NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3979 8.0333 110.9370 61.3097 70.3092 174.1673 3 W 4.0527 8.5859 120.4770 58.4077 29.3348 175.3980 4 E 4.4743 8.7843 119.6292 58.3251 29.6332 178.1560 5 A 4.0605 7.9647 121.0331 54.8578 18.3926 179.4582 6 W 4.0280 7.8649 125.9320 60.4812 30.7833 178.1188 7 D 4.1755 8.7018 119.0268 57.4417 40.4520 179.0119 8 R 3.9002 7.9776 118.0228 59.3012 30.1829 179.0586 9 A 4.0878 7.9689 120.3227 54.6326 18.2221 179.9312 10 I 3.4457 7.8976 118.8196 64.4245 36.9669 178.1037 11 A 3.8880 7.5609 120.0748 55.4768 18.2212 179.2178 12 E 4.0137 7.7864 115.2424 59.6230 29.8840 178.7636 13 Y 3.7874 7.5646 118.5762 60.2598 38.8266 178.6688 14 A 3.9964 8.5484 121.1977 52.2803 18.3664 179.3470 *16 R 4.0108 7.8991 121.0962 58.1302 31.9084 176.8614 17 I 3.8505 7.4912 118.0654 64.6589 37.1680 180.8580 18 E 4.2720 8.0820 119.2827 56.3078 28.4808 179.0028 *20 L 4.3640 7.9124 118.4615 55.0511 43.8371 181.1240 21 I 3.7463 7.7708 118.9476 61.5052 37.0925 178.5171 *23 A 4.0882 8.2316 123.0417 52.2771 19.7285 178.6492 24 A 4.0085 7.9586 119.3919 54.4305 18.8389 178.5939 25 Q 3.6885 8.6199 115.9348 56.8917 29.8895 179.3071 *27 Q 4.3087 7.8876 118.6086 56.0918 30.9285 177.2801 28 Q 4.0780 8.0985 117.6006 56.3676 29.7789 180.0382 *30 K 4.2281 8.2538 117.5171 56.7955 34.2963 177.5522 31 N 4.4500 8.3607 115.9777 56.5703 38.4735 178.7367 32 E 4.1603 8.2190 115.6796 56.4898 29.1638 177.4024 *34 A 4.3976 8.1283 122.0101 51.6666 20.4518 179.5653 35 L 4.5396 7.7242 117.8478 55.1410 41.0795 178.0350 *37 E 4.3377 7.8813 117.1292 55.9366 31.8159 176.3458 38 L 4.2155 7.8973 122.3802 55.0519 41.7237 176.9421 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 2 T 8.03 4.40 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 3 W 8.59 4.05 0.00 3.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.47 0.00 2.09 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 0.00 2.52 2.40 0.00 5 A 7.96 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.86 4.03 0.00 3.20 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 7 D 8.70 4.18 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 3.90 0.00 2.15 2.13 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 9 A 7.97 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.45 1.47 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.63 0.00 0.00 11 A 7.56 3.89 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 12 E 7.79 4.01 0.00 1.99 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 2.32 2.39 0.00 13 Y 7.56 3.79 0.00 3.35 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.55 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.01 0.00 1.47 1.80 0.00 2.84 0.00 0.00 2.52 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.48 0.00 17 I 7.49 3.85 2.11 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 1.36 0.50 0.92 0.00 0.00 18 E 8.08 4.27 0.00 1.92 1.97 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 2.34 2.45 0.00 *20 L 7.91 4.36 0.00 1.85 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.77 3.75 1.86 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 1.23 0.70 0.91 0.00 0.00 *23 A 8.23 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.62 3.69 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 *27 Q 7.89 4.31 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 28 Q 8.10 4.08 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.39 6.17 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 *30 K 8.25 4.23 0.00 1.89 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 31 N 8.36 4.45 0.00 2.91 2.86 0.00 0.00 6.73 7.29 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 32 E 8.22 4.16 0.00 2.09 1.94 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 2.32 2.30 0.00 *34 A 8.13 4.40 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 35 L 7.72 4.54 0.00 1.83 1.85 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *37 E 7.88 4.34 0.00 2.16 1.98 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 2.21 2.28 0.00 38 L 7.90 4.22 0.00 1.63 1.57 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.