NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.8144 8.1548 120.2635 56.8639 32.8041 174.5763 2 S 4.2700 7.9225 116.2409 58.2263 62.8161 174.3206 *4 I 4.2893 8.6528 127.4989 60.9794 42.0586 174.6375 5 D 4.5281 6.7681 120.6612 53.5313 42.9012 179.4916 6 T 3.7616 8.5617 111.7142 64.4487 67.3895 173.2452 7 I 3.8445 7.2021 114.0976 59.8948 38.6075 172.3026 8 P 4.1623 0.0000 0.0000 65.4734 31.9059 177.7009 9 K 5.1388 6.6412 124.8155 56.7853 32.6638 173.7972 10 S 4.7701 9.1216 116.2383 58.6204 64.6813 175.9742 11 R 4.5600 9.1981 109.2369 55.2619 30.7557 174.0897 12 C 4.8571 8.1311 112.6050 54.6985 40.6344 172.8263 13 T 4.3314 7.7314 110.6883 60.0537 71.1975 174.3989 14 A 4.4788 7.6339 124.7443 53.8778 18.5621 178.8913 15 F 4.7934 7.0932 113.7558 58.3210 38.4927 175.6939 16 Q 4.6188 8.3403 120.2551 57.0653 36.3754 176.5107 17 C 3.7319 7.2415 117.7252 60.0342 44.7489 174.6765 18 K 4.3726 7.5906 113.2034 56.6627 34.1540 173.9148 19 H 3.9702 7.0476 112.5507 60.3399 29.9958 175.7710 20 S 4.7523 8.2458 121.4230 56.7398 61.4653 172.9562 21 A 3.7552 7.4526 130.3184 51.4323 21.2684 178.7627 22 K 3.3734 7.2545 115.8302 59.2137 32.4482 177.7793 23 Y 4.5473 6.6645 115.3773 56.8302 38.5898 175.6255 24 R 4.2487 7.9226 119.8303 57.8385 31.0986 176.6951 25 L 4.1656 6.6864 116.0567 54.0965 42.4738 176.6330 26 S 4.5618 7.4607 124.4592 59.7998 66.7962 177.2212 27 F 4.8515 7.0813 118.4046 57.8558 47.9001 174.3068 28 C 5.1695 7.4919 117.5654 55.3039 38.8379 172.1644 29 R 4.0141 8.2332 128.2668 56.0921 34.4090 176.1559 30 K 3.8144 8.9149 119.0121 59.6254 32.9062 176.8568 31 T 4.4660 7.8569 111.9864 63.5527 69.4236 175.9151 32 C 4.7679 7.8250 118.3681 55.8678 42.0605 174.4384 33 G 4.0161 8.4294 106.9690 46.2212 0.0000 173.2459 34 T 4.1092 7.5951 118.8959 61.7763 67.2769 174.3084 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 8.15 4.81 0.00 1.80 1.99 0.00 3.05 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.98 0.00 2 S 7.92 4.27 0.00 3.95 3.16 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 0.00 0.00 0.00 0.00 *4 I 8.65 4.29 1.64 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.82 0.64 0.00 0.00 5 D 6.77 4.53 0.00 2.48 1.54 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 6 T 8.56 3.76 4.20 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 1.15 0.00 0.00 7 I 7.20 3.84 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.82 0.00 0.00 8 P 0.00 4.16 0.00 2.17 2.09 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 9 K 6.64 5.14 0.00 1.71 1.68 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.41 7.81 10 S 9.12 4.77 0.00 3.95 3.53 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 11 R 9.20 4.56 0.00 1.88 1.97 0.00 3.01 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 12 C 8.13 4.86 0.00 3.04 3.07 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 13 T 7.73 4.33 3.59 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 1.25 0.00 0.00 14 A 7.63 4.48 1.32 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 15 F 7.09 4.79 0.00 3.06 3.01 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 0.00 0.00 0.00 16 Q 8.34 4.62 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 17 C 7.24 3.73 0.00 3.09 3.02 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 K 7.59 4.37 0.00 1.65 1.56 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.28 7.81 19 H 7.05 3.97 0.00 3.28 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.25 4.75 0.00 3.97 4.01 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 0.00 0.00 0.00 21 A 7.45 3.76 1.09 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 0.00 0.00 0.00 0.00 0.00 22 K 7.25 3.37 0.00 1.78 2.05 0.00 1.32 0.00 0.00 1.83 0.00 0.00 3.27 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.46 7.81 23 Y 6.66 4.55 0.00 3.07 3.08 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 0.00 0.00 0.00 24 R 7.92 4.25 0.00 1.37 1.80 0.00 3.18 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 25 L 6.69 4.17 0.00 1.56 1.48 0.84 0.68 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 26 S 7.46 4.56 0.00 3.84 3.93 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 27 F 7.08 4.85 0.00 2.98 2.78 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 0.00 0.00 0.00 0.00 28 C 7.49 5.17 0.00 2.92 2.94 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 29 R 8.23 4.01 0.00 1.73 1.55 0.00 3.18 0.00 0.00 3.20 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 30 K 8.91 3.81 0.00 1.70 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.56 7.81 31 T 7.86 4.47 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 32 C 7.83 4.77 0.00 3.06 3.05 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 0.00 0.00 0.00 33 G 8.43 4.02 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 34 T 7.60 4.11 4.38 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.