NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8603 8.1827 119.4036 57.1420 39.7717 174.8642 2 V 3.5403 8.5363 126.8707 64.1817 31.2525 175.9749 3 N 4.3835 9.0760 117.8028 56.3189 37.5834 176.7070 4 Q 4.0429 8.1473 120.1394 58.5613 28.3609 177.8058 5 H 4.2077 8.2257 118.9098 59.3400 29.3688 177.3702 6 L 3.9773 8.0702 120.5421 57.9102 41.4627 178.8569 7 C 4.2098 8.2735 118.7680 62.7195 31.5132 176.0391 8 G 3.6516 8.2948 106.8964 47.4914 0.0000 175.5889 9 S 3.9663 7.6612 114.8157 61.6553 62.3847 176.0033 10 H 4.1438 7.8493 118.0558 58.6557 28.3833 177.7739 11 L 3.9585 8.1808 121.2803 57.8486 41.3518 179.9827 12 V 3.2756 7.5036 112.3611 64.3229 31.3342 178.5251 13 E 3.9486 7.9561 118.0484 59.1773 29.2002 179.2986 14 A 3.9907 7.8375 120.8901 55.0770 18.3696 179.6831 15 L 3.6685 8.0072 117.9467 57.6974 41.1424 178.9118 16 Y 4.2877 7.9590 119.7103 60.9460 38.5183 178.4540 17 L 3.8703 7.5314 117.8670 57.7222 41.8090 179.4793 18 V 3.6929 7.6309 117.0958 66.1681 31.9121 177.6602 19 C 4.2882 8.4622 116.9578 60.3966 27.9639 175.5935 20 G 3.7467 8.2267 108.1560 46.5766 0.0000 177.6993 21 E 4.0950 8.9336 125.0127 58.5188 29.4672 178.1222 22 R 3.8741 7.7870 117.6312 57.2673 30.2745 178.0365 23 G 3.8217 8.5856 105.0812 45.2666 0.0000 171.8971 24 F 4.7658 7.2704 111.0242 56.0873 40.0756 172.9629 25 F 4.3733 8.8645 120.3636 55.8164 40.3783 174.7785 26 Y 4.8064 8.8909 127.0494 56.0611 39.3981 174.9472 27 T 4.3187 7.9818 117.9609 58.8732 70.1641 172.2888 28 P 3.8780 0.0000 0.0000 65.2714 31.8372 177.2345 *29 K 4.1054 7.9414 124.8792 54.7822 32.3190 180.6803 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 F 8.18 4.86 0.00 3.14 3.22 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 2 V 8.54 3.54 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 1.11 0.00 0.00 0.95 0.00 0.00 3 N 9.08 4.38 0.00 2.97 3.10 0.00 0.00 6.28 7.51 0.00 0.00 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 Q 8.15 4.04 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 5 H 8.23 4.21 0.00 3.32 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.07 3.98 0.00 1.93 1.75 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.27 4.21 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.66 3.97 0.00 3.79 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 4.14 0.00 3.35 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.18 3.96 0.00 1.77 1.66 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.50 3.28 1.86 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 0.08 0.00 0.00 0.86 0.00 0.00 13 E 7.96 3.95 0.00 2.06 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 2.25 2.46 0.00 14 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 15 L 8.01 3.67 0.00 0.85 0.36 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.96 4.29 0.00 3.31 3.19 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 0.00 17 L 7.53 3.87 0.00 1.75 1.70 1.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.63 3.69 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 0.80 0.00 0.00 0.95 0.00 0.00 19 C 8.46 4.29 0.00 3.23 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.75 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 0.00 0.00 0.00 21 E 8.93 4.10 0.00 1.95 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 2.28 2.30 0.00 22 R 7.79 3.87 0.00 1.94 2.01 0.00 3.25 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 23 G 8.59 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.27 4.77 0.00 3.22 3.06 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 25 F 8.86 4.37 0.00 3.21 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 26 Y 8.89 4.81 0.00 3.23 3.10 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 0.00 0.00 0.00 0.00 27 T 7.98 4.32 4.16 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 0.00 0.00 1.22 0.00 0.00 28 P 0.00 3.88 0.00 2.17 2.18 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 *29 K 7.94 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.