NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0920 8.0249 121.4495 59.8726 38.2162 176.1730 13 P 4.1141 0.0000 0.0000 62.8114 33.4576 173.8434 14 E 3.9818 8.7306 122.1736 59.2373 30.1308 179.2526 15 W 4.4652 8.4886 116.0958 59.2995 27.8592 178.0316 16 K 3.2433 7.0085 118.8305 58.6482 31.4868 178.9309 17 Q 3.9223 7.4142 117.5994 58.6454 28.6174 178.5188 18 E 4.1064 8.7494 120.0238 59.3663 29.5969 178.7280 19 E 3.9238 7.9738 119.2851 59.5688 29.6865 178.8966 20 V 3.5627 7.6316 117.9621 66.2537 31.3859 177.7056 21 D 4.2619 7.7796 118.1649 57.3314 40.5038 178.2551 22 A 4.0212 8.1013 121.1284 55.5014 18.2251 179.9306 23 I 3.7037 7.8912 118.0460 64.6405 37.1181 178.7296 24 V 3.6155 7.6101 117.4433 65.8573 31.4598 177.7809 25 E 4.0874 8.2726 118.5101 59.8167 29.0833 179.1534 26 M 4.2147 7.7035 119.5642 57.8605 31.7501 178.9707 27 I 3.8261 7.7359 119.4008 64.1910 37.2357 177.9000 28 E 4.1611 8.0594 119.2330 58.5886 29.4021 178.3424 29 S 4.3718 7.6289 112.1521 58.7928 64.4335 174.5450 *63 R 4.2119 7.2860 120.0169 55.5236 31.3965 175.7673 64 N 4.3093 8.9327 119.9177 56.8661 38.5233 177.5789 65 T 3.8927 7.8769 110.4249 64.9987 68.7706 176.3513 66 L 4.0124 7.7125 121.2417 57.0016 41.6527 179.3756 67 L 3.9334 7.9816 119.1823 57.9836 41.6677 179.1693 68 E 4.0029 8.5884 118.8718 59.3656 29.0811 179.6334 69 R 3.7673 7.7238 117.6644 59.3854 30.5520 177.9834 70 A 4.1221 8.3294 120.9418 55.1576 18.1346 179.5582 71 L 3.8900 8.0504 116.5407 58.1890 41.9029 179.2882 72 D 4.4642 7.7684 116.9413 56.5766 40.8443 176.6695 73 D 4.5253 7.7559 123.5682 54.2768 41.0705 176.0653 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 12 I 8.02 4.09 1.85 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 1.06 0.87 0.00 0.00 13 P 0.00 4.11 0.00 2.02 2.31 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 14 E 8.73 3.98 0.00 2.09 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 2.41 2.39 0.00 15 W 8.49 4.47 0.00 3.68 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.01 3.24 0.00 1.46 1.39 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.41 3.92 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 18 E 8.75 4.11 0.00 2.00 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 0.00 2.35 2.47 0.00 19 E 7.97 3.92 0.00 2.26 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 2.37 0.00 20 V 7.63 3.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.86 0.00 0.00 21 D 7.78 4.26 0.00 2.91 2.68 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 22 A 8.10 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.70 2.00 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 1.41 0.87 0.91 0.00 0.00 24 V 7.61 3.62 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 25 E 8.27 4.09 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 26 M 7.70 4.21 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 27 I 7.74 3.83 2.02 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 1.52 0.73 0.91 0.00 0.00 28 E 8.06 4.16 0.00 2.17 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 2.34 2.43 0.00 29 S 7.63 4.37 0.00 4.08 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 *63 R 7.29 4.21 0.00 1.95 1.96 0.00 3.25 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 64 N 8.93 4.31 0.00 2.76 2.89 0.00 0.00 6.89 7.05 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 65 T 7.88 3.89 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 1.21 0.00 0.00 66 L 7.71 4.01 0.00 1.82 1.69 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.98 3.93 0.00 1.82 1.70 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.59 4.00 0.00 2.09 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 2.33 2.62 0.00 69 R 7.72 3.77 0.00 1.99 2.06 0.00 3.29 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 70 A 8.33 4.12 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 71 L 8.05 3.89 0.00 1.59 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.77 4.46 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.76 4.53 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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.