NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6041 8.4549 118.0256 57.1360 38.8526 172.4490 2 Y 4.7478 8.6043 117.5484 56.4002 42.7023 171.9218 3 C 5.6308 9.6728 120.3074 55.7002 42.3988 173.2808 4 R 5.2912 9.6180 122.2634 54.6083 34.3314 174.2873 5 I 4.9115 8.5678 121.9780 59.0842 40.1129 173.7738 6 P 4.4763 0.0000 0.0000 62.9709 31.9846 175.0214 7 A 4.5234 7.2537 119.8024 51.4062 21.7202 176.6129 8 C 4.5977 8.5605 117.1806 57.0260 40.8106 173.8693 9 I 4.2333 8.5619 122.0743 59.9536 37.7746 175.8355 10 A 4.1015 8.4396 126.3983 54.1414 18.5109 177.0624 11 G 4.0977 9.0704 110.5001 45.6269 0.0000 173.9198 12 E 4.5669 7.9719 118.2820 55.5262 30.8628 175.5257 13 R 4.5514 8.6462 119.3444 54.2050 33.3616 175.3488 14 R 4.3950 8.4892 124.2580 56.7699 29.8929 175.0956 15 Y 4.3233 8.9889 125.0704 59.5849 39.5403 176.5195 *17 T 4.5660 7.7198 113.4186 63.6840 70.0036 174.2121 18 C 5.2006 9.3185 120.6034 55.2912 44.2402 173.0131 19 I 5.2817 8.1472 121.7833 59.9490 39.4825 174.7152 20 Y 4.7715 9.5146 125.8576 58.0627 42.1218 174.1824 21 Q 3.1450 9.3328 125.4383 57.0655 26.3293 174.3692 22 G 3.9543 8.5393 101.8169 46.1133 0.0000 174.0936 23 R 4.6641 7.9677 117.3733 53.8994 33.6647 174.0613 24 L 5.2685 8.2038 119.5937 53.3441 43.1316 176.1100 25 W 4.9809 9.4611 123.2161 54.4768 33.2348 174.6729 26 A 4.5816 9.1186 124.9466 51.9538 19.4485 176.4102 27 F 5.2566 9.0452 125.1839 57.4364 40.9828 174.9550 28 C 5.4654 9.2275 124.3163 55.2625 42.0683 173.8104 29 C 4.5428 9.2290 120.2481 57.0967 41.9134 173.9673 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 C 8.45 4.60 0.00 2.77 2.71 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 2 Y 8.60 4.75 0.00 2.92 2.84 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 3 C 9.67 5.63 0.00 2.52 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 4 R 9.62 5.29 0.00 1.85 1.90 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 5 I 8.57 4.91 1.52 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.16 0.70 0.00 0.00 6 P 0.00 4.48 0.00 2.15 2.11 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 7 A 7.25 4.52 1.23 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 0.00 0.00 0.00 8 C 8.56 4.60 0.00 2.98 3.06 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 0.00 0.00 0.00 9 I 8.56 4.23 1.87 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 1.24 0.99 0.90 0.00 0.00 10 A 8.44 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 11 G 9.07 4.10 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 0.00 0.00 0.00 12 E 7.97 4.57 0.00 2.10 1.92 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 2.37 2.36 0.00 13 R 8.65 4.55 0.00 1.50 1.24 0.00 3.19 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 14 R 8.49 4.40 0.00 1.80 1.80 0.00 3.26 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 15 Y 8.99 4.32 0.00 2.74 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 *17 T 7.72 4.57 4.32 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 1.37 0.00 0.00 18 C 9.32 5.20 0.00 2.89 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 19 I 8.15 5.28 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 1.01 0.00 0.00 20 Y 9.51 4.77 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 9.33 3.15 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.23 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 22 G 8.54 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 0.00 0.00 0.00 23 R 7.97 4.66 0.00 1.94 1.39 0.00 2.97 0.00 0.00 2.83 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.70 0.00 24 L 8.20 5.27 0.00 1.50 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 W 9.46 4.98 0.00 3.30 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 26 A 9.12 4.58 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 27 F 9.05 5.26 0.00 3.17 3.12 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 0.00 0.00 0.00 28 C 9.23 5.47 0.00 2.90 3.06 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 0.00 0.00 0.00 29 C 9.23 4.54 0.00 2.91 2.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.