NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3548 8.1133 119.7064 56.5698 32.5504 177.5688 2 M 3.9552 7.9572 117.3147 57.3177 31.8550 177.0146 3 K 4.2882 8.6882 122.0153 58.9695 32.8625 178.3830 4 Q 3.9771 8.0247 117.8041 59.0489 28.7558 178.4002 5 I 3.6841 8.1645 121.0571 64.6531 37.0509 177.9872 6 E 3.9508 8.1380 118.8530 59.6998 29.3661 178.9583 7 D 4.4561 8.0618 118.6073 57.7428 40.9722 179.5447 8 K 4.0120 8.2229 118.5513 59.2709 31.9759 179.3584 9 L 3.9906 7.9939 119.3055 58.0308 41.5391 179.5359 10 E 3.9656 8.2384 118.3861 59.2685 29.1418 178.9471 11 E 3.9240 8.1007 118.5334 59.3437 29.7470 178.7492 12 I 3.8471 7.5618 118.7300 64.4118 37.2783 178.0843 13 L 4.0293 7.8646 118.6905 57.3400 42.7380 179.2877 14 S 4.4198 7.8432 115.1860 58.8406 58.9135 173.5261 *16 Y 4.9059 7.4204 123.1607 58.4720 40.4017 177.4843 17 H 4.1739 8.5414 118.2816 59.7009 29.5534 176.9514 18 I 3.5927 7.6870 120.6236 64.3547 37.0636 177.7685 19 E 3.9622 8.2672 118.9382 59.8921 29.3404 179.2991 20 N 4.4028 8.6228 116.5319 56.3352 38.6179 177.4319 21 E 3.9958 8.4426 120.3069 59.3137 29.4546 179.4444 22 L 4.0061 8.2736 119.2130 57.6047 41.7473 179.3269 23 A 3.9912 8.1919 120.8940 55.0049 18.2120 179.5756 24 R 3.8471 8.1079 117.2565 59.6194 30.1356 178.7889 25 I 3.6586 7.7915 119.5051 64.1771 37.1081 177.8897 26 K 3.8084 8.0849 120.5616 59.7686 31.8215 178.5162 27 K 3.9046 7.8468 117.6614 59.6972 31.8276 179.3493 28 L 3.9801 8.0286 117.9141 57.7019 41.5857 179.1870 29 L 4.2234 7.9382 117.5044 55.4868 41.5467 178.0838 30 G 3.7484 7.9615 107.0838 45.4575 0.0000 173.2981 31 E 4.0617 8.0330 125.7599 56.1967 31.1642 174.0665 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 4.35 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.30 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 7.96 3.96 0.00 2.14 2.11 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 2.65 0.00 3 K 8.69 4.29 0.00 1.78 1.80 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.33 7.81 4 Q 8.02 3.98 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 I 8.16 3.68 2.06 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 1.52 1.04 0.91 0.00 0.00 6 E 8.14 3.95 0.00 2.21 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 2.34 2.45 0.00 7 D 8.06 4.46 0.00 2.97 2.74 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 0.00 0.00 0.00 8 K 8.22 4.01 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.72 7.81 9 L 7.99 3.99 0.00 1.88 1.72 0.92 0.69 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 10 E 8.24 3.97 0.00 2.19 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 2.56 2.47 0.00 11 E 8.10 3.92 0.00 2.05 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 2.32 2.35 0.00 12 I 7.56 3.85 2.01 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 1.50 0.73 0.86 0.00 0.00 13 L 7.86 4.03 0.00 1.77 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.84 4.42 0.00 3.99 3.86 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 Y 7.42 4.91 0.00 3.11 2.97 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 0.00 0.00 0.00 17 H 8.54 4.17 0.00 3.27 3.37 0.00 5.87 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 18 I 7.69 3.59 1.83 0.00 0.00 0.84 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 0.46 0.88 0.00 0.00 19 E 8.27 3.96 0.00 2.27 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 0.00 2.43 2.44 0.00 20 N 8.62 4.40 0.00 2.88 2.89 0.00 0.00 7.09 7.21 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 21 E 8.44 4.00 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 22 L 8.27 4.01 0.00 1.83 1.71 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.11 3.85 0.00 1.95 2.13 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 25 I 7.79 3.66 2.00 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 1.40 0.63 0.91 0.00 0.00 26 K 8.08 3.81 0.00 1.82 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 27 K 7.85 3.90 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.63 7.81 28 L 8.03 3.98 0.00 1.73 1.74 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.94 4.22 0.00 1.94 1.72 0.92 0.87 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 30 G 7.96 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 31 E 8.03 4.06 0.00 2.14 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 2.18 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.