NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.6554 8.1827 119.0113 56.6799 40.9175 176.8441 2 V 3.4981 7.8679 118.9853 65.4725 31.3729 175.6991 3 N 4.2544 9.0802 117.6460 57.2024 39.0008 176.1759 4 Q 4.0685 8.0501 118.6667 58.9841 28.8720 177.8656 5 H 4.1455 8.3350 119.4319 59.2067 29.7671 177.3184 6 L 3.9411 8.2383 121.0338 57.8530 41.3920 179.0199 7 C 4.2412 8.1769 118.6964 62.5527 31.5298 175.7396 8 G 3.6835 8.3619 107.5857 47.9150 0.0000 175.3324 9 S 3.9164 7.8820 115.3693 61.6231 62.3693 176.1515 10 H 4.1220 7.9323 118.7796 58.4202 28.3277 177.7465 11 L 3.9405 8.1166 121.3188 58.0666 41.4551 180.0379 12 V 3.3431 7.5893 112.1849 64.1630 31.4559 178.3334 13 E 3.9130 7.8828 118.9358 59.1807 29.4429 178.7328 14 A 4.0056 8.0576 120.8525 55.0899 18.3203 179.6217 15 L 3.6770 8.0521 117.9499 57.7609 40.9890 178.8549 16 Y 4.4828 7.9979 119.7297 60.9767 38.4723 178.5273 17 L 3.8232 7.6205 118.0626 57.7631 41.8716 179.3902 18 V 3.7060 7.8479 117.3198 66.2240 31.8123 177.6814 19 C 4.3183 8.6185 116.8961 60.7423 28.3664 175.1942 20 G 3.6710 8.2236 109.3210 46.0141 0.0000 176.1935 21 E 3.9993 9.0035 121.2918 59.3517 29.5030 178.5521 22 R 3.9025 7.9306 117.4164 57.2644 30.2617 178.0571 23 G 3.9297 8.9019 106.4065 45.4417 0.0000 171.5998 24 F 4.8991 7.4259 111.7261 56.5063 40.0008 172.7680 25 F 4.6763 9.1505 119.3773 55.6690 41.1666 174.6081 26 Y 4.7974 8.8042 125.2296 55.9707 40.4158 174.9771 27 T 4.3132 7.8349 117.5651 58.7441 69.7907 172.0478 28 P 4.1046 0.0000 0.0000 62.8836 31.3895 176.4372 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 F 8.18 4.66 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.50 2.10 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 1.05 0.00 0.00 0.94 0.00 0.00 3 N 9.08 4.25 0.00 2.81 2.83 0.00 0.00 7.17 6.88 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 4 Q 8.05 4.07 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 H 8.34 4.15 0.00 3.30 3.52 0.00 5.79 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 6 L 8.24 3.94 0.00 1.89 1.74 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.18 4.24 0.00 3.03 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 8 G 8.36 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 3.92 0.00 3.73 3.92 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 10 H 7.93 4.12 0.00 3.31 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.12 3.94 0.00 1.80 1.72 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.59 3.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.82 0.00 0.00 13 E 7.88 3.91 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 14 A 8.06 4.01 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 15 L 8.05 3.68 0.00 0.74 0.30 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.00 4.48 0.00 3.24 3.25 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 0.00 17 L 7.62 3.82 0.00 1.83 1.68 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.85 3.71 2.02 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 0.81 0.00 0.00 0.94 0.00 0.00 19 C 8.62 4.32 0.00 3.23 3.22 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 20 G 8.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.00 0.00 1.96 2.05 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 2.30 2.29 0.00 22 R 7.93 3.90 0.00 1.97 2.05 0.00 3.26 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 23 G 8.90 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 F 7.43 4.90 0.00 3.28 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 25 F 9.15 4.68 0.00 3.04 3.08 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 0.00 0.00 0.00 26 Y 8.80 4.80 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.83 4.31 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 P 0.00 4.10 0.00 2.23 2.19 0.00 3.71 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.