NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 K 4.2971 8.3149 120.1346 56.2533 34.3846 176.6068 46 D 4.6173 7.6247 118.5015 52.1292 39.2349 174.1037 47 G 3.6106 8.2796 111.5476 45.3786 0.0000 170.3609 48 D 4.9002 7.9956 118.3241 52.0382 43.2860 176.7083 49 Q 4.3484 8.6477 121.7292 56.3908 29.8739 176.6592 50 C 4.4924 7.7592 116.9101 56.1476 44.0332 173.7624 51 E 4.0585 8.0591 116.4509 56.7587 28.6088 176.5712 52 G 4.0457 7.5357 104.4297 45.0043 0.0000 173.3397 53 H 4.0175 8.2108 114.1306 56.0182 25.5721 172.6596 54 P 4.2977 0.0000 0.0000 64.9490 32.2155 178.7468 55 C 4.5763 7.8191 114.7289 55.7918 36.2321 172.8842 56 L 4.2641 8.2250 123.1629 53.5533 43.7022 176.2666 57 N 3.7961 9.1448 112.7900 56.7457 35.5393 174.9255 58 Q 3.0087 7.5826 119.8607 56.7660 28.0328 174.2107 59 G 3.8753 7.5045 105.3008 46.8312 0.0000 172.6797 60 H 4.6075 9.6565 120.9540 55.2665 31.3114 173.2985 61 C 5.2886 8.1137 124.2576 55.2089 44.5568 172.9351 62 K 3.8019 8.7220 126.2800 56.9887 35.8977 175.7798 *64 G 3.9892 9.1712 111.1919 45.5856 0.0000 173.8088 65 I 4.3872 8.6292 120.1452 60.0533 38.2473 175.4534 66 G 4.3803 8.0847 119.7813 46.1784 0.0000 174.1177 67 D 4.4033 7.7856 117.2931 53.1982 40.9915 176.3320 68 Y 3.4986 7.2882 114.9409 58.2031 39.5413 170.3324 69 T 4.7540 8.5214 107.6112 60.3164 72.5701 172.4434 70 C 5.4831 8.8666 120.3362 55.6612 41.7298 173.4081 71 T 4.8269 8.9717 114.4214 60.2392 71.3732 172.9007 72 C 5.0374 8.6332 119.7068 55.3929 39.9376 173.6864 73 A 4.2417 8.5733 124.4933 51.4977 18.8123 176.6914 74 E 4.0640 8.7266 120.2721 59.0242 29.2621 176.4947 75 G 4.3578 8.0878 125.4845 46.0358 0.0000 171.1959 76 F 5.2695 7.5245 118.3663 55.4485 41.0745 174.9822 77 E 4.7502 9.5454 120.0411 54.8629 32.6998 174.4193 78 G 4.4103 9.1487 106.8798 42.7796 0.0000 173.9707 79 K 3.8203 8.4412 121.9970 59.4589 32.0098 177.1660 80 N 4.8057 8.0154 112.8832 52.9271 38.8746 175.9827 81 C 4.0636 8.1657 113.9662 57.9624 37.9730 174.3499 82 E 3.7410 8.0754 122.8297 58.6269 29.6177 176.9047 83 F 5.0480 7.6014 117.4137 56.6661 40.7808 175.2511 84 S 5.1863 8.8100 116.5479 56.2543 66.1590 173.4802 85 T 4.2698 7.9729 110.7480 62.1453 68.9435 174.8192 86 R 4.0324 7.7566 127.9653 57.7635 30.0812 175.5144 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 45 K 8.31 4.30 0.00 1.77 1.94 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 46 D 7.62 4.62 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.28 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.00 4.90 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.65 4.35 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.43 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 50 C 7.76 4.49 0.00 2.81 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 51 E 8.06 4.06 0.00 1.91 1.85 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 2.22 2.24 0.00 52 G 7.54 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 0.00 0.00 0.00 53 H 8.21 4.02 0.00 3.15 3.02 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.30 0.00 2.03 1.64 0.00 3.59 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 55 C 7.82 4.58 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.22 4.26 0.00 1.70 1.44 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.14 3.80 0.00 1.79 2.04 0.00 0.00 6.98 7.57 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 58 Q 7.58 3.01 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.14 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 59 G 7.50 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.66 4.61 0.00 3.22 3.26 0.00 5.73 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 61 C 8.11 5.29 0.00 2.90 2.81 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 62 K 8.72 3.80 0.00 1.74 1.66 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 *64 G 9.17 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.63 4.39 1.86 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 1.35 0.70 0.91 0.00 0.00 66 G 8.08 4.38 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 0.00 0.00 0.00 67 D 7.79 4.40 0.00 2.56 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.29 3.50 0.00 3.21 2.99 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 0.00 0.00 0.00 69 T 8.52 4.75 4.27 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 1.20 0.00 0.00 70 C 8.87 5.48 0.00 2.93 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 71 T 8.97 4.83 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 72 C 8.63 5.04 0.00 3.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.06 0.00 1.94 1.95 0.00 0.00 0.00 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 2.36 0.00 75 G 8.09 4.36 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 0.00 76 F 7.52 5.27 0.00 3.10 3.14 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 77 E 9.55 4.75 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 78 G 9.15 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 3.82 0.00 1.73 1.89 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 80 N 8.02 4.81 0.00 2.67 2.79 0.00 0.00 7.02 7.64 0.00 0.00 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 C 8.17 4.06 0.00 3.16 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 82 E 8.08 3.74 0.00 1.63 1.23 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 1.96 2.14 0.00 83 F 7.60 5.05 0.00 3.32 2.88 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 0.00 0.00 0.00 0.00 84 S 8.81 5.19 0.00 3.77 4.11 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 85 T 7.97 4.27 4.20 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 1.28 0.00 0.00 86 R 7.76 4.03 0.00 1.78 1.84 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.