NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3249 8.2649 123.5821 51.6095 20.7618 177.2707 3 S 4.0709 7.9249 112.3303 56.8925 63.2625 171.6878 4 K 4.3380 8.1719 121.7768 56.2645 35.5789 173.9426 5 K 4.4894 8.5878 120.5177 54.4462 33.6784 175.1942 6 V 4.4404 8.3124 125.7036 59.9918 33.4578 174.6250 7 H 4.9042 8.7133 121.4803 54.4680 32.1534 172.1560 8 Q 4.5482 8.5866 126.5975 54.2078 32.1308 173.7240 9 I 4.5134 8.3068 124.2251 59.4768 39.6101 174.6049 10 N 4.8969 8.6246 122.3027 51.2849 40.6738 174.3737 11 V 4.0885 8.1406 121.5540 60.9321 33.9437 174.0656 12 K 4.4680 9.0167 128.2081 53.6538 34.3807 175.4209 13 G 4.0785 7.9003 111.0481 46.4692 0.0000 170.7113 14 F 4.4604 8.6536 123.5701 57.8455 40.3352 174.7291 15 F 5.2664 8.1150 129.1311 57.3126 40.1172 173.9681 16 D 4.3911 8.3461 124.7995 52.6140 44.2523 175.0918 *18 D 4.5874 8.6918 119.8534 54.0209 42.0939 176.6416 19 V 3.8869 7.2143 115.7847 64.2930 32.8986 174.9337 *21 E 4.5327 7.5271 117.9773 56.2464 31.6333 174.1788 22 V 5.0321 9.2671 122.4319 61.4883 34.8028 174.2926 23 T 5.1230 9.1365 121.8727 60.4779 70.3824 172.0389 24 E 4.8778 9.0632 127.1216 55.0585 32.2974 175.4968 25 Q 4.4944 8.6231 124.0137 54.7644 27.9868 175.0993 26 T 4.3745 8.3927 121.9351 62.3104 69.6668 175.0242 27 K 4.1810 8.5855 121.2284 59.6209 33.1353 178.2325 28 E 4.1435 8.3515 116.1859 57.8179 30.4786 175.5788 29 A 4.4340 7.5004 120.5407 49.8716 22.4064 174.1772 30 E 4.8151 7.9686 119.9111 54.6040 29.7610 174.4741 31 Y 4.2280 8.0941 123.6232 57.6784 39.5968 174.8506 32 T 4.8798 8.0767 118.4945 62.1023 71.7551 172.7737 33 Y 4.9870 9.5375 125.0724 56.0905 41.4803 174.9554 34 D 5.1300 8.7212 122.7671 51.8543 40.3759 176.8865 35 F 4.5256 9.2107 127.2370 61.0597 39.3002 176.5878 36 K 3.9032 8.2501 118.8905 59.4821 31.8285 178.0181 37 E 3.9181 8.1822 117.9622 59.3747 29.9880 178.3648 38 I 3.8566 7.5622 119.2052 64.5666 37.2250 177.9504 39 L 3.9087 8.2648 121.6165 58.3314 41.7873 179.2119 40 S 4.1059 8.1867 113.9706 61.3076 62.5928 175.9422 41 E 3.8512 7.8537 121.4094 58.1235 29.2075 177.0953 42 F 4.6724 8.0706 115.9785 57.1246 40.4951 174.9895 43 N 4.2449 7.7200 119.9177 55.7276 38.7806 174.4750 44 G 4.0762 10.0335 113.5844 45.0045 0.0000 172.2872 45 K 4.7123 7.4539 116.7655 54.5386 35.8747 175.6602 46 N 4.5587 8.5529 117.1336 53.4164 39.0004 175.2475 47 V 4.4499 7.9706 114.3034 59.8941 35.8968 174.6023 48 S 4.5861 8.3891 117.2804 56.9144 64.3760 173.8444 49 I 4.2602 8.1948 126.5598 59.7903 38.3594 175.2108 50 T 4.4704 8.2903 121.6878 61.5302 70.7242 173.8916 51 V 4.1211 8.2105 124.6460 60.9692 33.1903 174.1902 52 K 4.5073 8.3846 128.0828 54.3765 34.2169 175.0773 53 E 4.4861 8.5374 125.1441 54.4250 31.7565 174.0460 54 E 4.6752 8.7838 124.2199 54.4810 31.8147 174.9059 55 N 5.1367 8.4515 119.5541 51.5117 41.8918 173.3767 56 E 4.5201 8.4044 117.7303 55.5650 31.1637 175.5738 57 L 4.4581 8.0837 120.6691 52.5264 42.8485 175.1948 58 P 4.1960 0.0000 0.0000 63.2014 31.3175 176.8793 59 V 4.1331 8.1397 117.3107 60.5094 32.9715 175.7250 60 K 4.6442 8.2960 115.0135 57.0450 35.3446 176.3900 61 G 4.1439 7.6861 107.6998 44.5815 0.0000 172.5478 62 V 4.5508 8.0730 122.6758 61.3421 34.9539 175.0130 63 E 4.2708 8.4781 122.3858 57.0001 30.3060 175.2133 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 A 8.26 4.32 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 3 S 7.92 4.07 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.17 4.34 0.00 1.81 1.75 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.39 7.81 5 K 8.59 4.49 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.38 7.81 6 V 8.31 4.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 7 H 8.71 4.90 0.00 3.05 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.59 4.55 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 9 I 8.31 4.51 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.25 0.96 0.00 0.00 10 N 8.62 4.90 0.00 2.59 2.65 0.00 0.00 6.78 7.68 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 11 V 8.14 4.09 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 0.97 0.00 0.00 12 K 9.02 4.47 0.00 1.68 1.64 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 G 7.90 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.65 4.46 0.00 3.20 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.12 5.27 0.00 2.68 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 16 D 8.35 4.39 0.00 2.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 D 8.69 4.59 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 3.89 2.10 0.00 0.00 0.00 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 1.01 0.00 0.00 *21 E 7.53 4.53 0.00 2.09 2.12 0.00 0.00 0.00 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 2.53 0.00 22 V 9.27 5.03 2.27 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 1.00 0.00 0.00 0.82 0.00 0.00 23 T 9.14 5.12 4.32 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 1.43 0.00 0.00 24 E 9.06 4.88 0.00 2.27 2.49 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 2.62 2.54 0.00 25 Q 8.62 4.49 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 26 T 8.39 4.37 4.72 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 K 8.59 4.18 0.00 1.88 1.97 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.39 7.81 28 E 8.35 4.14 0.00 2.13 2.14 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 2.33 2.45 0.00 29 A 7.50 4.43 0.78 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 0.00 0.00 30 E 7.97 4.82 0.00 1.86 1.74 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 2.14 2.42 0.00 31 Y 8.09 4.23 0.00 2.75 2.33 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 32 T 8.08 4.88 4.19 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 0.00 0.00 0.00 1.25 0.00 0.00 33 Y 9.54 4.99 0.00 2.95 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 34 D 8.72 5.13 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.21 4.53 0.00 3.29 3.35 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 36 K 8.25 3.90 0.00 1.94 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.53 7.81 37 E 8.18 3.92 0.00 2.58 2.01 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 2.35 2.42 0.00 38 I 7.56 3.86 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 1.03 0.00 0.00 39 L 8.26 3.91 0.00 1.59 1.50 0.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.19 4.11 0.00 4.08 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 0.00 41 E 7.85 3.85 0.00 1.82 1.68 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 1.82 2.12 0.00 42 F 8.07 4.67 0.00 3.29 2.99 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 0.00 0.00 0.00 43 N 7.72 4.24 0.00 2.69 2.83 0.00 0.00 7.45 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 44 G 10.03 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.45 4.71 0.00 1.87 1.78 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.59 7.81 46 N 8.55 4.56 0.00 2.75 2.79 0.00 0.00 6.68 7.68 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 47 V 7.97 4.45 1.88 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 0.73 0.00 0.00 0.86 0.00 0.00 48 S 8.39 4.59 0.00 3.75 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.26 1.82 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 1.28 0.41 0.88 0.00 0.00 50 T 8.29 4.47 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 51 V 8.21 4.12 2.01 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 0.64 0.00 0.00 0.84 0.00 0.00 52 K 8.38 4.51 0.00 1.68 1.59 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.35 7.81 53 E 8.54 4.49 0.00 1.86 1.74 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 2.17 2.25 0.00 54 E 8.78 4.68 0.00 2.07 1.88 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 2.15 2.28 0.00 55 N 8.45 5.14 0.00 2.70 2.79 0.00 0.00 7.02 7.66 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 56 E 8.40 4.52 0.00 1.96 1.88 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 2.27 2.27 0.00 57 L 8.08 4.46 0.00 1.63 1.59 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.20 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 59 V 8.14 4.13 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 0.80 0.00 0.00 0.93 0.00 0.00 60 K 8.30 4.64 0.00 1.80 1.84 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.43 7.81 61 G 7.69 4.14 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 0.00 0.00 0.00 62 V 8.07 4.55 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 0.88 0.00 0.00 0.93 0.00 0.00 63 E 8.48 4.27 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.