NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2646 8.0433 120.5779 54.5995 43.7683 175.8227 10 L 4.4483 8.6398 124.0855 53.8052 41.1023 174.6936 11 L 4.8467 8.1343 123.6508 53.3380 44.8628 175.0123 12 E 5.0838 8.4490 116.9975 55.4377 32.5744 174.2309 13 C 5.3508 8.6480 118.7847 57.8459 30.4928 173.1596 14 T 4.2872 8.0932 119.5161 60.2744 66.5620 173.0586 15 E 3.7523 8.0986 130.6276 56.1408 30.7045 176.0631 16 C 3.9938 8.6570 121.6911 60.2021 29.5518 173.7423 17 K 3.9986 10.0066 123.7619 56.7483 28.8246 176.4398 18 R 4.4817 7.1276 114.8001 56.4179 33.3120 173.6309 19 R 4.2992 7.9413 114.3174 57.2321 29.4006 175.1590 20 N 4.7795 9.2312 114.4514 53.5927 39.3292 172.4129 21 Y 5.0124 8.4020 116.6722 56.8547 41.9809 174.6780 22 A 4.2965 8.5391 123.4495 51.1095 21.4637 176.5393 23 T 3.5596 7.8408 104.3404 62.9674 67.2703 171.7198 24 E 4.3477 7.8520 128.9197 57.6858 32.8169 179.0014 25 K 4.9698 8.0540 122.3861 57.8509 34.4960 175.0031 26 N 4.8030 8.6180 127.7721 52.0317 41.4953 176.1710 27 K 4.5576 8.3367 120.7209 56.9867 35.6037 179.6786 28 R 3.3266 8.7239 120.3386 56.9491 31.3602 176.4955 29 N 4.1787 9.4844 111.8317 56.6365 38.7976 174.7245 30 T 3.6764 8.2968 116.0153 64.0208 67.5457 174.4621 31 P 3.9953 0.0000 0.0000 62.9439 28.0848 174.2728 32 N 4.5997 7.6471 127.4751 52.8345 40.3489 169.7253 33 K 3.9343 9.3040 123.6337 57.0677 32.4121 175.3654 34 L 3.9001 8.5184 121.6568 56.3680 38.0719 174.3005 35 E 4.3204 8.1934 118.7459 55.8670 30.5658 175.8786 36 L 5.1198 7.8588 123.3339 55.8508 42.3084 173.5299 37 R 4.3725 8.9079 116.7781 55.1197 34.9304 173.5225 38 K 4.8577 8.7425 125.0351 56.8475 32.2365 174.3384 39 Y 4.7273 8.4777 127.0779 55.6424 42.0941 173.6825 40 C 4.2127 6.8441 122.5205 56.6509 32.4020 171.6542 41 P 4.9407 0.0000 0.0000 61.4181 32.1739 175.6173 42 W 5.1125 8.6435 127.5539 59.1530 31.2155 176.1058 43 C 4.2077 7.9843 119.0135 58.2094 29.3562 173.0750 44 R 4.0979 7.9476 122.9853 54.9319 29.0929 175.8889 45 K 4.4836 8.1878 117.9571 55.5128 33.3980 176.7400 46 H 4.8379 8.5998 116.7833 55.5888 31.4530 176.1890 47 T 4.6335 8.0251 114.9304 64.3167 68.6964 176.6287 48 V 3.9161 8.7803 124.0324 62.7653 32.7619 171.1900 49 H 4.2330 8.0961 125.4727 55.2464 27.9110 173.8553 50 R 4.7412 8.1265 129.6229 56.0425 32.4177 174.4561 51 E 4.4017 8.3698 120.6520 58.7707 28.5860 175.2815 52 V 3.2810 8.5187 125.9934 63.0036 29.1400 171.7708 *53 K 4.1330 8.2841 126.5278 54.6295 32.2491 173.5706 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 9 L 8.04 4.26 0.00 1.61 1.65 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.64 4.45 0.00 1.59 1.63 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.13 4.85 0.00 1.58 1.54 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.45 5.08 0.00 2.07 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 2.22 2.60 0.00 13 C 8.65 5.35 0.00 2.74 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 14 T 8.09 4.29 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 15 E 8.10 3.75 0.00 1.92 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 2.23 2.15 0.00 16 C 8.66 3.99 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 10.01 4.00 0.00 1.95 2.03 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.35 7.81 18 R 7.13 4.48 0.00 1.86 1.83 0.00 3.17 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 19 R 7.94 4.30 0.00 1.89 1.84 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 20 N 9.23 4.78 0.00 3.00 2.81 0.00 0.00 6.70 7.56 0.00 0.00 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 Y 8.40 5.01 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.54 4.30 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.84 3.56 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 24 E 7.85 4.35 0.00 1.88 1.77 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 2.17 2.29 0.00 25 K 8.05 4.97 0.00 1.68 1.66 0.00 1.58 0.00 0.00 2.35 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.30 7.81 26 N 8.62 4.80 0.00 2.64 2.86 0.00 0.00 6.93 7.61 0.00 0.00 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 K 8.34 4.56 0.00 1.71 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.33 7.81 28 R 8.72 3.33 0.00 1.84 1.43 0.00 3.27 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 29 N 9.48 4.18 0.00 2.75 2.89 0.00 0.00 6.83 7.54 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 30 T 8.30 3.68 4.27 0.00 0.00 0.00 0.00 0.00 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 31 P 0.00 4.00 0.00 2.09 2.26 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 32 N 7.65 4.60 0.00 2.80 2.63 0.00 0.00 7.29 6.68 0.00 0.00 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 K 9.30 3.93 0.00 1.96 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 34 L 8.52 3.90 0.00 1.82 1.85 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.19 4.32 0.00 1.95 1.83 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 2.27 2.35 0.00 36 L 7.86 5.12 0.00 1.78 1.59 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.91 4.37 0.00 1.69 1.83 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 38 K 8.74 4.86 0.00 1.82 1.84 0.00 1.59 0.00 0.00 2.37 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.63 7.81 39 Y 8.48 4.73 0.00 2.72 2.06 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 0.00 0.00 0.00 0.00 40 C 6.84 4.21 0.00 2.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.94 0.00 2.29 2.24 0.00 3.52 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.03 0.00 42 W 8.64 5.11 0.00 3.20 3.09 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 43 C 7.98 4.21 0.00 2.99 2.87 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 44 R 7.95 4.10 0.00 2.01 2.01 0.00 3.28 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 45 K 8.19 4.48 0.00 1.76 1.75 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 46 H 8.60 4.84 0.00 3.31 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.03 4.63 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 V 8.78 3.92 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 0.96 0.00 0.00 0.95 0.00 0.00 49 H 8.10 4.23 0.00 3.41 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.13 4.74 0.00 1.84 1.82 0.00 3.28 0.00 0.00 3.40 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 51 E 8.37 4.40 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 52 V 8.52 3.28 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 0.77 0.00 0.00 0.95 0.00 0.00 *53 K 8.28 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.