NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *21 N 4.6834 8.4201 117.7897 51.8041 39.7094 174.8547 22 A 4.2676 8.1916 123.3174 52.0104 19.1557 176.4164 23 T 3.8271 9.9653 121.5475 65.7349 69.5681 173.3145 24 F 5.2110 7.7528 117.4470 55.4360 42.3753 174.2811 25 G 4.3361 9.1129 110.9305 43.2771 0.0000 172.5504 26 M 4.3993 8.5582 118.9272 57.2098 32.1832 177.5267 27 G 4.0229 9.0675 112.2454 45.1747 0.0000 173.5808 28 D 4.4630 7.8968 120.4364 54.4975 42.1796 175.5181 29 R 4.6762 8.4654 123.1069 55.8703 31.5559 175.4747 30 V 4.9997 8.8660 119.1430 59.6607 36.5530 174.4524 31 R 5.1670 8.7753 117.6074 54.2269 33.2956 174.5677 32 K 4.3561 8.6826 120.6021 56.5738 31.9488 177.8254 33 K 4.4528 9.0108 125.2738 59.3560 32.6221 177.0508 34 S 4.5085 8.0025 111.7167 57.8892 66.4565 175.7337 35 G 3.6832 8.5481 107.8773 45.7989 0.0000 173.9009 36 A 4.0336 8.6669 126.3324 52.4234 18.9529 177.0399 37 A 4.5104 8.4219 123.8909 51.7400 19.9748 176.6136 38 W 4.8901 8.4092 127.2632 56.7226 34.5018 173.0129 39 Q 4.7929 7.2482 126.2335 54.0732 32.1978 174.4298 40 G 4.4707 7.5450 111.3362 45.7882 0.0000 170.2484 41 Q 5.0597 7.7549 118.1899 54.0855 31.3745 175.4994 42 I 4.3137 8.6883 124.9802 61.9388 37.8808 176.7339 43 V 4.5045 9.1128 118.9721 60.3201 33.6914 175.5183 44 G 4.1968 7.7105 106.5622 46.6773 0.0000 171.6640 45 W 5.8644 8.9087 128.1770 56.6025 33.9538 173.7740 46 Y 4.0869 7.3822 120.8829 55.9505 41.3265 173.3468 47 C 4.5299 7.6704 120.6602 58.4259 34.3878 172.7794 48 T 4.6753 8.7141 115.9995 59.7370 72.1161 174.8050 49 N 4.2894 8.8676 118.6243 56.3624 38.7386 176.7741 50 L 4.1303 7.9136 118.6808 57.6301 42.6668 176.8487 51 T 4.5164 7.9455 115.7087 60.8949 68.5318 172.4020 52 P 4.4038 0.0000 0.0000 63.3534 32.3768 176.9273 53 E 4.2442 7.7950 119.8611 54.5406 32.1833 173.9603 54 G 3.6900 7.8552 113.7108 44.1236 0.0000 169.6667 55 Y 5.5049 9.1091 117.0619 56.0001 42.5979 174.3508 56 A 5.0679 9.0230 124.4937 50.7494 21.3777 176.2696 57 V 4.9638 8.9553 122.3478 61.0852 34.8872 173.8852 58 E 5.0648 9.2487 129.9098 55.1518 30.8318 175.4444 59 S 4.2114 8.8877 123.0075 58.5097 62.7324 174.1981 60 E 4.0420 8.9526 124.0044 57.8271 30.0547 178.3127 61 A 4.2179 7.5440 121.4893 53.4674 19.8863 176.7033 62 H 4.8523 7.8922 113.3874 52.3262 29.0790 170.1432 63 P 4.4358 0.0000 0.0000 64.2107 31.8726 176.5290 64 G 4.0821 9.7506 111.5532 45.1323 0.0000 173.6181 65 S 4.7751 8.0220 116.4217 57.5515 64.4855 173.6336 66 V 5.2035 8.5268 123.5662 61.3564 34.1728 174.4790 67 Q 4.4075 9.0812 125.4535 53.7662 32.9042 173.9674 68 I 4.8662 7.4629 114.7978 59.5226 39.7559 174.3547 69 Y 5.0398 9.0857 121.6945 55.8300 42.9422 173.1437 70 P 4.7460 0.0000 0.0000 62.2633 32.5371 177.8809 71 V 3.9658 8.7920 121.1511 65.1365 31.2013 178.5726 72 A 4.0762 8.0716 121.3472 54.2631 18.4699 177.8343 73 A 4.2962 8.3627 118.0977 53.2442 19.0441 176.7192 74 L 5.4882 7.8897 115.3641 52.7365 44.9759 175.9776 75 E 4.9315 8.9445 118.6357 54.6047 33.2316 174.6685 76 R 4.5377 8.8597 122.9313 56.3019 30.9924 175.1510 77 I 4.7358 8.3693 118.3639 58.8479 41.3019 175.1758 78 N 4.5037 8.5929 118.6103 53.6720 38.5404 175.4077 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 *21 N 8.42 4.68 0.00 2.48 2.66 0.00 0.00 6.67 6.57 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 22 A 8.19 4.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.97 3.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 24 F 7.75 5.21 0.00 2.31 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 4.34 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 0.00 26 M 8.56 4.40 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 27 G 9.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.90 4.46 0.00 2.62 2.49 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 0.00 0.00 0.00 0.00 29 R 8.47 4.68 0.00 1.85 1.92 0.00 3.08 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 30 V 8.87 5.00 1.75 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 -0.14 0.00 0.00 0.83 0.00 0.00 31 R 8.78 5.17 0.00 1.85 2.01 0.00 2.75 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 32 K 8.68 4.36 0.00 1.60 1.67 0.00 1.49 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.03 1.29 7.81 33 K 9.01 4.45 0.00 1.62 1.87 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.52 7.81 34 S 8.00 4.51 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.55 3.68 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 0.00 0.00 0.00 36 A 8.67 4.03 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 37 A 8.42 4.51 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 38 W 8.41 4.89 0.00 3.39 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 39 Q 7.25 4.79 0.00 2.03 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 40 G 7.54 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.75 5.06 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 42 I 8.69 4.31 2.08 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 1.14 0.00 0.00 43 V 9.11 4.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.07 0.00 0.00 44 G 7.71 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 0.00 0.00 0.00 0.00 45 W 8.91 5.86 0.00 3.21 3.01 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 0.00 0.00 0.00 46 Y 7.38 4.09 0.00 2.70 2.69 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 47 C 7.67 4.53 0.00 2.10 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 0.00 0.00 0.00 0.00 48 T 8.71 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 49 N 8.87 4.29 0.00 2.70 2.91 0.00 0.00 6.82 7.85 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 50 L 7.91 4.13 0.00 1.57 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.95 4.52 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 52 P 0.00 4.40 0.00 2.15 2.13 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 53 E 7.79 4.24 0.00 2.01 1.79 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 0.00 2.24 2.36 0.00 54 G 7.86 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 55 Y 9.11 5.50 0.00 3.11 3.03 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 0.00 0.00 0.00 56 A 9.02 5.07 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 57 V 8.96 4.96 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 1.14 0.00 0.00 1.20 0.00 0.00 58 E 9.25 5.06 0.00 2.19 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 59 S 8.89 4.21 0.00 2.72 3.70 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 0.00 0.00 0.00 0.00 60 E 8.95 4.04 0.00 2.11 2.08 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 2.28 2.12 0.00 61 A 7.54 4.22 0.98 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 0.00 0.00 62 H 7.89 4.85 0.00 3.08 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.44 0.00 2.04 2.01 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 G 9.75 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 0.00 0.00 0.00 65 S 8.02 4.78 0.00 4.14 4.09 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 0.00 0.00 0.00 0.00 66 V 8.53 5.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.03 0.00 0.00 67 Q 9.08 4.41 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.35 0.00 0.00 0.00 0.00 0.00 1.67 1.29 0.00 68 I 7.46 4.87 1.35 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.18 0.63 0.00 0.00 69 Y 9.09 5.04 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.75 0.00 2.25 1.99 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 71 V 8.79 3.97 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 72 A 8.07 4.08 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 73 A 8.36 4.30 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 5.49 0.00 1.80 1.48 1.17 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.94 4.93 0.00 2.02 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 2.33 2.23 0.00 76 R 8.86 4.54 0.00 2.01 1.97 0.00 3.21 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 77 I 8.37 4.74 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.88 0.00 0.00 78 N 8.59 4.50 0.00 2.71 2.75 0.00 0.00 6.77 7.56 0.00 0.00 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.