NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 M 4.8002 8.1627 120.3496 55.6612 34.5927 176.7224 46 K 4.0274 8.0055 123.8494 58.6067 32.8480 177.3156 47 N 4.3529 8.3362 117.1156 56.9305 38.5502 176.4669 48 T 3.9472 7.8116 113.8556 64.9695 67.3660 175.8408 49 E 4.0082 7.6827 119.3736 58.9688 29.9968 178.3755 50 I 3.9965 7.7271 119.6724 63.5275 37.0956 177.7677 51 W 4.6140 8.2499 118.6674 58.3830 29.1428 177.7545 52 D 4.3818 7.9394 118.0902 57.2730 40.7824 177.4637 53 N 4.5976 7.6456 113.3838 54.6119 38.6920 175.7157 54 L 4.2373 7.4482 117.5735 55.3296 42.6866 176.7691 55 L 4.5032 7.9530 116.4201 54.2065 44.4782 176.7721 56 N 4.9114 9.3596 120.5661 51.9985 42.1995 175.2149 57 G 4.0549 8.9568 103.2610 44.7438 0.0000 173.8768 58 K 4.4128 7.6990 118.5646 55.7248 35.1230 175.2432 59 I 3.9919 9.1357 128.0927 62.6176 35.0086 175.3419 60 S 4.9671 7.9545 111.0746 58.0565 63.3839 175.8626 61 V 3.6255 7.6124 121.9686 64.2807 31.3543 176.8623 62 D 4.5285 7.8550 117.9205 55.1480 40.5814 176.4944 63 E 4.4762 7.6938 116.6205 57.8577 31.7472 177.5917 64 A 4.0856 9.0947 121.2731 55.4290 18.3333 179.8958 65 K 4.1085 7.6998 117.0117 59.4761 32.1543 179.7096 66 R 3.9433 7.8982 118.6554 59.2266 29.6813 178.1433 67 L 4.2302 8.6403 120.6853 57.2283 41.2400 179.2621 68 F 4.3322 8.2677 120.1895 61.6141 39.1486 177.0777 69 E 3.5471 8.4508 116.8046 58.9773 28.8920 178.9915 70 D 4.4859 7.9496 119.3185 57.5899 41.1252 178.3293 71 N 4.5402 7.7361 116.9868 55.8150 38.2574 176.6533 72 Y 3.9771 7.4102 119.4461 59.4904 38.8979 176.8588 73 K 4.4952 8.1609 117.7072 56.8411 32.6028 177.2099 74 D 4.6141 7.9523 119.9792 56.0320 40.9344 178.1399 75 Y 3.9980 8.3415 116.4126 59.8647 38.2170 176.1069 76 E 4.5871 7.5250 120.5228 56.1166 30.0578 176.7788 *77 K 4.1054 8.0906 125.2976 56.0151 32.4708 177.6686 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 M 8.16 4.80 0.00 2.56 2.22 0.00 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 46 K 8.01 4.03 0.00 1.90 1.86 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.59 7.81 47 N 8.34 4.35 0.00 2.77 2.68 0.00 0.00 6.79 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 48 T 7.81 3.95 4.28 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 1.38 0.00 0.00 49 E 7.68 4.01 0.00 1.71 1.81 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 2.16 2.10 0.00 50 I 7.73 4.00 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.03 0.00 0.00 51 W 8.25 4.61 0.00 3.34 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 52 D 7.94 4.38 0.00 2.79 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 53 N 7.65 4.60 0.00 3.02 2.85 0.00 0.00 7.09 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.45 4.24 0.00 1.56 1.46 0.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.95 4.50 0.00 1.80 1.40 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.36 4.91 0.00 2.75 2.59 0.00 0.00 6.11 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.96 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 58 K 7.70 4.41 0.00 1.69 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.38 7.81 59 I 9.14 3.99 1.88 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 1.10 1.34 0.92 0.00 0.00 60 S 7.95 4.97 0.00 4.17 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 61 V 7.61 3.63 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 0.89 0.00 0.00 0.96 0.00 0.00 62 D 7.86 4.53 0.00 2.85 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 63 E 7.69 4.48 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 64 A 9.09 4.09 1.31 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 0.00 0.00 0.00 65 K 7.70 4.11 0.00 2.08 1.96 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 66 R 7.90 3.94 0.00 2.00 2.11 0.00 3.21 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 67 L 8.64 4.23 0.00 2.06 1.81 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.27 4.33 0.00 3.21 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 69 E 8.45 3.55 0.00 2.25 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 2.36 2.31 0.00 70 D 7.95 4.49 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.74 4.54 0.00 2.95 2.88 0.00 0.00 6.20 7.36 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 72 Y 7.41 3.98 0.00 2.71 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.50 0.00 1.80 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.63 7.81 74 D 7.95 4.61 0.00 2.80 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 75 Y 8.34 4.00 0.00 2.87 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 76 E 7.53 4.59 0.00 2.03 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 2.23 2.39 0.00 *77 K 8.09 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.