NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.5129 8.3249 119.0070 56.5562 38.4790 173.2881 2 V 3.8007 7.9810 120.2545 59.0671 31.2872 175.0135 3 N 4.5771 8.4180 123.1163 53.0276 40.1340 173.8508 4 Q 4.5037 8.0274 117.7477 54.3067 30.8284 174.6866 5 H 4.0670 8.8708 114.8242 56.5209 28.7448 174.9697 6 L 4.7890 8.4455 124.1743 53.0760 43.7098 175.5922 7 C 4.9401 7.9951 119.1873 58.3609 33.4670 175.5956 8 G 3.8987 8.2862 109.6623 47.4258 0.0000 177.4644 9 S 4.1316 8.4417 117.7637 60.7821 63.1526 175.8493 10 H 4.2041 7.9492 119.9652 58.5260 28.4596 177.2206 11 L 3.9029 7.5394 121.1421 58.2200 41.9740 179.4153 12 V 3.3959 7.3194 112.3135 63.7659 31.3072 178.3437 13 E 3.9691 8.1746 118.5173 59.4361 29.3199 179.1646 14 A 3.9485 7.9573 120.6283 55.0151 18.3005 179.7310 15 L 3.5039 7.2905 116.9805 57.7748 41.4056 178.7365 16 Y 4.2756 7.5610 119.3839 60.9488 38.4824 178.2217 17 L 3.5958 7.3894 119.6408 58.0748 42.3133 178.7712 18 V 3.6205 7.6301 117.0852 65.4348 31.5402 176.8038 19 C 4.4714 8.3183 116.0235 58.7826 29.6686 175.6082 20 G 3.5687 9.2734 110.1747 46.0193 0.0000 176.9591 21 E 4.0675 8.9366 121.7680 58.8524 29.4225 178.4263 22 R 3.9201 7.6996 118.6700 57.1198 30.3631 177.6373 23 G 3.8977 9.4613 105.5281 45.5735 0.0000 171.5708 24 F 4.7898 7.7007 111.9023 56.2200 39.9838 172.7555 25 F 4.9019 8.3003 115.7822 55.0767 39.7303 174.0679 26 Y 4.8556 8.9720 126.1575 56.4727 38.9152 174.9981 27 T 4.4646 8.0356 118.5542 58.6392 68.7289 171.9282 28 P 4.1775 0.0000 0.0000 65.8696 31.9352 179.4522 29 K 3.9365 7.9965 117.2073 59.2060 32.4818 176.6744 30 T 4.0305 7.5558 121.0205 63.9497 68.2324 173.8900 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 8.32 4.51 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.80 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 0.84 0.00 0.00 0.93 0.00 0.00 3 N 8.42 4.58 0.00 2.70 2.77 0.00 0.00 7.08 7.69 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 4 Q 8.03 4.50 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 5 H 8.87 4.07 0.00 3.10 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.45 4.79 0.00 1.59 1.55 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.00 4.94 0.00 2.96 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 8 G 8.29 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 0.00 0.00 0.00 9 S 8.44 4.13 0.00 3.94 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 10 H 7.95 4.20 0.00 3.33 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.54 3.90 0.00 1.81 1.78 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.32 3.40 2.07 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 0.08 0.00 0.00 0.87 0.00 0.00 13 E 8.17 3.97 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 14 A 7.96 3.95 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 15 L 7.29 3.50 0.00 0.81 0.13 0.65 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.56 4.28 0.00 3.27 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 17 L 7.39 3.60 0.00 1.89 1.61 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.63 3.62 2.03 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 0.80 0.00 0.00 0.86 0.00 0.00 19 C 8.32 4.47 0.00 3.11 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 20 G 9.27 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.07 0.00 2.10 2.11 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 2.26 2.34 0.00 22 R 7.70 3.92 0.00 1.82 2.07 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 23 G 9.46 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 0.00 0.00 0.00 24 F 7.70 4.79 0.00 2.87 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 25 F 8.30 4.90 0.00 3.20 3.07 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 0.00 0.00 0.00 0.00 26 Y 8.97 4.86 0.00 3.17 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 27 T 8.04 4.46 4.24 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 1.29 0.00 0.00 28 P 0.00 4.18 0.00 2.11 1.97 0.00 3.27 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.44 0.00 29 K 8.00 3.94 0.00 1.86 1.97 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.46 7.81 30 T 7.56 4.03 4.30 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.