NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4775 8.3049 120.3245 55.3863 34.2986 175.9616 2 V 3.6005 7.9154 119.8139 62.2206 32.8005 174.7465 3 I 4.5249 8.0169 121.4617 58.8603 40.7317 173.8267 4 A 4.8097 8.8035 129.5969 50.0443 22.0134 177.0667 5 T 3.8620 8.4466 115.2155 67.2134 68.0931 176.5432 6 D 4.4103 8.1304 119.0786 57.5519 40.9251 177.8948 7 D 4.6087 7.7861 116.2888 55.4453 41.1917 176.5548 8 L 4.6753 8.2522 120.0139 55.3832 44.8196 175.9964 9 E 5.1966 7.9030 115.0166 55.0630 34.4550 175.3821 10 V 4.3898 8.2458 118.6602 61.5457 35.5192 172.5855 11 A 4.3615 8.8957 130.0957 52.5835 19.1888 175.8206 12 C 3.7511 8.5840 123.8673 59.0854 31.7565 173.2603 13 P 4.4142 0.0000 0.0000 64.9876 31.1994 177.6425 14 K 4.0611 7.7171 119.1573 58.8954 32.8619 177.3612 15 C 4.5893 7.5841 112.6064 56.9874 28.4475 173.9345 16 E 3.5594 7.8609 117.9386 58.8659 30.5441 177.2468 *26 C 4.2748 7.9474 119.4736 58.5793 32.4536 172.7399 27 P 4.2761 0.0000 0.0000 65.3994 31.4355 178.5540 28 A 4.1035 8.2049 120.5087 54.5974 18.5290 177.6358 29 C 4.5837 7.9894 107.6836 57.1665 30.9665 173.6488 30 S 4.0186 8.3301 114.3565 59.9764 60.1423 173.4253 31 G 4.0231 8.0937 107.0431 45.6900 0.0000 175.4860 32 K 3.9310 7.7865 118.4537 57.3822 32.6551 176.9075 33 G 3.7122 7.9661 106.1376 44.6665 0.0000 172.9044 34 V 4.9730 6.6467 123.9228 62.3746 34.1666 169.1536 35 I 4.6372 8.3680 128.6678 59.3499 40.1008 174.9826 36 L 4.5992 8.4602 126.3387 54.7231 42.5993 177.0260 37 T 4.3847 8.5846 113.4068 60.8657 70.6559 175.6763 38 A 4.0982 8.8439 122.9262 55.6584 18.2916 179.4640 39 Q 4.0058 8.3036 117.5502 59.2598 28.9692 178.6101 40 G 3.5365 7.7558 106.6513 48.0404 0.0000 175.0688 41 Y 4.1011 7.9477 119.8348 60.8363 38.0461 178.7722 42 T 4.0744 8.2128 116.7489 66.9926 68.5520 176.4305 43 L 3.9672 7.7591 119.8650 57.6867 41.6395 179.3046 44 L 3.9721 8.0454 120.2376 58.3323 42.0509 178.6106 45 D 4.4419 8.9816 119.7428 57.3486 40.4618 178.5632 46 F 4.0373 8.2140 120.5057 61.4771 39.3705 177.3334 47 I 3.7190 8.2142 119.4887 64.5369 36.7458 178.2988 48 Q 3.9564 8.2730 119.5619 58.9815 28.9581 177.8409 49 K 4.0881 8.0171 119.4938 58.4717 32.3239 177.3709 50 H 4.6936 7.3024 113.2938 55.3535 30.6009 173.4963 51 L 4.1209 8.0061 127.1835 55.3806 41.8837 176.3573 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 4.48 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 2 V 7.92 3.60 2.07 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 0.62 0.00 0.00 0.91 0.00 0.00 3 I 8.02 4.52 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.89 0.00 0.00 4 A 8.80 4.81 1.29 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 0.00 0.00 0.00 5 T 8.45 3.86 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 1.28 0.00 0.00 6 D 8.13 4.41 0.00 2.63 2.75 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 7 D 7.79 4.61 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.68 0.00 1.65 1.61 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.90 5.20 0.00 1.76 1.78 0.00 0.00 0.00 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 2.23 0.00 10 V 8.25 4.39 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 0.85 0.00 0.00 0.93 0.00 0.00 11 A 8.90 4.36 1.24 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 0.00 0.00 0.00 12 C 8.58 3.75 0.00 3.11 2.89 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 0.00 0.00 0.00 13 P 0.00 4.41 0.00 2.22 2.18 0.00 3.82 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 2.00 1.97 0.00 14 K 7.72 4.06 0.00 1.80 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.37 7.81 15 C 7.58 4.59 0.00 3.10 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 E 7.86 3.56 0.00 1.98 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 2.33 2.35 0.00 *26 C 7.95 4.27 0.00 2.98 2.86 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 27 P 0.00 4.28 0.00 2.22 2.08 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.20 4.10 1.29 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 0.00 0.00 0.00 29 C 7.99 4.58 0.00 3.30 3.16 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 0.00 0.00 0.00 0.00 30 S 8.33 4.02 0.00 4.11 3.99 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 31 G 8.09 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 0.00 0.00 0.00 32 K 7.79 3.93 0.00 2.02 1.95 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.53 7.81 33 G 7.97 3.71 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 0.00 0.00 0.00 34 V 6.65 4.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 35 I 8.37 4.64 1.89 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 1.26 1.10 0.96 0.00 0.00 36 L 8.46 4.60 0.00 0.99 1.12 0.26 0.71 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 37 T 8.58 4.38 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 1.22 0.00 0.00 38 A 8.84 4.10 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 39 Q 8.30 4.01 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 7.76 3.54 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 0.00 0.00 0.00 41 Y 7.95 4.10 0.00 3.28 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 42 T 8.21 4.07 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 43 L 7.76 3.97 0.00 1.68 1.70 0.92 0.76 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 44 L 8.05 3.97 0.00 1.77 1.68 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.98 4.44 0.00 2.95 2.81 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 0.00 0.00 0.00 46 F 8.21 4.04 0.00 3.40 3.27 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 0.00 47 I 8.21 3.72 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.77 0.95 0.00 0.00 48 Q 8.27 3.96 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 49 K 8.02 4.09 0.00 1.96 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 50 H 7.30 4.69 0.00 3.11 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.01 4.12 0.00 1.86 1.57 0.94 0.85 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 * Residues marked with a * may have inaccurate shift predictions.