NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3415 8.1633 120.3511 50.8188 34.3076 177.7885 2 E 3.8431 8.2097 120.0453 57.7315 29.7506 175.7531 3 K 4.1733 10.0947 118.6171 59.0460 33.0190 179.3673 4 V 3.5678 7.6772 118.0712 66.1394 31.6712 177.6496 5 Q 4.2685 8.1761 120.0252 58.5496 28.7625 177.8077 6 Y 4.2086 7.7947 119.7237 60.2482 38.9851 177.4584 7 L 3.3646 7.5687 119.8404 57.7445 41.3436 179.4576 8 T 3.8198 8.2105 110.1769 64.8775 68.4805 176.4765 9 R 3.9076 7.7773 121.2691 58.9389 30.1336 178.4121 10 S 4.0097 7.6821 112.5728 60.9839 62.2541 175.7512 11 A 3.9480 7.7735 123.3868 54.9305 18.1441 179.4266 12 I 3.8537 7.4909 117.3567 64.4218 37.2657 178.2401 13 R 4.0945 7.5565 118.8457 58.6751 30.1478 177.6695 14 R 4.3808 7.5786 113.9687 56.3062 30.6651 177.1394 15 A 4.6642 8.1479 120.8510 51.7863 19.3307 177.8425 16 S 4.4342 7.9132 113.0313 60.2173 62.9193 174.6175 17 T 4.6234 7.4038 111.0062 61.1292 68.9058 174.0957 18 I 4.7684 7.4249 120.4067 61.2533 41.3689 175.8407 19 E 4.7277 8.2226 120.5641 55.2085 31.0358 174.2872 20 M 4.8813 7.7229 120.7391 52.9588 36.4383 174.3395 21 P 4.5751 0.0000 0.0000 62.9882 30.7075 176.4698 22 Q 3.4991 7.8325 119.9331 57.4739 30.0677 175.2127 23 Q 3.8857 7.8565 114.5059 59.2896 29.2191 179.8476 24 A 4.0117 7.9564 121.2132 54.8008 18.5722 179.2616 25 R 3.7623 8.4757 117.6935 59.7389 30.0621 178.4714 26 Q 3.9038 7.9375 118.3870 59.3161 29.2077 177.9558 27 K 3.9303 8.1108 119.4089 59.5523 32.0349 179.4083 28 L 3.9814 8.3822 119.4711 57.7664 41.7573 179.0528 29 Q 4.0001 7.9084 119.2646 59.3675 29.0855 178.0429 30 N 4.3322 8.0098 117.4821 56.8365 39.0893 176.6907 31 L 4.0657 8.2305 120.5600 58.0632 41.7170 179.1893 32 F 4.1811 8.9519 120.7868 61.1701 39.3842 176.7731 33 I 3.5513 7.9991 119.0268 64.7602 37.1556 177.8849 34 N 4.2848 8.0646 116.8548 56.2110 36.8821 176.8462 35 F 3.9027 8.3528 122.9172 60.8879 39.3955 176.9829 36 C 3.8559 8.1533 116.7387 62.6126 27.9276 175.6788 37 L 3.8614 7.6515 120.4725 58.2393 41.2880 179.9404 38 I 3.5980 7.3449 118.8104 63.9069 36.9157 178.3463 39 L 3.6668 7.7050 121.5815 58.2768 42.0030 179.1134 40 I 3.6983 8.1519 119.9684 64.9504 36.9227 177.6382 41 C 4.1228 8.0696 117.8339 62.3374 27.7010 175.6952 42 L 3.9589 7.8962 122.2494 58.4592 41.6451 179.5002 43 L 4.0688 7.8330 119.1167 57.2673 41.6043 178.9270 44 L 3.9402 8.2242 118.5727 58.3817 41.6583 180.0402 45 I 3.7034 7.7519 119.3005 64.5347 36.8035 177.9375 46 C 4.0351 7.8293 116.2903 63.0024 28.3037 175.6656 47 I 3.8444 7.8067 120.4758 64.7443 36.7514 178.0755 48 I 3.6208 7.7383 120.0386 64.6774 36.8175 178.5294 49 V 3.6139 7.7933 117.5633 66.4363 31.1876 177.5486 50 M 4.2387 7.7275 117.5828 57.9911 31.9909 178.2912 51 L 4.0655 7.8673 120.9587 57.8670 41.8504 177.7521 *52 L 4.1390 7.7582 122.3451 54.3899 41.6402 179.5249 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 8.16 4.34 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 2 E 8.21 3.84 0.00 2.32 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 2.31 2.40 0.00 3 K 10.09 4.17 0.00 1.85 1.92 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.45 7.81 4 V 7.68 3.57 2.10 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 0.98 0.00 0.00 0.95 0.00 0.00 5 Q 8.18 4.27 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 6 Y 7.79 4.21 0.00 3.14 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 7 L 7.57 3.36 0.00 1.74 1.57 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.21 3.82 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 9 R 7.78 3.91 0.00 2.11 1.90 0.00 3.24 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 10 S 7.68 4.01 0.00 3.64 3.66 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 11 A 7.77 3.95 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 12 I 7.49 3.85 1.84 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 1.39 0.54 0.89 0.00 0.00 13 R 7.56 4.09 0.00 1.89 2.06 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 14 R 7.58 4.38 0.00 1.81 1.93 0.00 3.33 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 15 A 8.15 4.66 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 16 S 7.91 4.43 0.00 3.86 3.91 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 17 T 7.40 4.62 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 1.20 0.00 0.00 18 I 7.42 4.77 2.01 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 1.39 0.63 0.89 0.00 0.00 19 E 8.22 4.73 0.00 1.88 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 2.20 2.31 0.00 20 M 7.72 4.88 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 21 P 0.00 4.58 0.00 2.16 2.13 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 22 Q 7.83 3.50 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 23 Q 7.86 3.89 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 24 A 7.96 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 3.76 0.00 1.82 2.07 0.00 3.08 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 26 Q 7.94 3.90 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 27 K 8.11 3.93 0.00 2.10 1.87 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.55 7.81 28 L 8.38 3.98 0.00 1.87 1.68 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.91 4.00 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 30 N 8.01 4.33 0.00 2.88 2.82 0.00 0.00 7.32 8.04 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 31 L 8.23 4.07 0.00 2.04 1.77 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.95 4.18 0.00 3.16 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 3.55 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.96 0.92 0.00 0.00 34 N 8.06 4.28 0.00 3.02 3.11 0.00 0.00 6.84 7.68 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 35 F 8.35 3.90 0.00 3.29 3.02 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 36 C 8.15 3.86 0.00 2.85 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 37 L 7.65 3.86 0.00 1.72 1.67 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.34 3.60 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.67 0.00 0.00 39 L 7.70 3.67 0.00 1.51 1.65 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.15 3.70 1.81 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 1.49 0.61 0.88 0.00 0.00 41 C 8.07 4.12 0.00 3.04 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 42 L 7.90 3.96 0.00 1.66 1.71 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.83 4.07 0.00 1.86 1.64 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.22 3.94 0.00 1.79 1.73 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.75 3.70 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 0.89 0.00 0.00 46 C 7.83 4.04 0.00 3.15 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 47 I 7.81 3.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.91 0.00 0.00 48 I 7.74 3.62 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.90 0.00 0.00 49 V 7.79 3.61 2.22 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 0.78 0.00 0.00 0.95 0.00 0.00 50 M 7.73 4.24 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 51 L 7.87 4.07 0.00 1.72 1.72 0.92 0.72 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 *52 L 7.76 4.14 0.00 1.41 1.48 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.