NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3980 8.3001 118.1944 55.3270 32.6756 174.9139 2 A 4.1434 8.5199 121.9139 52.0204 19.7752 176.3926 3 D 4.8140 8.5116 114.4826 52.3755 42.0201 174.4482 4 E 4.3564 8.5570 118.6978 57.0133 30.0306 177.2307 5 S 4.8875 7.8927 114.1844 58.0921 63.5313 176.2027 6 S 4.2495 7.9826 118.0274 61.0629 62.3100 175.7393 7 D 4.4479 8.2167 121.7831 56.1993 38.7083 178.0484 8 A 4.1805 7.7193 120.0604 54.0231 19.3944 178.9626 9 A 4.1732 8.0311 118.2531 54.8598 19.0357 178.4851 10 G 4.0449 8.7680 111.5577 45.5460 0.0000 175.6087 11 E 4.4126 8.6521 127.0620 53.6301 29.9375 174.1596 12 P 4.5128 0.0000 0.0000 62.1751 32.2398 176.1692 13 Q 4.3397 8.3740 120.2317 54.4847 29.8790 173.7265 14 P 4.3503 0.0000 0.0000 62.3581 32.1833 175.9919 15 A 4.1986 8.3722 125.2367 51.0360 19.1191 175.4348 16 P 4.3781 0.0000 0.0000 62.2260 32.2776 176.0636 17 A 4.2351 8.3500 124.8783 50.9701 19.2045 175.5051 18 P 4.4606 0.0000 0.0000 62.3052 32.3028 176.6449 19 V 4.0013 8.0690 120.9567 60.8842 32.6239 175.9736 20 R 4.2856 8.2825 118.3038 55.9285 29.0465 176.4173 21 R 4.5438 8.2794 114.7335 55.8877 30.3054 178.1864 22 R 4.1561 7.6927 117.1107 55.9184 28.5004 177.2699 *25 A 4.4363 7.9945 122.2855 53.4146 21.1813 179.3371 26 N 4.4909 7.7068 111.8224 56.3711 38.5973 177.0900 27 Y 4.1489 8.0597 120.9512 60.3542 38.9790 177.5435 28 R 4.0338 8.1521 116.5223 58.9197 29.6828 178.4598 29 A 4.2305 7.7860 121.9524 54.5214 18.3735 178.6256 30 Y 4.0059 7.5192 116.3827 60.1345 38.8825 177.2870 31 A 4.1005 7.3939 120.4523 54.1822 19.0282 177.2232 32 T 4.0840 8.4500 112.3993 61.7504 69.0732 174.1948 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 4.40 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 2 A 8.52 4.14 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 3 D 8.51 4.81 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 4.36 0.00 1.96 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 2.28 2.38 0.00 5 S 7.89 4.89 0.00 4.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.98 4.25 0.00 3.86 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 7 D 8.22 4.45 0.00 2.86 2.94 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 8 A 7.72 4.18 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 9 A 8.03 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 4.04 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 0.00 11 E 8.65 4.41 0.00 2.08 1.99 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 2.21 2.28 0.00 12 P 0.00 4.51 0.00 2.20 2.09 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 13 Q 8.37 4.34 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 14 P 0.00 4.35 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 15 A 8.37 4.20 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 16 P 0.00 4.38 0.00 2.19 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 17 A 8.35 4.24 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 18 P 0.00 4.46 0.00 2.19 2.06 0.00 3.76 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 1.98 1.95 0.00 19 V 8.07 4.00 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 0.77 0.00 0.00 0.93 0.00 0.00 20 R 8.28 4.29 0.00 1.94 1.96 0.00 2.99 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 21 R 8.28 4.54 0.00 2.00 2.18 0.00 2.98 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 22 R 7.69 4.16 0.00 1.93 2.07 0.00 3.11 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 *25 A 7.99 4.44 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 26 N 7.71 4.49 0.00 2.94 2.92 0.00 0.00 6.82 7.38 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 27 Y 8.06 4.15 0.00 3.10 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 28 R 8.15 4.03 0.00 2.13 2.27 0.00 3.05 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 29 A 7.79 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.01 0.00 2.98 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 31 A 7.39 4.10 1.25 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 32 T 8.45 4.08 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.