NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.5562 8.3231 115.4154 57.9067 66.7611 173.8222 16 G 3.6883 8.2419 109.5683 45.3459 0.0000 175.0796 17 N 4.7691 9.8597 119.4599 51.8189 38.6768 170.6208 18 T 4.8073 7.6786 116.2543 61.6657 72.8785 174.7646 19 G 4.2283 8.3688 113.8145 45.0441 0.0000 172.6466 20 S 4.6604 8.1294 115.4844 57.0119 64.2704 174.7043 21 I 4.0430 8.2732 117.3443 62.5697 38.2784 176.4118 22 I 4.2024 7.3840 112.9062 59.0926 38.8704 174.9190 23 N 4.3858 8.4686 120.2754 53.4685 39.3830 174.3046 24 N 4.5350 8.5206 122.7262 53.7506 39.6579 174.5470 25 Y 3.9462 8.6441 125.0262 59.6644 39.2574 175.2051 26 Y 4.5957 8.0978 116.6115 56.1678 40.2733 175.9267 27 M 4.3926 8.2971 121.5610 55.2305 34.1986 177.6295 28 Q 4.0415 8.5966 121.0325 59.2271 29.0956 177.7636 29 Q 4.0333 8.2021 118.9359 58.1350 29.2066 176.3892 30 Y 4.0881 7.7834 115.9261 60.0320 39.2063 177.1103 31 Q 4.2097 8.3664 119.6637 57.7083 29.3834 175.3586 32 N 5.1184 7.7601 114.9707 50.8888 42.7900 173.9870 33 S 4.3787 8.3889 113.9218 58.4605 63.9998 173.2653 34 M 4.5506 8.1750 120.7187 53.8319 33.5195 175.9090 35 D 4.7502 8.4257 122.7584 53.7201 42.2623 175.7005 36 T 4.7607 8.1164 110.6506 59.9388 71.9470 172.9856 37 Q 4.7110 8.3941 119.9406 53.9754 32.0097 174.8429 38 L 4.6647 8.2981 121.2053 54.1702 44.8378 175.1225 39 G 3.5815 8.2832 114.5628 46.2197 0.0000 173.5786 *65 N 4.4877 7.9863 116.0017 56.6137 42.2710 176.3790 66 D 4.2699 7.6813 123.7790 54.6428 42.6168 176.6631 67 W 4.0216 9.3006 135.0000 61.5744 30.7183 176.3551 68 F 3.8788 8.3348 116.3949 59.4093 38.3469 177.6182 69 S 4.0801 7.9429 113.3565 61.2333 62.2746 176.0518 70 K 3.7997 7.7404 121.1635 59.1841 31.5139 178.9253 71 L 3.4840 7.3439 119.4078 58.0129 42.2281 178.5961 72 A 4.1169 8.0550 120.6631 55.4360 18.1613 179.8435 73 S 4.1443 8.1860 112.8640 61.2336 62.9248 176.1801 74 S 4.3467 7.6266 114.3578 57.7199 63.5556 174.3698 75 A 4.0512 7.2672 126.2807 52.4592 18.6911 177.0801 76 F 4.5718 8.7568 124.2118 58.2089 39.9742 175.7251 77 S 4.5161 8.0432 125.5038 58.1427 64.4354 174.9460 78 G 3.8249 5.3800 111.9548 45.1742 0.0000 171.5561 79 L 4.9606 7.7774 125.5282 55.4492 43.9164 174.6776 80 F 4.8180 8.6735 119.2970 59.0873 44.1238 176.4513 81 G 3.9288 8.3518 108.7842 45.1776 0.0000 171.5890 82 A 4.6868 8.4290 122.7108 50.4332 20.9047 176.5859 83 L 4.5441 8.1944 123.0812 53.6266 43.7627 176.0611 84 L 4.3129 7.9261 124.4234 54.4548 44.1262 175.8162 85 A 4.0145 8.7549 128.1756 52.6440 18.3331 177.0973 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 15 S 8.32 4.56 0.00 4.01 4.08 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 16 G 8.24 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.86 4.77 0.00 2.69 2.75 0.00 0.00 6.62 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.68 4.81 4.26 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 1.23 0.00 0.00 19 G 8.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.66 0.00 4.01 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 21 I 8.27 4.04 1.88 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 1.48 0.56 0.92 0.00 0.00 22 I 7.38 4.20 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.92 0.00 0.00 23 N 8.47 4.39 0.00 2.69 2.77 0.00 0.00 6.97 7.79 0.00 0.00 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 N 8.52 4.53 0.00 2.79 2.91 0.00 0.00 7.00 7.54 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 25 Y 8.64 3.95 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.60 0.00 3.23 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.30 4.39 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 28 Q 8.60 4.04 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 29 Q 8.20 4.03 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 30 Y 7.78 4.09 0.00 3.19 3.05 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 31 Q 8.37 4.21 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 32 N 7.76 5.12 0.00 2.69 2.66 0.00 0.00 7.07 7.09 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 33 S 8.39 4.38 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.17 4.55 0.00 2.00 1.99 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 2.50 2.44 0.00 35 D 8.43 4.75 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.12 4.76 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 1.20 0.00 0.00 37 Q 8.39 4.71 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 38 L 8.30 4.66 0.00 1.54 1.50 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.28 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.49 0.00 2.89 2.84 0.00 0.00 7.13 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.68 4.27 0.00 2.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.30 4.02 0.00 3.34 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.33 3.88 0.00 3.33 3.19 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 0.00 0.00 0.00 0.00 69 S 7.94 4.08 0.00 4.00 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 70 K 7.74 3.80 0.00 1.55 1.57 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.59 7.81 71 L 7.34 3.48 0.00 0.80 1.51 0.57 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.06 4.12 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 73 S 8.19 4.14 0.00 3.86 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 74 S 7.63 4.35 0.00 3.97 3.98 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 0.00 0.00 0.00 75 A 7.27 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.76 4.57 0.00 2.93 3.05 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 77 S 8.04 4.52 0.00 3.65 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 5.38 3.82 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 0.00 0.00 0.00 79 L 7.78 4.96 0.00 1.58 1.57 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.67 4.82 0.00 3.11 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.35 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 82 A 8.43 4.69 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 83 L 8.19 4.54 0.00 1.62 1.58 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.93 4.31 0.00 1.57 1.50 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.75 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.