NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2032 8.2993 120.1288 56.2193 34.0346 175.0714 2 T 3.9973 7.5053 105.5809 59.4189 71.9410 170.8579 3 Y 5.0987 7.9644 118.9617 56.1757 41.0670 176.4477 4 Q 4.9469 8.4703 121.3131 54.1433 31.1340 174.5698 5 C 3.7304 8.5292 121.8034 59.4561 32.4509 173.2776 6 Q 4.4548 8.1898 122.4228 56.1938 28.9717 175.8198 7 Y 4.7524 7.8386 114.7298 60.2031 42.0753 174.3159 8 C 5.0863 7.9642 113.2980 56.4431 31.9610 171.9325 9 E 4.3571 8.6401 121.5764 54.8658 30.3075 176.4363 *11 R 4.2584 8.3431 124.7143 56.2669 31.4254 175.2406 12 S 4.7267 8.9644 117.4442 56.9176 66.7910 174.2370 13 A 4.1557 8.4514 122.0485 51.8452 18.7506 175.2907 14 D 5.1929 7.7966 114.2047 52.1390 44.7951 175.6329 15 S 4.1929 8.4596 113.6378 60.3744 62.7129 175.3444 16 S 4.0752 7.9911 115.2630 61.7427 62.1045 175.6849 17 N 4.2926 8.5197 118.7261 56.6587 38.3858 177.0380 18 L 4.0324 7.4999 120.4891 57.9439 42.1395 178.8538 19 K 3.9528 8.3180 119.6386 59.9284 31.8470 178.4092 20 T 3.8619 8.1395 116.1889 67.2452 68.3566 175.3139 21 H 4.0794 8.3078 119.5071 59.8272 29.6995 176.5520 22 I 3.6428 8.0870 120.9372 64.8150 37.1424 178.2866 23 K 3.9244 7.9461 120.0512 59.5861 31.8841 177.5902 24 T 4.2690 7.3758 110.7205 63.2527 68.2657 175.9548 25 K 4.1898 8.1061 118.9516 57.4585 32.4229 177.0924 26 H 4.6574 8.0774 114.6288 56.0302 31.1992 174.3855 27 S 3.8972 8.1937 112.3859 58.4237 60.4607 172.8747 28 K 4.3275 7.9407 117.2154 57.2801 34.6961 175.7102 29 E 4.6834 7.7025 115.8112 53.9609 32.9475 175.6172 30 K 4.1782 8.4577 119.7439 56.6798 32.4076 175.6597 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 K 8.30 4.20 0.00 1.71 1.87 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 2 T 7.51 4.00 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 1.08 0.00 0.00 3 Y 7.96 5.10 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 4 Q 8.47 4.95 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.06 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 5 C 8.53 3.73 0.00 3.01 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 6 Q 8.19 4.45 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 7 Y 7.84 4.75 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 5.09 0.00 3.14 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 9 E 8.64 4.36 0.00 1.91 1.89 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 2.18 2.35 0.00 *11 R 8.34 4.26 0.00 1.84 1.86 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 12 S 8.96 4.73 0.00 3.89 3.76 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 13 A 8.45 4.16 1.16 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 0.00 0.00 14 D 7.80 5.19 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.46 4.19 0.00 3.82 3.79 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 16 S 7.99 4.08 0.00 3.94 4.01 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 0.00 0.00 0.00 17 N 8.52 4.29 0.00 2.92 2.91 0.00 0.00 6.76 6.07 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 18 L 7.50 4.03 0.00 1.91 1.85 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.32 3.95 0.00 1.89 1.97 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.53 7.81 20 T 8.14 3.86 4.50 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 1.23 0.00 0.00 21 H 8.31 4.08 0.00 3.28 3.52 0.00 5.80 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 22 I 8.09 3.64 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.95 0.96 0.00 0.00 23 K 7.95 3.92 0.00 1.82 2.04 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 24 T 7.38 4.27 4.22 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 0.00 0.00 0.00 1.29 0.00 0.00 25 K 8.11 4.19 0.00 1.36 1.65 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 26 H 8.08 4.66 0.00 3.08 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.19 3.90 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.33 0.00 1.66 1.74 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.93 7.81 29 E 7.70 4.68 0.00 1.54 1.93 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 1.96 1.90 0.00 30 K 8.46 4.18 0.00 1.75 1.68 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.