NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0504 8.3544 109.7489 45.4553 0.0000 174.4219 2 C 4.6351 9.0490 123.4106 57.1906 43.6082 173.8531 3 C 3.9932 8.3524 118.2422 57.8541 44.5387 172.8643 4 G 3.8127 7.5435 109.4714 47.3250 0.0000 173.6408 5 S 3.7754 8.9054 120.0305 59.4655 60.2792 171.1302 6 Y 4.6302 7.6774 115.1316 55.4816 42.0292 173.3669 7 P 4.4652 0.0000 0.0000 63.5590 31.8121 176.1368 8 N 5.0882 8.4350 113.4108 53.5573 40.7143 174.7997 9 A 4.0994 8.4749 120.6181 54.9669 18.4913 177.7765 10 A 4.5140 7.2908 113.7406 54.5275 21.2217 176.5842 11 C 3.6746 7.0853 112.2145 54.9033 43.4125 172.6873 12 H 4.9694 8.4238 124.9720 54.2336 32.6804 172.1790 13 P 5.0323 0.0000 0.0000 61.8555 30.1840 176.5261 14 C 4.8929 7.8877 120.4228 58.9444 51.0593 174.6607 15 S 3.9323 8.2083 112.2528 60.7841 62.1673 175.0314 16 C 4.3570 7.3391 116.7167 56.9765 40.5404 174.1859 17 K 4.0076 8.6014 121.5714 59.3589 31.8026 178.0551 18 D 4.8330 7.5478 121.1658 52.0076 41.9720 175.6491 19 R 3.5662 8.4356 123.4339 57.4984 28.5547 178.3892 *21 S 4.2771 9.1009 111.2350 57.0825 65.4224 175.8123 22 Y 4.2061 7.5000 120.3401 60.6612 37.5539 177.7774 23 C 4.7810 8.1956 117.0404 56.8226 45.2530 172.4856 24 G 4.0591 8.2158 105.5756 45.6917 0.0000 172.8719 25 Q 4.2832 9.2309 123.6735 56.7151 28.9426 172.2571 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 8.35 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.05 4.64 0.00 2.90 2.90 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 3 C 8.35 3.99 0.00 2.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.54 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.91 3.78 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.63 0.00 3.02 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 7 P 0.00 4.47 0.00 2.11 2.06 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 8 N 8.44 5.09 0.00 2.66 2.75 0.00 0.00 7.03 8.05 0.00 0.00 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 A 8.47 4.10 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 10 A 7.29 4.51 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.09 3.67 0.00 2.99 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 12 H 8.42 4.97 0.00 3.13 3.07 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.03 0.00 2.15 2.17 0.00 3.37 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 14 C 7.89 4.89 0.00 2.96 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 15 S 8.21 3.93 0.00 3.88 3.89 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 16 C 7.34 4.36 0.00 2.98 2.93 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 17 K 8.60 4.01 0.00 1.69 1.83 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.33 7.81 18 D 7.55 4.83 0.00 2.54 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 19 R 8.44 3.57 0.00 1.93 1.86 0.00 3.19 0.00 0.00 3.21 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 *21 S 9.10 4.28 0.00 4.01 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 22 Y 7.50 4.21 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.78 0.00 3.03 3.24 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 24 G 8.22 4.06 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 0.00 0.00 0.00 25 Q 9.23 4.28 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.