NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5688 8.0600 119.1023 56.6288 32.6096 177.3349 2 M 3.8353 7.9627 116.9817 57.5527 32.0953 176.4151 3 K 3.9688 8.8074 120.6884 59.5319 32.7322 178.2247 4 Q 3.9764 7.9202 117.8341 58.9158 28.7475 178.3851 5 I 3.7531 7.8753 120.8667 64.5549 37.2117 177.8126 6 E 3.9405 8.5353 120.2640 59.7453 29.4510 178.7581 7 D 4.3886 8.3740 118.9690 57.3065 40.7719 178.9423 8 K 4.0710 8.3372 119.1831 59.2180 32.0129 179.4478 9 L 3.9700 8.0588 119.4990 57.7950 41.4509 179.1757 10 E 3.9775 8.2724 119.3141 59.0024 29.2922 178.5299 11 E 3.9262 7.8912 118.4792 59.1165 29.7908 178.2460 12 I 3.8383 7.7452 119.1144 64.6900 37.2987 178.0565 13 L 4.1338 7.8459 118.1693 57.2231 42.8370 179.3470 14 S 4.4576 7.9612 115.4530 59.0430 58.6687 173.3556 *16 Y 4.7713 7.5575 121.4977 58.3375 40.6146 177.9481 17 H 4.2710 8.1527 116.4232 59.0051 28.8279 177.4332 18 I 3.9312 7.7454 122.3544 63.8918 37.0186 178.1126 19 E 3.9726 8.1207 118.5875 59.4669 29.3825 178.9420 20 N 4.3705 8.5173 116.7572 56.4137 38.4131 177.2357 21 E 3.9902 8.4077 119.9753 59.5925 29.6677 179.5736 22 L 4.1284 8.2261 118.4797 57.2988 41.6364 179.3507 23 A 4.1518 7.9485 123.1383 55.6041 18.6374 179.8895 24 R 3.8598 8.1469 119.0893 61.7420 29.4405 180.8931 25 I 3.8810 8.0443 119.7789 64.5772 37.0727 178.4889 26 K 4.0230 7.7205 118.8671 59.0273 32.1398 178.7015 27 K 4.0484 8.4236 120.0602 59.9240 32.0310 179.3789 28 L 3.9624 7.3800 119.3671 57.5898 42.7065 178.2991 29 L 4.4670 7.5100 115.1993 55.1153 41.9612 177.6589 30 G 3.8693 8.8519 112.6766 44.9998 0.0000 173.3913 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 8.06 4.57 0.00 1.89 2.04 0.00 3.37 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 2 M 7.96 3.84 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 3 K 8.81 3.97 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 4 Q 7.92 3.98 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.88 3.75 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 1.41 0.99 0.91 0.00 0.00 6 E 8.54 3.94 0.00 2.10 2.09 0.00 0.00 0.00 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 2.38 0.00 7 D 8.37 4.39 0.00 2.97 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 8 K 8.34 4.07 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 9 L 8.06 3.97 0.00 1.89 1.72 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.27 3.98 0.00 2.21 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 0.00 2.32 2.37 0.00 11 E 7.89 3.93 0.00 2.15 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 2.33 2.36 0.00 12 I 7.75 3.84 2.02 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 1.51 0.64 0.88 0.00 0.00 13 L 7.85 4.13 0.00 1.82 1.81 1.02 0.82 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 14 S 7.96 4.46 0.00 3.85 3.90 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 *16 Y 7.56 4.77 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.27 0.00 3.21 3.34 0.00 5.66 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 7.75 3.93 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.99 0.89 0.00 0.00 19 E 8.12 3.97 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 20 N 8.52 4.37 0.00 2.92 2.91 0.00 0.00 7.06 8.16 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 21 E 8.41 3.99 0.00 2.18 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 2.49 0.00 22 L 8.23 4.13 0.00 1.83 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.95 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.86 0.00 1.84 1.93 0.00 3.31 0.00 0.00 3.17 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 25 I 8.04 3.88 2.00 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 1.41 0.78 0.91 0.00 0.00 26 K 7.72 4.02 0.00 1.99 1.95 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 27 K 8.42 4.05 0.00 1.90 2.08 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 28 L 7.38 3.96 0.00 1.98 1.85 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.51 4.47 0.00 1.66 1.69 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.