NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2020 8.3044 120.3493 56.1274 33.3348 176.0289 2 D 4.2469 8.5690 124.1356 51.9563 41.1914 170.9544 3 N 4.9441 9.1304 115.3471 52.4347 39.8867 174.5292 4 R 4.0812 8.8144 118.9183 56.4973 30.6547 176.1215 5 Q 4.3812 8.3847 119.9307 54.5510 33.9565 173.3913 6 F 4.9451 8.5752 119.4451 55.9397 41.1452 175.2678 7 L 4.8408 8.9539 124.4259 53.6379 45.1936 175.1770 8 S 5.2742 8.8212 121.0614 56.8939 66.7901 173.0634 9 L 4.9026 8.7337 123.5470 53.9508 45.8367 174.6936 10 T 4.7394 8.1478 113.6500 60.3849 72.5313 173.3720 11 G 3.8430 8.7828 106.7360 46.2182 0.0000 173.7635 12 V 3.8408 7.6041 118.7128 62.2100 32.3284 175.9631 13 S 4.4240 8.5962 122.3476 60.9815 62.9663 174.1897 14 K 4.4041 7.5662 115.1423 56.0021 35.1457 174.1858 15 V 4.1635 8.4745 122.3739 62.9050 31.7704 175.0867 16 Q 4.4006 8.8122 128.6023 57.9105 30.6040 175.8217 17 S 4.4676 8.1237 113.7582 57.3841 66.1654 172.9942 18 F 5.0890 9.0577 130.5492 56.7511 40.6106 174.1398 19 D 4.7654 8.4367 125.9243 51.3978 44.6467 175.5930 20 P 4.1160 0.0000 0.0000 64.8183 31.5517 177.7448 21 K 4.5127 7.3674 115.9827 55.5038 32.9926 175.0853 22 E 4.9216 7.3866 116.9684 55.5423 33.9050 174.6131 23 I 5.0716 8.2504 126.1183 59.6363 41.8087 174.0862 24 L 4.9833 9.2041 126.7426 53.1205 44.8130 175.3388 25 L 4.9140 8.3961 124.8012 52.6952 44.6542 175.7706 26 E 4.1812 8.8296 125.6484 56.0414 29.8566 174.8583 27 T 5.1601 8.1869 121.7030 59.7565 71.4269 172.4586 28 I 3.5230 8.2161 122.9979 61.4852 38.3164 175.3387 29 Q 4.0011 9.1166 125.5716 55.9590 28.3740 173.8124 30 G 3.8805 6.8548 109.2044 45.7316 0.0000 174.1770 31 V 4.8114 8.3921 124.8742 60.6689 33.9897 173.5350 32 L 4.8361 8.6202 129.5917 53.8656 43.9585 174.9508 33 S 5.1741 8.7087 121.9830 56.9473 65.6297 173.1549 34 I 4.8518 8.5345 124.3662 59.4104 40.4538 174.6543 35 K 4.6899 9.3165 125.4069 54.0213 35.5477 176.7182 36 G 4.2484 7.4399 108.5898 46.0519 0.0000 171.3707 37 E 4.5479 7.5381 118.9235 55.5487 33.9701 175.3046 38 K 3.9392 8.3650 119.3924 57.7440 29.5720 176.8128 39 L 4.5305 7.7950 120.7488 51.6407 40.6385 176.6721 40 G 3.9269 8.1337 108.5791 44.7374 0.0000 170.2997 *46 L 4.0662 8.4145 121.4794 54.5490 43.0990 176.0909 47 K 4.6265 8.1787 126.8858 56.4577 34.9614 176.9343 48 A 3.5810 9.4429 118.5431 52.7977 17.6835 178.5945 49 G 3.8281 8.6475 103.0228 46.4555 0.0000 173.3773 50 Q 4.6674 7.8446 116.9755 53.9977 31.4235 175.0865 51 V 4.4335 8.1493 120.3488 61.0915 34.5162 173.8724 52 E 5.0675 8.8477 127.6541 54.3746 32.5268 174.7980 53 V 4.6818 9.0765 126.0223 61.1724 35.1987 173.8000 54 E 5.0977 9.6453 126.3941 53.4706 33.1311 175.9658 55 G 4.5470 7.6408 110.1461 45.9343 0.0000 170.3955 56 L 4.7416 7.2959 120.2077 54.4857 42.0786 176.0700 57 I 4.4272 8.3223 125.5845 60.4638 37.1067 174.9798 58 D 4.7629 8.7933 126.7497 54.9360 42.4052 175.9158 59 A 4.7838 7.8307 118.8250 50.9587 23.1180 175.2007 60 L 5.0895 8.3830 119.4023 53.0572 46.0634 176.1012 61 V 4.5258 8.5825 122.3938 61.2993 34.6117 173.5639 62 Y 5.0526 8.5694 127.9117 55.0434 42.2193 172.5771 63 P 4.4010 0.0000 0.0000 61.6804 31.9195 176.8553 64 L 4.8031 8.0916 129.5051 54.9956 41.7835 176.8535 65 E 3.7053 8.4977 119.0505 57.6757 27.9965 176.5762 66 H 4.1492 9.0088 121.8727 56.5459 28.5151 174.2797 67 H 5.1574 7.2895 116.0929 54.0019 32.1224 173.6330 68 H 4.4094 8.8355 118.6856 56.1874 29.1510 175.7666 69 H 4.6951 7.9839 123.3857 55.8280 30.3367 171.8545 70 H 5.0257 8.3450 121.7228 54.2821 32.8946 173.3565 71 H 4.4316 8.5883 120.4248 56.6150 29.9177 173.0131 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 M 8.30 4.20 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 D 8.57 4.25 0.00 2.89 2.64 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 3 N 9.13 4.94 0.00 2.78 2.83 0.00 0.00 5.93 7.62 0.00 0.00 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 R 8.81 4.08 0.00 1.63 1.67 0.00 3.21 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 5 Q 8.38 4.38 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 6 F 8.58 4.95 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.95 4.84 0.00 1.71 1.49 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.82 5.27 0.00 3.76 3.83 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 0.00 0.00 0.00 9 L 8.73 4.90 0.00 1.76 1.46 0.93 0.79 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 10 T 8.15 4.74 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 11 G 8.78 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.84 2.09 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 0.88 0.00 0.00 0.95 0.00 0.00 13 S 8.60 4.42 0.00 3.95 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 14 K 7.57 4.40 0.00 1.85 1.83 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.42 7.81 15 V 8.47 4.16 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 0.91 0.00 0.00 0.90 0.00 0.00 16 Q 8.81 4.40 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.43 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 17 S 8.12 4.47 0.00 3.92 3.68 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 18 F 9.06 5.09 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.77 0.00 2.76 2.37 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 20 P 0.00 4.12 0.00 2.13 2.21 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 21 K 7.37 4.51 0.00 1.68 1.80 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.33 7.81 22 E 7.39 4.92 0.00 1.98 1.66 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 2.10 2.18 0.00 23 I 8.25 5.07 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.43 1.07 0.00 0.00 24 L 9.20 4.98 0.00 1.57 1.69 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.40 4.91 0.00 1.58 1.60 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.83 4.18 0.00 2.10 2.01 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 2.30 2.26 0.00 27 T 8.19 5.16 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 1.30 0.00 0.00 28 I 8.22 3.52 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.93 0.94 0.00 0.00 29 Q 9.12 4.00 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 30 G 6.85 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 0.00 0.00 0.00 31 V 8.39 4.81 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 32 L 8.62 4.84 0.00 2.03 1.61 1.07 0.84 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 33 S 8.71 5.17 0.00 4.04 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.53 4.85 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.23 0.91 0.00 0.00 35 K 9.32 4.69 0.00 1.79 1.63 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.35 7.81 36 G 7.44 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.54 4.55 0.00 1.92 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 2.25 2.21 0.00 38 K 8.37 3.94 0.00 1.92 1.80 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.41 7.81 39 L 7.79 4.53 0.00 1.65 1.55 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.13 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 0.00 0.00 0.00 *46 L 8.41 4.07 0.00 1.61 1.60 0.91 0.58 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 8.18 4.63 0.00 1.94 1.93 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.39 7.81 48 A 9.44 3.58 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 49 G 8.65 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.84 4.67 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 51 V 8.15 4.43 2.22 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 1.04 0.00 0.00 0.87 0.00 0.00 52 E 8.85 5.07 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 53 V 9.08 4.68 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 1.09 0.00 0.00 1.15 0.00 0.00 54 E 9.65 5.10 0.00 1.95 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 2.50 2.38 0.00 55 G 7.64 4.55 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 0.00 0.00 0.00 56 L 7.30 4.74 0.00 1.82 1.76 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.32 4.43 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.94 0.00 0.00 58 D 8.79 4.76 0.00 2.64 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 59 A 7.83 4.78 1.18 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 0.00 0.00 0.00 0.00 0.00 60 L 8.38 5.09 0.00 1.49 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.58 4.53 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 0.91 0.00 0.00 0.95 0.00 0.00 62 Y 8.57 5.05 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.40 0.00 1.89 1.87 0.00 2.31 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.61 0.00 64 L 8.09 4.80 0.00 1.78 1.89 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.50 3.71 0.00 2.00 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 2.29 2.24 0.00 66 H 9.01 4.15 0.00 2.87 3.08 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.29 5.16 0.00 3.16 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.84 4.41 0.00 3.15 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.98 4.70 0.00 3.01 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.35 5.03 0.00 3.17 3.14 0.00 5.72 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 71 H 8.59 4.43 0.00 3.08 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.