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.01 0.00 23 A 8.98 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.29 4.28 0.00 3.63 3.36 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 25 V 6.74 2.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.81 0.00 0.00 26 M 7.71 3.98 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.84 0.00 27 L 7.78 4.01 0.00 1.91 1.76 0.99 0.60 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 28 K 8.21 4.18 0.00 2.07 1.89 0.00 2.22 0.00 0.00 2.08 0.00 0.00 3.21 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.57 7.81 29 T 7.36 4.43 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 30 D 8.62 4.30 0.00 2.83 2.75 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 0.00 0.00 0.00 31 E 7.92 3.74 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 *35 R 8.32 3.83 0.00 1.73 1.65 0.00 3.21 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.41 4.63 0.00 2.60 2.69 0.00 0.00 7.24 7.89 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 37 H 8.53 4.51 0.00 3.16 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.11 4.57 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.98 3.97 0.00 1.79 1.88 0.00 3.18 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 40 R 8.39 4.45 0.00 1.73 1.82 0.00 3.26 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 41 H 8.58 4.64 0.00 3.16 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.46 4.23 0.00 3.52 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.02 3.72 0.00 0.67 1.17 0.00 2.42 0.00 0.00 2.87 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.19 0.00 44 R 7.67 3.91 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.77 4.98 0.00 2.93 2.73 0.00 0.00 6.68 7.45 0.00 0.00 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 D 8.20 4.73 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.33 4.26 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 1.24 0.00 0.00 48 D 8.19 4.62 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 49 E 8.66 4.17 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 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.