NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2766 8.1127 120.8600 56.6000 32.3658 177.2507 2 M 3.8461 8.0032 116.9371 57.7149 32.0920 176.3867 3 K 4.5282 8.1158 120.7154 58.4483 32.9032 177.8612 4 Q 3.9371 8.0874 119.7084 59.1470 28.9220 178.0579 5 L 4.1633 8.0407 119.6505 57.1789 41.8406 179.0712 6 E 3.9716 8.3114 118.8336 59.4996 29.3845 179.1157 7 D 4.3554 8.3549 119.1045 57.1647 40.9083 178.7030 8 K 3.9636 8.0704 120.4730 59.4741 32.1505 179.2863 9 V 3.6875 8.0374 119.5861 64.7791 31.3595 178.2755 10 E 3.9365 8.1430 119.0142 59.0564 29.3906 178.8337 11 E 3.9509 8.3301 119.3889 59.3840 29.6397 178.9814 12 L 4.0658 8.0615 118.9827 57.7227 41.6734 179.4126 13 L 4.0054 8.1964 119.1583 57.7586 41.5129 179.5585 14 S 4.1622 8.2151 113.2759 61.1747 62.3544 176.2823 15 K 4.0265 8.1013 120.8074 59.4740 31.7997 179.1235 16 A 4.0076 8.2850 121.1368 55.2195 18.3018 178.8537 17 Y 4.1796 8.1975 118.0782 61.5055 38.8541 178.3886 18 H 3.9563 8.3524 116.7597 58.5856 28.6424 177.8907 19 L 4.0077 8.0863 121.0919 57.6182 41.4150 179.1996 20 E 3.8889 8.2462 118.6801 59.3895 29.3772 179.0072 21 N 4.1450 7.7489 116.4182 56.3362 38.5336 177.0002 22 E 3.8724 8.0535 120.4866 59.1796 29.7336 178.8284 23 V 3.5301 7.9711 118.2113 66.0878 31.6603 177.8329 24 A 3.9870 8.0626 120.3109 55.2397 18.1128 179.8074 25 R 3.8732 8.0966 116.5510 59.4847 30.1699 179.3760 26 L 3.9979 8.3141 119.1006 57.5192 41.5722 179.7084 27 K 4.0066 8.2016 118.6965 59.2435 31.8861 179.5043 28 K 3.9668 7.9602 118.5042 59.5471 31.7934 179.3379 29 L 4.0304 7.9902 118.4632 57.6083 41.6483 179.3714 30 V 3.9429 7.6619 116.7809 61.7579 31.8617 176.5198 31 G 4.0175 7.4645 106.3158 45.4467 0.0000 174.2025 32 E 4.0398 8.1016 122.1436 56.5473 30.2840 177.7851 *33 R 4.1415 8.3726 118.6998 56.6008 30.1652 175.9093 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 R 8.11 4.28 0.00 1.90 1.99 0.00 3.26 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 8.00 3.85 0.00 2.25 2.04 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 2.67 2.71 0.00 3 K 8.12 4.53 0.00 1.91 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.41 7.81 4 Q 8.09 3.94 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 L 8.04 4.16 0.00 1.75 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.31 3.97 0.00 2.15 2.00 0.00 0.00 0.00 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 2.52 0.00 7 D 8.35 4.36 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.07 3.96 0.00 1.89 1.94 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 V 8.04 3.69 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 0.78 0.00 0.00 0.94 0.00 0.00 10 E 8.14 3.94 0.00 2.20 2.04 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 2.55 2.45 0.00 11 E 8.33 3.95 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 12 L 8.06 4.07 0.00 1.76 1.71 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.20 4.01 0.00 1.75 1.73 0.96 0.68 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 14 S 8.22 4.16 0.00 3.94 4.06 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 0.00 0.00 0.00 0.00 15 K 8.10 4.03 0.00 2.09 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 16 A 8.28 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 4.18 0.00 3.03 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 18 H 8.35 3.96 0.00 3.26 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.09 4.01 0.00 1.82 1.69 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.25 3.89 0.00 2.04 1.92 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 2.31 2.44 0.00 21 N 7.75 4.14 0.00 2.71 2.74 0.00 0.00 6.68 7.74 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 22 E 8.05 3.87 0.00 2.06 2.04 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 2.29 2.34 0.00 23 V 7.97 3.53 2.20 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 0.93 0.00 0.00 0.91 0.00 0.00 24 A 8.06 3.99 1.33 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 0.00 0.00 25 R 8.10 3.87 0.00 2.01 1.97 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 26 L 8.31 4.00 0.00 1.65 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.20 4.01 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 28 K 7.96 3.97 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.62 7.81 29 L 7.99 4.03 0.00 1.75 1.73 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.66 3.94 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 0.76 0.00 0.00 0.93 0.00 0.00 31 G 7.46 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.10 4.04 0.00 2.29 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 2.34 2.12 0.00 *33 R 8.37 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.