NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3620 8.1133 119.7067 56.6440 32.4018 177.7284 2 M 4.2866 7.6828 116.9599 55.1545 31.3216 176.7660 *4 Q 4.2690 9.0114 120.6042 56.2212 32.0227 176.9085 5 I 3.8847 8.0291 118.5535 64.4714 37.3110 179.2016 6 E 4.3148 8.2127 120.8689 56.1822 28.7446 178.6950 *8 K 4.2878 8.1742 117.9720 56.0261 34.1960 177.5969 9 L 4.1228 8.2124 118.9539 57.7352 41.8301 178.5054 10 E 4.3439 7.9763 118.0858 56.7692 29.2087 178.4248 *12 I 4.0727 7.8851 118.9111 60.8041 39.2558 176.9815 13 L 4.0324 8.2493 122.2569 58.1980 42.3149 179.5166 14 S 4.6598 8.1128 112.0547 58.5691 61.5724 175.6322 *16 L 4.2524 7.9864 120.2904 54.4976 43.4626 178.1415 17 Y 4.3106 8.0400 116.1600 61.0984 38.1964 177.1438 18 H 4.3850 8.1659 119.4553 56.4380 29.5502 177.0476 *20 E 4.2646 8.5105 120.4686 56.7646 31.4570 178.0421 21 N 4.5845 8.1794 115.6487 55.3484 38.0794 178.7755 22 E 4.0319 8.1019 119.4436 56.2025 29.0498 179.0000 *24 A 4.2953 8.1071 122.7285 52.3893 20.4188 179.2269 25 R 4.1398 7.9642 114.7245 59.2195 30.7160 177.8722 26 I 3.7698 7.6372 119.4112 61.3735 37.0707 177.8876 *28 K 4.2167 8.1013 122.2932 56.4698 33.9019 176.4312 29 L 4.2297 7.6043 116.1296 56.6512 41.8116 177.7392 30 L 4.3252 7.9818 118.9042 55.8471 43.1766 176.9708 *32 E 4.1515 8.0771 118.4963 56.0093 30.3597 180.3028 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 4.36 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.68 4.29 0.00 2.16 2.07 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 2.69 2.62 0.00 *4 Q 9.01 4.27 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 I 8.03 3.88 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 0.91 0.00 0.00 6 E 8.21 4.31 0.00 2.00 1.91 0.00 0.00 0.00 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 2.29 0.00 *8 K 8.17 4.29 0.00 1.94 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.42 7.81 9 L 8.21 4.12 0.00 1.90 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.98 4.34 0.00 2.17 1.91 0.00 0.00 0.00 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 2.35 0.00 *12 I 7.89 4.07 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.90 0.00 0.00 13 L 8.25 4.03 0.00 1.83 1.93 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.11 4.66 0.00 4.06 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 *16 L 7.99 4.25 0.00 1.62 1.55 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.04 4.31 0.00 3.24 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.39 0.00 3.26 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.51 4.26 0.00 2.25 2.13 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 2.24 2.31 0.00 21 N 8.18 4.58 0.00 2.67 2.82 0.00 0.00 7.13 7.78 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 22 E 8.10 4.03 0.00 1.94 1.94 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 2.22 2.22 0.00 *24 A 8.11 4.30 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 25 R 7.96 4.14 0.00 2.04 1.98 0.00 3.37 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 26 I 7.64 3.77 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.91 0.00 0.00 *28 K 8.10 4.22 0.00 1.74 2.03 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 29 L 7.60 4.23 0.00 1.90 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.98 4.33 0.00 1.69 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.08 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.