NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1632 8.2649 123.5766 52.2786 19.8465 176.3244 2 C 4.7999 8.0521 116.4579 55.2291 42.0569 171.7866 3 Y 4.8314 9.3179 118.6210 56.6783 42.6939 173.6958 4 C 5.3046 9.1027 121.1833 56.4857 41.0324 173.2005 5 R 4.9149 9.1156 123.4429 54.2907 33.0353 175.5324 6 I 4.5671 8.2364 122.4723 59.0059 39.9680 174.1007 7 P 4.4110 0.0000 0.0000 64.6080 31.9220 175.3910 8 A 4.5097 7.3242 119.2440 51.0465 21.8249 176.2044 9 C 4.4550 8.5178 117.2558 57.0410 41.5041 173.9441 10 I 4.2103 8.2137 115.7948 58.8152 39.0571 175.0183 11 A 4.1862 8.1869 123.6795 54.0184 18.3935 178.1393 12 G 3.9745 9.0525 110.5519 45.0523 0.0000 173.2011 13 E 4.8450 7.6549 118.0813 54.8332 31.9403 175.1269 14 R 4.6035 8.6209 118.8622 54.2158 34.4316 174.8684 15 R 4.6252 8.2152 122.0101 56.2808 30.3150 175.4989 16 Y 4.5640 8.8922 123.9490 57.5789 39.2343 176.6861 17 G 4.1862 7.3163 106.4309 46.2458 0.0000 171.8313 18 T 5.0757 8.5610 115.8925 62.1515 72.3653 174.2457 19 C 5.1510 8.9031 120.8072 55.2136 44.3809 172.8108 20 I 4.9606 8.3402 121.3929 59.8020 39.4817 174.4726 21 Y 4.4718 9.1655 129.0146 56.5133 40.4093 175.5811 22 Q 2.9540 9.3316 128.8017 56.9190 26.3006 175.1351 23 G 3.9327 8.2557 103.0661 45.3669 0.0000 173.2843 24 R 4.6215 7.9745 119.2954 54.1084 32.3838 176.1733 25 L 4.8822 8.4961 121.3525 53.1766 43.2221 175.6561 *27 A 4.1905 8.0927 119.9693 52.0522 20.3572 175.4267 28 F 5.2662 9.0728 125.1069 57.3469 40.9381 173.8477 29 C 5.5291 8.8623 124.1016 55.3067 42.4354 173.7550 30 C 4.6061 9.1014 119.5111 57.2150 42.1130 173.9489 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 A 8.26 4.16 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.05 4.80 0.00 2.73 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 0.00 0.00 0.00 0.00 3 Y 9.32 4.83 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.10 5.30 0.00 2.95 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 5 R 9.12 4.91 0.00 1.64 1.79 0.00 3.18 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 6 I 8.24 4.57 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.64 0.93 0.00 0.00 7 P 0.00 4.41 0.00 2.18 2.18 0.00 3.80 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 1.96 1.95 0.00 8 A 7.32 4.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.52 4.46 0.00 2.93 3.10 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 10 I 8.21 4.21 1.81 0.00 0.00 0.73 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 0.76 0.83 0.00 0.00 11 A 8.19 4.19 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 G 9.05 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.65 4.85 0.00 2.11 1.87 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 2.28 2.23 0.00 14 R 8.62 4.60 0.00 1.14 1.21 0.00 3.15 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 15 R 8.22 4.63 0.00 1.75 1.74 0.00 3.20 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 16 Y 8.89 4.56 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 17 G 7.32 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.56 5.08 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 1.25 0.00 0.00 19 C 8.90 5.15 0.00 2.94 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 20 I 8.34 4.96 1.88 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 1.25 0.63 0.91 0.00 0.00 21 Y 9.17 4.47 0.00 3.02 2.87 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 22 Q 9.33 2.95 0.00 1.35 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 23 G 8.26 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 24 R 7.97 4.62 0.00 2.11 1.90 0.00 3.24 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 25 L 8.50 4.88 0.00 1.66 1.65 0.94 0.97 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 *27 A 8.09 4.19 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 28 F 9.07 5.27 0.00 3.11 3.13 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 0.00 0.00 0.00 0.00 29 C 8.86 5.53 0.00 2.95 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 30 C 9.10 4.61 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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.