NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3403 8.3044 120.3637 55.3200 33.4007 174.1599 2 Q 4.2766 8.2837 124.6370 54.5602 30.1110 173.2031 3 Y 4.6169 8.8792 122.6065 55.9314 41.4770 174.3606 4 K 4.7424 8.6896 125.1463 54.3982 34.9021 175.1187 5 V 4.3736 8.2448 123.5316 60.9841 34.2000 174.4505 6 I 4.3293 8.2468 127.2781 59.5851 38.4179 173.5636 7 L 4.5276 7.5949 123.3308 56.2491 46.2726 178.9827 8 N 4.4104 8.0620 119.0968 53.3011 36.7215 174.6943 9 G 3.6722 8.9941 116.1686 46.5557 0.0000 174.9045 *19 E 4.2545 7.8245 122.1645 54.7858 31.7047 176.7625 20 A 4.6012 7.7717 118.0599 51.2006 19.9236 175.7306 21 V 3.5158 7.7678 117.5369 63.4905 31.8812 175.6873 22 D 4.4633 8.7320 126.9466 53.7766 41.9195 176.2637 23 A 3.9743 8.6526 129.2789 55.2956 18.5473 178.9428 24 A 3.9329 7.9867 118.7697 55.6754 18.4909 179.8865 25 T 3.8772 8.4542 114.4159 66.4747 68.4966 176.7481 26 F 4.0721 8.1822 122.6525 61.3706 39.4324 176.8869 27 E 3.7606 8.3764 118.3489 59.2207 29.1554 179.2370 28 K 3.9548 8.1743 119.4503 59.6950 32.3006 178.8487 29 V 3.5822 8.2243 118.7421 66.0683 31.5169 178.1901 30 V 3.6102 7.7973 117.9438 65.7160 31.3997 177.8862 31 K 4.0150 8.4406 119.5277 59.5954 32.0048 178.2970 32 Q 3.9851 8.4233 120.1138 59.3508 28.7038 178.0748 33 F 4.0391 7.9985 120.1516 61.5179 39.5471 176.8782 34 F 3.8622 8.1349 116.6566 60.4845 38.6448 177.3938 35 N 4.5485 8.2529 117.4691 55.8624 38.1790 176.8112 36 D 4.4693 8.2252 118.3717 55.7817 40.8671 176.6642 37 N 4.5841 7.7474 116.2725 52.5031 39.0685 175.3474 38 G 3.8204 8.3046 106.0799 45.6666 0.0000 173.6026 39 V 4.2507 7.4784 119.5574 60.6549 33.1831 173.7339 40 D 4.8677 8.4038 126.5717 52.5438 42.7517 175.1429 41 G 3.9278 7.8643 113.2438 45.2313 0.0000 171.5183 42 E 4.5572 7.9442 117.0891 54.1294 33.3844 175.5826 43 W 4.4992 8.7170 121.6293 56.2199 29.4002 176.1731 44 T 4.8074 8.3133 113.4618 59.7083 70.7980 173.4313 45 Y 4.0807 8.6125 120.7304 57.7152 38.7366 175.4709 46 D 4.8194 8.4367 124.1047 53.0571 42.3494 176.1297 47 D 4.5125 8.4470 120.6131 54.1108 41.4625 176.6614 48 A 4.1958 8.4662 125.1779 52.5254 19.0228 177.0722 49 T 4.7979 8.2333 110.3715 59.6209 71.9606 173.3658 50 K 4.7441 8.3924 120.4204 54.9270 35.4657 176.0481 51 T 4.6237 8.1545 117.4337 61.5981 72.0115 173.6866 52 F 4.3116 8.8353 127.3471 57.6882 39.2318 174.9585 53 T 4.2490 7.6519 125.7646 61.6598 69.1665 175.0786 54 V 3.5454 8.0880 127.1493 62.6072 32.1485 175.5104 55 T 3.8858 8.4071 124.1294 63.9387 68.2828 174.3738 56 E 4.1111 8.8150 125.4007 56.8715 29.7519 174.8702 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 1 M 8.30 4.34 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 2 Q 8.28 4.28 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 3 Y 8.88 4.62 0.00 3.05 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 4 K 8.69 4.74 0.00 1.71 1.68 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 5 V 8.24 4.37 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 0.40 0.00 0.00 1.08 0.00 0.00 6 I 8.25 4.33 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.85 0.00 0.00 7 L 7.59 4.53 0.00 1.38 1.41 0.53 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.06 4.41 0.00 2.67 2.30 0.00 0.00 6.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.99 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 0.00 0.00 0.00 0.00 *19 E 7.82 4.25 0.00 1.98 2.05 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 2.20 2.25 0.00 20 A 7.77 4.60 1.22 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 0.00 0.00 0.00 21 V 7.77 3.52 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 0.77 0.00 0.00 0.91 0.00 0.00 22 D 8.73 4.46 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 23 A 8.65 3.97 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 24 A 7.99 3.93 1.41 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 25 T 8.45 3.88 4.44 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 1.25 0.00 0.00 26 F 8.18 4.07 0.00 3.14 3.21 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 0.00 27 E 8.38 3.76 0.00 2.16 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 1.47 2.33 0.00 28 K 8.17 3.95 0.00 1.99 2.05 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 29 V 8.22 3.58 2.13 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 0.92 0.00 0.00 1.01 0.00 0.00 30 V 7.80 3.61 2.24 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 1.31 0.00 0.00 0.41 0.00 0.00 31 K 8.44 4.01 0.00 2.06 2.04 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.41 7.81 32 Q 8.42 3.99 0.00 2.35 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 33 F 8.00 4.04 0.00 2.93 3.16 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 0.00 0.00 0.00 0.00 34 F 8.13 3.86 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.55 0.00 2.92 2.86 0.00 0.00 6.59 7.69 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 36 D 8.23 4.47 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.58 0.00 2.39 2.55 0.00 0.00 6.98 7.20 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 38 G 8.30 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 39 V 7.48 4.25 2.28 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 0.95 0.00 0.00 0.97 0.00 0.00 40 D 8.40 4.87 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.86 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 42 E 7.94 4.56 0.00 1.87 1.82 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 2.16 2.25 0.00 43 W 8.72 4.50 0.00 3.28 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 44 T 8.31 4.81 4.33 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 1.25 0.00 0.00 45 Y 8.61 4.08 0.00 3.04 3.04 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 0.00 0.00 0.00 46 D 8.44 4.82 0.00 2.71 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 47 D 8.45 4.51 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 48 A 8.47 4.20 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 49 T 8.23 4.80 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 1.28 0.00 0.00 50 K 8.39 4.74 0.00 1.75 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.15 4.62 4.25 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 1.24 0.00 0.00 52 F 8.84 4.31 0.00 2.99 3.04 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 0.00 0.00 0.00 53 T 7.65 4.25 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 1.12 0.00 0.00 54 V 8.09 3.55 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 0.81 0.00 0.00 1.03 0.00 0.00 55 T 8.41 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 1.18 0.00 0.00 56 E 8.81 4.11 0.00 2.05 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 2.21 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.