NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4169 8.3193 115.2887 58.1643 64.3336 173.1620 3 E 4.4985 7.6412 115.3166 54.1397 32.2524 173.1623 4 S 4.3144 10.1863 117.6452 58.5629 64.3590 177.1526 5 L 4.0269 8.7294 124.1574 57.8049 41.6371 178.1173 6 L 4.5866 7.9164 116.2848 54.9579 42.0369 177.5087 7 Y 4.2507 8.3939 122.1243 61.0451 38.5629 178.5816 8 G 3.6440 8.2996 105.9492 47.8805 0.0000 174.6389 9 Y 3.9601 7.9423 121.3127 60.6713 38.8940 178.2196 10 F 4.3050 8.2977 120.1394 59.5411 38.8957 177.6077 11 L 3.6579 7.9695 120.5852 58.0718 41.7427 178.5148 12 D 4.2166 8.1337 118.4175 57.3275 40.6792 178.4072 13 S 3.9555 7.6672 114.3635 60.8200 62.9338 176.4276 14 W 4.0892 8.1996 132.0843 60.4146 30.4883 178.1724 15 L 3.4176 7.9169 119.0858 57.2460 40.6053 178.5685 16 D 4.4146 7.8803 116.9125 54.7755 41.2219 177.0989 17 G 2.4722 7.0302 106.2438 45.6623 0.0000 174.2796 18 T 4.0682 7.5812 110.6768 63.3795 69.4986 175.1772 19 A 4.5441 7.9022 124.3576 51.0089 19.6617 176.4138 20 S 4.7579 8.3302 115.4248 55.9740 65.8495 174.0968 21 E 4.2584 8.8189 119.5440 59.7367 29.7566 178.3567 22 E 4.2370 7.9316 118.9815 56.8219 27.3157 177.1676 *25 R 4.2178 7.7885 120.3062 56.0409 32.9317 178.6387 26 V 3.5445 7.9420 116.9516 65.8499 31.3540 177.9258 27 A 3.8291 7.7321 120.0955 54.9916 18.1877 179.6626 28 V 4.1169 7.4718 117.5924 65.5940 31.4955 177.4942 29 N 4.2227 8.0300 115.4446 56.8428 38.9296 176.5206 30 A 4.1973 8.0801 120.5194 53.1586 18.4169 178.3703 31 G 3.8637 7.7119 104.7385 46.1844 0.0000 174.3019 32 D 4.6984 8.1762 120.1631 55.1546 41.6992 176.7234 33 L 5.0177 7.4159 118.1803 52.2529 45.8982 175.8425 34 T 4.6233 8.6975 112.3589 60.7899 71.4478 175.8914 35 Q 3.9162 8.4455 122.0730 59.2491 28.9604 177.8976 36 E 3.9045 8.1621 119.8417 59.4450 29.6481 178.6264 37 E 4.0591 8.2327 118.2366 59.3320 29.3478 179.0899 38 A 3.8792 7.8374 119.6575 55.2870 18.5010 179.1145 39 D 4.3482 8.1339 116.4694 57.3145 40.9580 178.8000 40 K 4.1993 8.0718 118.0470 59.4843 32.4402 181.0584 41 I 3.7310 8.0176 119.3364 61.4240 36.8130 178.0053 *43 S 4.4421 8.0780 115.2264 58.0909 64.7738 173.5310 44 Y 4.3565 7.9275 118.8375 56.3812 38.5615 173.3711 45 P 4.5386 0.0000 0.0000 62.0779 31.9082 175.7770 46 W 3.3176 8.9924 133.8941 58.2704 31.0881 175.4836 47 G 3.0603 7.5889 112.4335 45.8770 0.0000 175.1598 48 A 3.9082 7.1988 124.8878 54.9234 18.2696 179.7675 49 W 5.0645 8.2311 112.8604 57.6793 28.9336 176.1853 50 N 4.6080 8.1480 122.5436 53.3819 38.3209 174.3456 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 2 S 8.32 4.42 0.00 3.83 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 3 E 7.64 4.50 0.00 2.16 1.72 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 0.00 2.16 2.40 0.00 4 S 10.19 4.31 0.00 4.06 4.07 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 5 L 8.73 4.03 0.00 1.65 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 4.59 0.00 1.98 1.66 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.39 4.25 0.00 3.26 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 8 G 8.30 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.94 3.96 0.00 2.92 2.90 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 10 F 8.30 4.30 0.00 3.06 2.95 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 0.00 0.00 0.00 11 L 7.97 3.66 0.00 1.03 1.46 -0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.13 4.22 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 13 S 7.67 3.96 0.00 4.02 3.72 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 0.00 0.00 0.00 0.00 14 W 8.20 4.09 0.00 3.47 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.42 0.00 0.90 0.13 0.31 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.88 4.41 0.00 2.82 2.54 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 17 G 7.03 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 4.07 4.24 0.00 0.00 0.00 0.00 0.00 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 19 A 7.90 4.54 1.53 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 0.00 0.00 20 S 8.33 4.76 0.00 4.14 3.85 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 0.00 0.00 0.00 21 E 8.82 4.26 0.00 2.01 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 2.56 2.47 0.00 22 E 7.93 4.24 0.00 2.09 1.93 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 2.40 2.40 0.00 *25 R 7.79 4.22 0.00 2.02 1.99 0.00 3.11 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 26 V 7.94 3.54 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 1.12 0.00 0.00 0.98 0.00 0.00 27 A 7.73 3.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 4.12 2.16 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 1.34 0.00 0.00 0.85 0.00 0.00 29 N 8.03 4.22 0.00 2.83 3.02 0.00 0.00 7.26 7.48 0.00 0.00 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 A 8.08 4.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.18 4.70 0.00 2.78 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 33 L 7.42 5.02 0.00 1.52 1.46 0.64 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.70 4.62 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 Q 8.45 3.92 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 36 E 8.16 3.90 0.00 2.06 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 2.36 2.40 0.00 37 E 8.23 4.06 0.00 2.33 2.32 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 2.24 2.32 0.00 38 A 7.84 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.13 4.35 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.20 0.00 2.09 2.13 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.52 7.81 41 I 8.02 3.73 1.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.79 0.45 0.00 0.00 *43 S 8.08 4.44 0.00 3.95 4.12 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 44 Y 7.93 4.36 0.00 3.24 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 45 P 0.00 4.54 0.00 2.27 2.28 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 46 W 8.99 3.32 0.00 2.58 2.92 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 0.00 0.00 0.00 47 G 7.59 3.06 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 0.00 0.00 0.00 48 A 7.20 3.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.23 5.06 0.00 3.22 2.97 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 0.00 0.00 0.00 50 N 8.15 4.61 0.00 2.71 2.64 0.00 0.00 6.74 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 * Residues marked with a * may have inaccurate shift predictions.