NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4053 8.3349 115.2891 58.1813 63.5898 172.4641 2 V 4.1906 8.0116 116.6258 58.6909 33.5408 174.4356 3 S 4.6045 9.0303 119.1204 57.0011 64.8513 173.9006 4 E 4.1239 8.7306 123.2894 59.5463 29.2870 179.6663 5 I 4.5688 7.4285 109.6705 61.2694 38.4098 176.9776 6 Q 4.1199 7.8229 124.3172 60.0848 29.2431 177.5920 7 L 4.2718 7.5780 117.8669 54.9187 40.8232 177.2549 *9 H 4.7121 8.0821 112.1064 55.2332 30.5553 173.6774 10 N 4.4469 8.2142 117.6370 55.2484 39.0083 175.9391 11 L 4.7517 7.7713 112.5872 55.0965 42.0117 176.7932 12 G 3.9373 7.8099 107.7609 45.3636 0.0000 173.7727 *14 H 4.3926 7.8462 117.7494 55.5716 30.9427 173.0662 15 L 4.1962 8.6740 127.4324 56.5436 42.1510 176.3415 16 N 4.6882 7.9478 114.7427 54.4910 39.3680 173.6750 17 E 4.2342 7.6957 117.9341 57.4227 29.4313 177.3845 *19 E 4.3581 7.5171 116.5292 55.7585 32.3540 178.5020 20 R 3.7707 7.8246 117.0869 59.1219 30.8471 179.0912 21 V 2.9986 7.7198 117.1164 65.3941 31.2385 177.2400 22 E 4.0577 8.1088 120.0164 58.5202 29.5725 178.4742 23 W 4.3550 8.4800 116.3825 60.2724 28.6197 178.6075 24 L 2.0000 6.7961 121.5807 56.2274 40.9904 179.5244 25 R 3.7845 7.3788 117.5976 59.5225 30.2755 178.6885 26 K 4.1676 8.3505 117.5050 58.3335 31.8378 178.7612 27 K 4.0419 8.1423 120.8434 59.2747 32.0519 177.7448 28 L 4.2376 7.8439 119.2435 57.5333 42.3181 177.7163 29 Q 4.0065 8.1947 116.3508 59.6710 28.7672 177.9467 30 D 4.7359 8.4275 119.5327 53.9808 41.6292 177.4966 31 V 3.4557 7.3405 111.4579 61.6460 29.8916 172.1367 32 H 4.5397 8.5330 124.0434 55.9377 27.2195 174.5374 33 N 4.3193 8.7231 122.3132 54.7010 39.2213 174.7827 34 F 3.8819 8.2596 119.8626 57.9404 39.0368 174.7119 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 S 8.33 4.41 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.01 4.19 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 0.71 0.00 0.00 0.93 0.00 0.00 3 S 9.03 4.60 0.00 3.80 3.74 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 4 E 8.73 4.12 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 5 I 7.43 4.57 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.91 0.00 0.00 6 Q 7.82 4.12 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 7.72 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 7 L 7.58 4.27 0.00 1.69 1.68 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *9 H 8.08 4.71 0.00 3.27 3.71 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.21 4.45 0.00 2.86 2.87 0.00 0.00 6.93 7.94 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 11 L 7.77 4.75 0.00 1.67 1.67 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.81 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 *14 H 7.85 4.39 0.00 3.22 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.67 4.20 0.00 1.67 1.70 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.95 4.69 0.00 2.64 2.71 0.00 0.00 6.93 7.64 0.00 0.00 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 E 7.70 4.23 0.00 2.01 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 2.29 2.27 0.00 *19 E 7.52 4.36 0.00 2.12 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 2.34 2.59 0.00 20 R 7.82 3.77 0.00 1.63 1.34 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 21 V 7.72 3.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.87 0.00 0.00 22 E 8.11 4.06 0.00 2.09 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 2.62 2.46 0.00 23 W 8.48 4.36 0.00 3.47 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.80 2.00 0.00 1.06 1.27 -1.11 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.38 3.78 0.00 1.94 2.13 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 26 K 8.35 4.17 0.00 2.13 1.94 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 27 K 8.14 4.04 0.00 2.05 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.68 2.05 7.81 28 L 7.84 4.24 0.00 1.76 1.63 0.93 0.42 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 29 Q 8.19 4.01 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 30 D 8.43 4.74 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.34 3.46 2.22 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 1.03 0.00 0.00 0.97 0.00 0.00 32 H 8.53 4.54 0.00 3.22 3.52 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.72 4.32 0.00 2.71 2.92 0.00 0.00 7.34 7.06 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 34 F 8.26 3.88 0.00 3.30 3.12 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.