NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.0819 8.4145 120.1312 56.2287 33.9228 176.1530 *7 E 4.2338 8.3072 115.7638 55.0496 31.7593 174.1748 8 L 5.0931 8.5946 120.5664 53.5233 47.5055 174.5214 9 V 5.0456 9.1464 115.3840 59.5371 35.8920 174.0890 10 L 5.1316 9.1518 125.3556 53.0770 44.5058 175.3027 11 A 4.6217 8.8489 128.9142 52.3055 18.6651 177.8980 12 L 4.1790 8.8779 123.4244 56.6415 42.3951 176.5247 13 Y 4.8138 7.5069 114.2208 56.1059 42.2455 174.5716 14 D 4.8911 8.7610 120.4487 55.0477 42.1965 176.0468 15 Y 4.7146 9.2971 122.9371 56.7028 42.0365 173.8573 16 Q 4.4480 8.4158 127.0421 54.9253 29.7476 176.1658 17 E 4.1241 8.4265 124.0686 57.5639 29.7722 177.6575 18 K 4.5002 9.2723 124.6009 54.0645 32.8977 172.6151 19 S 4.6938 7.3813 111.6833 57.5646 65.2192 173.8517 20 P 4.4120 0.0000 0.0000 64.6596 31.3896 177.3760 *21 R 4.5868 7.7195 113.6322 55.6908 29.5747 174.9163 22 E 5.5621 8.0825 117.3642 55.3719 32.6865 175.4749 23 V 4.7135 8.4319 118.9226 60.4088 34.7173 175.3646 24 T 5.3834 8.8600 118.7538 63.1091 69.4871 173.8761 25 M 5.0194 8.6660 121.1673 54.0010 35.1413 173.5446 26 K 5.0889 8.3312 118.0974 53.9102 35.7372 176.1632 27 K 3.8051 9.9005 124.6020 58.1782 32.6171 177.9891 28 G 4.0837 9.0432 113.4918 45.9339 0.0000 173.9897 29 D 4.5766 7.5769 118.9658 55.0440 42.2306 175.8064 30 I 4.9329 8.2986 121.3935 59.6543 39.5479 174.9846 31 L 4.9389 9.0307 126.6050 53.0809 46.0190 175.6397 32 T 4.5853 8.3730 118.5242 62.6688 69.9604 173.8503 33 L 4.4082 8.5075 129.2379 54.9798 42.0960 176.1104 34 L 4.3330 9.2678 127.9607 56.7644 43.2018 177.0384 35 N 4.4365 7.5746 115.5829 52.5416 42.0365 175.0607 36 S 4.1857 8.2688 122.1225 57.8743 63.4035 175.4518 37 T 4.0246 8.1108 114.0958 64.8445 68.9431 174.4926 38 N 4.7172 8.1405 120.4323 52.6874 39.7106 174.7964 39 K 4.2984 8.8864 126.0727 58.8344 32.9437 176.8814 40 D 4.6230 9.0510 118.3273 54.3887 43.4043 176.7639 41 W 5.2622 8.5186 116.7480 54.5601 32.4675 175.0227 42 W 5.3350 8.9518 124.1874 54.8125 31.6738 174.8797 43 K 4.1225 8.7737 126.2643 55.9111 32.7669 176.0403 44 V 4.8621 8.8970 120.4096 59.5117 36.3100 174.0728 45 E 4.5769 9.0474 124.3541 56.0549 30.8590 175.1755 46 V 3.7129 9.0160 129.6857 63.8813 30.5716 176.1274 47 N 4.6211 8.2080 127.5189 53.2277 40.3657 174.6713 48 D 4.7096 8.8361 121.2464 53.0065 38.3142 172.1804 49 R 4.9190 7.5882 116.7120 55.4259 33.4859 174.8989 50 Q 5.0420 9.3215 120.1192 53.4574 32.5589 175.1494 51 G 4.0820 7.8534 109.0725 46.5058 0.0000 171.2115 52 F 5.4431 8.6013 118.4169 57.0979 40.8594 175.8853 53 V 4.8257 8.6367 114.0041 58.4858 36.4746 173.2716 54 P 2.9700 0.0000 0.0000 62.3049 30.6865 177.2901 55 A 2.5800 7.8156 128.9667 54.7295 18.1228 178.8040 56 S 4.3267 7.2137 106.7552 58.9161 63.6418 174.0035 57 Y 4.8471 8.5810 120.0188 58.4269 37.9732 175.0135 58 V 5.0780 7.2796 112.8319 59.3326 35.7609 174.8299 59 K 4.7234 9.0230 123.6429 54.2802 35.1727 175.5639 60 K 4.6510 8.9602 126.2847 56.6164 32.9561 176.2917 61 L 4.5363 8.6463 126.8501 53.5832 43.8026 177.1715 *62 D 4.4161 8.6584 122.0246 53.3850 40.5022 171.8175 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 6 K 8.41 4.08 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 *7 E 8.31 4.23 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 8 L 8.59 5.09 0.00 1.55 1.53 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.15 5.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 10 L 9.15 5.13 0.00 1.69 1.51 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.85 4.62 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 12 L 8.88 4.18 0.00 1.14 1.07 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.51 4.81 0.00 2.54 2.61 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 0.00 0.00 0.00 0.00 14 D 8.76 4.89 0.00 2.62 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 15 Y 9.30 4.71 0.00 3.24 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 16 Q 8.42 4.45 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 17 E 8.43 4.12 0.00 2.21 1.97 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 2.32 2.28 0.00 18 K 9.27 4.50 0.00 1.74 1.71 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.22 7.81 19 S 7.38 4.69 0.00 3.87 3.95 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 20 P 0.00 4.41 0.00 2.05 2.16 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 *21 R 7.72 4.59 0.00 1.97 2.09 0.00 2.57 0.00 0.00 2.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 22 E 8.08 5.56 0.00 2.16 2.20 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 2.57 2.16 0.00 23 V 8.43 4.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.01 0.00 0.00 24 T 8.86 5.38 4.29 0.00 0.00 0.00 0.00 0.00 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 25 M 8.67 5.02 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.80 0.00 26 K 8.33 5.09 0.00 1.92 1.75 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.21 7.81 27 K 9.90 3.81 0.00 1.81 1.70 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 G 9.04 4.08 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 0.00 0.00 0.00 29 D 7.58 4.58 0.00 2.89 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.93 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 1.35 0.88 0.92 0.00 0.00 31 L 9.03 4.94 0.00 1.58 1.67 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.37 4.59 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 1.25 0.00 0.00 33 L 8.51 4.41 0.00 1.63 1.51 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.27 4.33 0.00 1.44 1.61 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.57 4.44 0.00 2.64 2.54 0.00 0.00 6.76 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.27 4.19 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.11 4.02 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 1.23 0.00 0.00 38 N 8.14 4.72 0.00 2.92 3.36 0.00 0.00 6.93 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 39 K 8.89 4.30 0.00 2.09 1.87 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.03 7.81 40 D 9.05 4.62 0.00 3.00 2.53 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 41 W 8.52 5.26 0.00 3.13 3.37 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 42 W 8.95 5.34 0.00 3.32 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 43 K 8.77 4.12 0.00 0.79 1.33 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 0.84 7.81 44 V 8.90 4.86 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 0.81 0.00 0.00 1.07 0.00 0.00 45 E 9.05 4.58 0.00 1.99 1.80 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 2.22 2.36 0.00 46 V 9.02 3.71 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 0.83 0.00 0.00 0.99 0.00 0.00 47 N 8.21 4.62 0.00 2.79 2.64 0.00 0.00 7.06 8.49 0.00 0.00 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 D 8.84 4.71 0.00 2.92 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 49 R 7.59 4.92 0.00 1.78 1.85 0.00 3.06 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 50 Q 9.32 5.04 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.12 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 51 G 7.85 4.08 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 0.00 0.00 0.00 52 F 8.60 5.44 0.00 3.16 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.64 4.83 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 1.08 0.00 0.00 1.00 0.00 0.00 54 P 0.00 2.97 0.00 0.49 0.49 0.00 2.49 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.52 0.00 55 A 7.82 2.58 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.21 4.33 0.00 3.92 3.77 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 57 Y 8.58 4.85 0.00 2.88 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 58 V 7.28 5.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.00 0.00 0.00 59 K 9.02 4.72 0.00 1.83 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.25 7.81 60 K 8.96 4.65 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.66 7.81 61 L 8.65 4.54 0.00 1.50 1.59 0.94 0.89 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 *62 D 8.66 4.42 0.00 2.44 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.