NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2948 8.1127 119.7064 56.4842 32.4289 176.2534 2 M 4.2500 7.7897 116.6981 55.2483 31.9886 175.6837 *4 Q 4.1803 8.3306 119.5979 55.6120 32.0488 175.7579 5 L 4.0592 7.8049 119.1415 58.1932 42.2113 178.9229 6 E 3.9127 8.0534 115.1666 57.1150 29.7283 177.1970 *8 K 4.3310 8.1049 120.2616 56.0923 33.8785 177.1331 9 V 3.9854 7.8428 120.3621 63.9867 31.3569 178.3209 *11 E 4.2683 8.3403 115.1131 55.4918 32.0047 179.6579 12 L 4.1741 7.8462 121.2496 58.0573 42.2137 180.9818 13 L 4.3128 7.8766 116.6939 54.8590 40.9829 178.7223 *15 K 4.4265 8.2556 119.6409 56.8417 33.9818 178.1745 16 N 4.7640 8.2785 115.6669 54.0373 38.2511 176.8787 *18 H 4.5914 8.3464 118.7465 56.2713 31.8219 174.1267 19 L 4.0138 8.1479 120.9193 58.1903 41.9445 180.4634 20 E 4.2476 8.2281 118.8510 56.0581 28.9397 177.7514 *22 E 4.3480 8.4185 117.2766 56.1940 31.4501 179.4507 23 V 3.7680 7.6726 115.2564 63.5664 30.9604 177.5104 *25 R 4.2176 8.0924 119.1125 55.9126 31.7407 176.6653 26 L 4.1808 8.2466 117.9375 57.7855 41.7271 180.1494 27 K 3.9490 8.1354 115.6279 56.7634 31.2702 177.8731 *29 L 4.2634 8.0333 122.2384 54.8355 42.8842 177.0569 30 V 3.7574 6.8690 116.7597 64.3317 31.9876 176.0931 *32 E 4.4233 7.9343 123.0142 56.2277 31.9811 176.3150 33 R 4.1684 7.7270 118.6295 56.5823 29.0244 174.5213 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 4.29 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 7.79 4.25 0.00 2.13 2.00 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 2.66 2.59 0.00 *4 Q 8.33 4.18 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 5 L 7.80 4.06 0.00 1.84 1.87 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.05 3.91 0.00 2.08 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 2.33 2.26 0.00 *8 K 8.10 4.33 0.00 2.05 2.02 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.01 7.81 9 V 7.84 3.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 *11 E 8.34 4.27 0.00 2.05 1.89 0.00 0.00 0.00 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 1.88 0.00 12 L 7.85 4.17 0.00 1.88 1.91 0.92 0.47 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 13 L 7.88 4.31 0.00 1.75 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 8.26 4.43 0.00 2.10 1.91 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 16 N 8.28 4.76 0.00 2.90 2.82 0.00 0.00 6.67 7.72 0.00 0.00 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 4.59 0.00 3.11 3.52 0.00 5.93 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.15 4.01 0.00 1.90 1.82 0.92 0.74 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 20 E 8.23 4.25 0.00 2.00 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 2.28 0.00 *22 E 8.42 4.35 0.00 2.15 1.97 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 2.16 2.17 0.00 23 V 7.67 3.77 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 *25 R 8.09 4.22 0.00 1.82 2.14 0.00 3.28 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 26 L 8.25 4.18 0.00 1.87 1.68 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.14 3.95 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 *29 L 8.03 4.26 0.00 1.60 1.90 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 V 6.87 3.76 2.17 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 0.92 0.00 0.00 0.98 0.00 0.00 *32 E 7.93 4.42 0.00 2.02 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 2.21 2.25 0.00 33 R 7.73 4.17 0.00 1.87 1.83 0.00 3.06 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 1.50 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.