NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3209 8.1233 123.5820 52.2789 20.6806 178.6682 2 E 4.1183 8.1036 112.0074 56.6333 29.2030 173.9033 *4 E 4.3456 8.5900 123.1330 57.1282 32.2567 179.8108 5 Q 3.9052 7.9349 116.5562 54.9524 27.7696 180.1794 *7 K 4.2817 8.2749 121.4715 57.2750 34.0302 177.9883 8 K 4.0319 7.9685 118.0560 59.4068 31.5703 179.2479 9 E 4.0706 7.9855 118.3023 59.1981 29.5354 178.9275 10 I 3.9973 7.7648 119.3193 63.9480 37.1461 178.0104 11 A 4.0089 8.1647 121.3078 55.3405 18.0172 178.6324 12 Y 4.1395 8.1463 118.0879 60.5857 38.5078 178.2127 13 L 4.0774 7.3673 117.4648 55.7584 42.0525 177.3657 *15 K 4.2343 7.9974 119.9629 55.8781 33.7074 176.2927 16 K 4.0668 7.3038 115.7284 56.8797 31.6113 177.3680 *18 K 4.0311 8.0221 118.3239 56.3043 33.4373 176.5189 *20 E 4.2118 8.1345 118.8229 56.2834 31.2756 177.1067 21 I 3.9213 7.8109 118.0899 64.4060 37.3097 178.6903 22 L 4.0027 7.7054 120.0430 54.9778 40.7273 177.5756 *24 E 4.1237 8.1946 115.2348 56.3271 31.1790 178.1958 *26 K 4.4690 7.9881 120.3985 56.6291 34.2673 178.4740 27 K 4.0057 7.4226 114.4710 57.6071 31.3656 178.2999 *29 K 4.2002 8.1086 122.1648 56.5998 33.3819 177.8975 30 Q 4.0458 8.4792 118.0484 59.0038 28.2359 178.7819 31 E 4.0276 7.9336 118.8665 59.3249 29.6549 178.9527 32 I 3.9091 7.2862 117.1272 62.7552 37.2493 176.5340 33 A 4.2902 7.4602 125.9032 52.5004 18.3759 176.8824 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 A 8.12 4.32 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 2 E 8.10 4.12 0.00 2.03 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 2.31 2.41 0.00 *4 E 8.59 4.35 0.00 2.07 2.15 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 2.28 2.38 0.00 5 Q 7.93 3.91 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.17 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 *7 K 8.27 4.28 0.00 1.91 2.09 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 8 K 7.97 4.03 0.00 2.03 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 9 E 7.99 4.07 0.00 1.98 2.01 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 2.60 2.47 0.00 10 I 7.76 4.00 2.02 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 1.59 1.39 0.93 0.00 0.00 11 A 8.16 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 4.14 0.00 3.21 3.20 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 13 L 7.37 4.08 0.00 1.90 1.88 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 8.00 4.23 0.00 1.97 1.84 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.04 7.81 16 K 7.30 4.07 0.00 1.80 1.67 0.00 1.04 0.00 0.00 1.36 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.15 0.87 7.81 *18 K 8.02 4.03 0.00 1.78 1.97 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.41 7.81 *20 E 8.13 4.21 0.00 2.14 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 2.18 2.33 0.00 21 I 7.81 3.92 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.90 0.00 0.00 22 L 7.71 4.00 0.00 1.61 1.70 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *24 E 8.19 4.12 0.00 2.17 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 2.47 2.28 0.00 *26 K 7.99 4.47 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.68 7.81 27 K 7.42 4.01 0.00 2.17 1.82 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.38 7.81 *29 K 8.11 4.20 0.00 1.81 1.94 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 30 Q 8.48 4.05 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 31 E 7.93 4.03 0.00 1.97 2.01 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 2.34 2.55 0.00 32 I 7.29 3.91 1.99 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 1.45 0.46 0.91 0.00 0.00 33 A 7.46 4.29 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 * Residues marked with a * may have inaccurate shift predictions.