NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7677 8.3393 109.7404 45.4430 0.0000 172.3572 *3 S 4.2509 8.3736 119.0860 58.2801 64.0174 173.7530 4 F 4.5097 8.6614 119.1788 56.5691 37.7921 175.8755 5 C 4.8551 8.2944 125.0952 55.2392 41.3395 173.4070 6 K 4.4755 8.6244 125.3880 54.9453 35.1872 174.6746 7 A 4.7678 8.1535 122.4562 51.4358 20.9976 176.5724 8 D 4.6193 8.5011 116.3100 53.5194 41.2736 176.3829 9 E 4.0607 10.0404 122.8973 56.5677 30.4796 174.5587 10 K 4.1053 7.8395 117.3891 56.8074 32.5230 172.5717 *12 C 4.6472 8.2499 112.6780 55.5659 42.6314 173.4552 13 E 4.0343 8.8189 118.2683 58.4770 29.4275 176.8167 14 Y 4.3973 7.8403 113.3777 56.3364 41.2665 175.1147 15 H 4.5668 8.1253 117.3769 57.4764 29.8419 177.8019 16 A 4.0010 8.2478 121.8811 55.2654 18.3034 177.9466 17 D 4.9207 7.8239 113.4985 53.5343 41.8075 176.5618 18 C 4.9511 8.1669 116.1635 55.9307 47.1619 172.9660 19 C 4.7254 8.5231 123.2875 57.5413 40.4298 172.8448 20 N 4.7987 7.6154 122.9551 52.6196 43.0193 176.1284 21 C 4.8496 9.6052 129.4528 56.0333 46.9109 171.4441 22 C 4.9132 9.1691 124.3606 56.9640 36.0036 172.2494 23 L 4.6750 8.3247 130.7190 55.5436 43.8756 178.1964 24 S 3.6842 7.5133 109.3631 59.8785 65.5342 175.6806 25 G 4.1465 6.8513 106.3685 42.3208 0.0000 172.9122 26 I 4.4092 6.9391 117.0191 60.9232 42.7071 174.8083 27 C 4.9278 8.4812 123.7284 57.2359 41.8201 172.0519 28 A 4.8849 9.2934 131.1421 49.5823 22.1048 174.9865 *30 S 5.2015 8.1896 104.2231 59.0497 64.2054 174.5475 31 T 4.4828 6.7168 122.7428 62.3490 69.8604 175.0928 32 N 4.8381 5.7700 114.9097 51.1637 39.6225 174.7729 33 W 5.1868 7.4048 113.3515 56.8253 35.0341 175.0294 34 I 4.4485 8.0835 109.9169 59.8197 39.1445 175.1899 35 L 4.6802 7.6636 120.5649 51.6757 43.7808 174.1813 36 P 4.2709 0.0000 0.0000 62.7650 31.4246 174.4862 37 G 3.9384 7.6622 114.6970 45.4337 0.0000 172.0430 38 C 4.3478 7.8784 119.4904 52.7023 43.7880 174.1407 39 S 4.7288 8.3033 119.6051 58.2554 61.9143 174.9154 40 T 4.2604 7.8830 130.1938 62.6498 67.2483 175.2441 41 S 4.6756 7.2673 117.1543 57.6562 65.1202 176.4002 42 S 4.5862 8.5400 120.0630 58.5841 60.9439 175.7856 43 F 4.2143 7.8578 125.4578 55.7388 37.9348 174.5223 *45 K 4.1814 7.3462 120.0090 56.8031 34.1820 176.8213 46 I 4.1824 7.9565 118.1934 61.7379 38.0752 175.4780 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 G 8.34 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.25 0.00 4.11 4.02 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 4 F 8.66 4.51 0.00 2.93 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 5 C 8.29 4.86 0.00 2.97 2.92 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 6 K 8.62 4.48 0.00 1.69 1.72 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.33 7.81 7 A 8.15 4.77 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 8 D 8.50 4.62 0.00 3.00 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 9 E 10.04 4.06 0.00 2.04 2.13 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 2.18 2.24 0.00 10 K 7.84 4.11 0.00 1.99 2.00 0.00 1.29 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *12 C 8.25 4.65 0.00 3.17 3.23 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 13 E 8.82 4.03 0.00 2.31 2.22 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 2.36 2.38 0.00 14 Y 7.84 4.40 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.13 4.57 0.00 3.25 3.52 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.25 4.00 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 17 D 7.82 4.92 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.17 4.95 0.00 3.00 2.98 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 19 C 8.52 4.73 0.00 3.17 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 20 N 7.62 4.80 0.00 2.59 2.12 0.00 0.00 6.54 7.66 0.00 0.00 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 C 9.61 4.85 0.00 3.00 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 22 C 9.17 4.91 0.00 2.97 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 23 L 8.32 4.68 0.00 1.69 1.53 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.51 3.68 0.00 4.05 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 25 G 6.85 4.15 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 0.00 0.00 0.00 26 I 6.94 4.41 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.32 0.92 0.00 0.00 27 C 8.48 4.93 0.00 3.06 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 28 A 9.29 4.88 1.22 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 0.00 0.00 0.00 *30 S 8.19 5.20 0.00 4.32 4.21 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 31 T 6.72 4.48 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 1.16 0.00 0.00 32 N 5.77 4.84 0.00 1.89 1.42 0.00 0.00 6.50 7.89 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 33 W 7.40 5.19 0.00 3.36 3.30 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 34 I 8.08 4.45 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.85 1.09 0.00 0.00 35 L 7.66 4.68 0.00 1.59 1.56 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.27 0.00 2.11 1.99 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 37 G 7.66 3.94 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 0.00 0.00 0.00 38 C 7.88 4.35 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.30 4.73 0.00 3.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.88 4.26 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 1.20 0.00 0.00 41 S 7.27 4.68 0.00 3.61 3.91 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 42 S 8.54 4.59 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.86 4.21 0.00 2.94 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *45 K 7.35 4.18 0.00 1.85 1.89 0.00 1.38 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.51 7.81 46 I 7.96 4.18 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.