NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4363 8.1927 115.4113 57.6755 64.7803 174.3199 2 L 3.7267 8.3761 121.9457 57.8332 41.8186 177.2840 3 A 4.0327 8.3866 122.1512 55.0753 18.7311 178.9142 4 A 3.9079 8.0014 119.2850 55.1419 18.4713 179.6841 5 L 3.8397 7.9398 118.8984 58.1190 42.2220 178.8728 6 K 3.8785 8.5305 119.9538 59.7652 32.0785 178.8680 7 S 4.1001 8.1850 115.2382 61.4627 62.7169 176.2751 8 E 3.8730 8.1178 121.9364 59.3393 29.4575 178.7022 9 L 3.9841 8.2726 119.3900 58.0995 41.6692 179.6766 10 Q 4.0152 8.2082 117.6378 58.8158 28.6278 178.6888 11 A 4.0038 8.0639 121.8871 55.1552 18.3929 179.7308 12 L 3.9728 8.3363 117.9287 57.6364 41.6909 179.7050 13 K 4.0158 8.1326 119.8971 59.4089 31.9184 179.1255 14 K 4.0843 7.8669 118.0124 59.1353 32.0640 178.3899 15 E 4.3406 8.1810 116.4738 56.1010 29.5911 177.3026 16 G 3.9163 7.7788 106.7732 45.9798 0.0000 173.7213 17 F 3.8520 8.7535 122.1519 59.9294 39.9881 177.2737 18 S 3.3486 7.3621 117.7293 58.1220 59.5902 170.0615 19 P 4.2571 0.0000 0.0000 65.6448 31.4983 177.6131 20 E 3.9769 8.0450 116.3069 59.4308 29.3794 179.1149 21 E 3.9749 8.0725 118.2006 59.3507 29.5650 179.0550 22 L 4.0481 8.3779 120.5066 57.9758 42.1357 178.7310 23 A 4.0260 8.2931 120.7236 55.0813 18.3007 179.4284 24 A 3.9437 8.0194 119.2067 55.3470 18.3897 179.8972 25 L 3.9486 7.6715 117.4814 57.7294 41.6623 179.0920 26 E 3.9233 8.5808 119.7265 59.7596 29.5788 179.2630 27 S 4.1482 8.2491 114.9151 61.5683 62.7651 176.6027 28 E 4.0042 8.3004 121.4106 59.2480 29.1552 179.1010 29 L 3.9416 8.2505 120.7017 58.2751 42.1058 179.0577 30 Q 4.4327 8.5015 119.1758 58.3846 28.5734 178.5506 31 A 3.9776 8.4878 122.1914 55.1475 18.3335 179.4426 32 L 3.8980 8.1269 118.9513 58.2136 42.0069 179.0466 33 E 3.9616 8.3110 118.6819 59.3978 29.3396 179.4877 34 K 3.9931 8.2357 118.5350 59.4430 32.0172 179.6191 35 K 3.9683 8.2931 118.9170 59.2518 31.9250 179.1740 36 L 3.9155 8.3575 120.8849 58.1039 41.9786 178.9325 37 A 3.9939 8.2323 120.5712 55.0733 18.2080 179.4865 38 A 3.9503 8.2650 119.6254 55.2004 18.3306 179.8965 39 L 3.9328 8.2560 117.8700 57.8969 41.7018 179.8271 40 K 3.9601 8.0912 118.4777 59.5151 31.8792 179.6429 41 S 4.1145 8.2744 115.5379 61.4161 62.7872 176.5157 42 K 3.8777 8.3160 122.6479 59.3528 31.8801 178.4952 43 L 3.9264 8.1566 120.7545 58.3066 42.0133 178.7317 44 Q 3.9574 8.2419 119.2316 59.1028 28.7031 178.0982 45 A 4.0074 8.0273 121.1400 55.1609 18.4920 179.2418 46 L 4.0839 7.7581 116.4764 57.9645 41.7526 179.6794 47 K 4.0869 7.9455 117.7227 58.9616 32.0232 177.3495 *48 G 3.7280 7.6361 111.7330 45.7111 0.0000 172.2977 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 8.19 4.44 0.00 4.01 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 2 L 8.38 3.73 0.00 1.85 1.70 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.39 4.03 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 4 A 8.00 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 3.84 0.00 1.77 1.79 0.90 0.44 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 6 K 8.53 3.88 0.00 1.85 1.98 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 7 S 8.19 4.10 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.87 0.00 2.01 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 0.00 2.22 2.26 0.00 9 L 8.27 3.98 0.00 1.84 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.21 4.02 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 11 A 8.06 4.00 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 12 L 8.34 3.97 0.00 1.76 1.74 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.13 4.02 0.00 1.99 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 14 K 7.87 4.08 0.00 1.96 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.59 7.81 15 E 8.18 4.34 0.00 2.14 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 2.50 2.47 0.00 16 G 7.78 3.92 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 0.00 0.00 0.00 17 F 8.75 3.85 0.00 2.99 3.10 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 0.00 0.00 0.00 18 S 7.36 3.35 0.00 3.16 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.26 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 20 E 8.05 3.98 0.00 1.96 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 2.38 2.33 0.00 21 E 8.07 3.97 0.00 2.09 2.02 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 2.38 2.28 0.00 22 L 8.38 4.05 0.00 2.03 1.87 1.07 1.64 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 23 A 8.29 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.67 3.95 0.00 1.82 1.75 0.97 1.03 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 E 8.58 3.92 0.00 2.01 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 0.00 2.32 2.38 0.00 27 S 8.25 4.15 0.00 3.91 3.90 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 28 E 8.30 4.00 0.00 2.14 2.00 0.00 0.00 0.00 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 2.50 0.00 29 L 8.25 3.94 0.00 1.70 1.83 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.50 4.43 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 31 A 8.49 3.98 1.38 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 0.00 0.00 0.00 32 L 8.13 3.90 0.00 1.87 1.88 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.31 3.96 0.00 2.24 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 2.33 2.57 0.00 34 K 8.24 3.99 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.63 7.81 35 K 8.29 3.97 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 36 L 8.36 3.92 0.00 1.73 1.83 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.23 3.99 1.38 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 0.00 0.00 0.00 38 A 8.27 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.93 0.00 1.83 1.73 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.09 3.96 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 41 S 8.27 4.11 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.32 3.88 0.00 1.92 1.96 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 43 L 8.16 3.93 0.00 1.78 1.84 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.24 3.96 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 45 A 8.03 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.76 4.08 0.00 1.86 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.95 4.09 0.00 1.91 1.87 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.62 7.81 *48 G 7.64 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.