NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2972 8.4449 120.2224 56.0859 30.9382 174.7879 7 L 4.4514 8.0651 122.6232 51.6141 42.9228 176.2222 8 S 4.3617 9.1134 118.9223 57.9240 65.7924 174.8730 9 L 4.0315 8.5457 123.5798 58.6623 41.5948 178.9307 10 E 4.0679 8.2445 117.7218 59.6356 29.4846 179.2591 11 Q 3.9830 8.1761 117.9663 58.9260 28.7900 178.4481 12 Q 3.8396 8.3270 120.8527 59.3957 29.0176 178.4829 13 F 4.2050 8.5750 118.2981 59.7703 38.9080 178.1892 14 S 4.2183 8.4997 115.8145 61.6089 62.6557 176.5167 15 I 3.7429 7.7974 122.4996 64.4064 36.7334 178.4777 16 R 3.8990 7.9221 119.4681 59.4350 29.9219 178.5137 17 S 4.1260 8.5946 113.3923 61.3577 62.3498 175.6780 18 F 4.1053 8.6664 123.4978 61.4726 39.0483 176.9594 19 A 3.9684 8.3055 120.4968 55.2532 17.9127 179.6450 20 T 3.7870 7.5209 107.4148 65.0745 68.8448 176.5382 21 Q 3.9599 7.6691 120.3938 58.5734 28.5214 178.6883 22 V 3.3328 7.3330 118.4058 65.9285 31.5679 177.3945 23 Q 4.0569 7.8950 118.3097 58.5261 30.1982 177.5061 24 N 4.5596 7.3496 119.0731 50.9534 35.7203 173.4237 *26 S 4.2552 7.2307 117.3592 57.8810 65.4400 175.2083 27 H 4.1789 8.7859 118.6435 59.8082 29.4147 176.6691 28 D 4.3124 8.0567 119.9755 57.4201 40.6987 178.6657 29 Q 4.0125 8.2088 118.4012 58.9092 28.7050 178.7067 30 A 4.1104 8.2131 121.8364 55.0281 17.8840 179.9289 31 K 3.9505 7.9983 116.6394 59.7239 32.0909 179.3420 32 D 4.4033 8.0742 119.1653 57.4516 40.7633 178.7307 33 F 4.2181 8.4817 121.1661 60.9944 39.3538 176.8535 34 L 3.9454 8.0899 120.2107 58.2020 41.8810 179.2301 35 V 3.6114 7.4900 117.2848 65.9549 31.4919 178.1549 36 K 3.9266 7.7830 118.0065 59.2138 31.5831 179.1443 37 L 3.6787 7.6052 120.2741 58.0617 42.0673 177.9759 38 Y 4.1034 7.8550 118.4725 60.6098 38.9788 177.2363 39 E 4.0115 8.2042 120.1724 59.2339 29.7767 180.1847 40 Q 4.2926 7.9670 119.0154 55.5406 28.6136 178.7632 *42 V 3.7906 7.7973 120.7807 62.9393 33.6781 177.1214 43 V 3.5244 7.8431 118.8731 66.3298 31.2358 178.3232 44 R 3.8023 8.2391 117.9521 58.9075 29.8587 178.6737 45 E 3.9789 8.1306 118.5467 59.3816 29.7988 178.6042 46 A 4.0346 8.1633 120.8401 55.3641 18.3573 179.7958 47 T 3.7059 7.9354 114.3958 67.0743 68.5308 176.6028 48 Y 4.2542 8.0100 118.6590 61.1180 37.6050 178.4580 49 Q 4.0817 8.0877 118.3722 58.7925 29.0584 178.1316 50 E 4.0869 8.1809 120.3528 59.3907 29.7426 178.9845 51 L 4.1727 7.9845 118.8625 57.6183 41.3917 179.4492 52 L 4.0589 7.8847 118.3543 57.4467 41.5696 179.2391 53 K 4.3857 7.9246 117.5181 58.5000 31.6941 177.3299 54 H 5.0658 7.7667 116.1760 55.7532 28.9198 176.4113 55 Q 3.6037 7.7930 118.9319 57.1147 28.6447 176.5843 56 W 4.7033 7.3867 118.3058 55.5335 29.2989 177.6840 57 G 3.7156 7.9811 107.2263 46.9816 0.0000 174.0937 58 L 4.0080 7.7861 124.7819 55.3233 41.3493 174.3764 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 6 E 8.44 4.30 0.00 1.96 1.94 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 2.20 2.28 0.00 7 L 8.07 4.45 0.00 1.60 1.57 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.11 4.36 0.00 4.06 4.01 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 9 L 8.55 4.03 0.00 1.85 1.82 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.24 4.07 0.00 2.09 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 2.44 2.45 0.00 11 Q 8.18 3.98 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 12 Q 8.33 3.84 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 1.39 1.83 0.00 13 F 8.58 4.21 0.00 3.24 3.12 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 0.00 0.00 0.00 0.00 14 S 8.50 4.22 0.00 4.01 3.95 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 0.00 0.00 0.00 15 I 7.80 3.74 1.99 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 1.38 0.82 0.92 0.00 0.00 16 R 7.92 3.90 0.00 1.76 1.99 0.00 3.16 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 17 S 8.59 4.13 0.00 4.08 3.94 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 18 F 8.67 4.11 0.00 3.25 3.26 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 19 A 8.31 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.52 3.79 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 1.30 0.00 0.00 21 Q 7.67 3.96 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 22 V 7.33 3.33 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.26 0.00 0.00 23 Q 7.90 4.06 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.22 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 24 N 7.35 4.56 0.00 2.75 2.72 0.00 0.00 7.02 7.44 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 *26 S 7.23 4.26 0.00 4.04 4.06 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 0.00 0.00 0.00 27 H 8.79 4.18 0.00 3.20 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.06 4.31 0.00 2.72 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 29 Q 8.21 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 30 A 8.21 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.95 0.00 1.81 1.85 0.00 1.63 0.00 0.00 1.33 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 32 D 8.07 4.40 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.22 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 34 L 8.09 3.95 0.00 2.06 1.84 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.49 3.61 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 1.00 0.00 0.00 0.97 0.00 0.00 36 K 7.78 3.93 0.00 1.66 1.74 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 37 L 7.61 3.68 0.00 1.07 1.70 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.86 4.10 0.00 2.96 3.12 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 0.00 0.00 0.00 0.00 39 E 8.20 4.01 0.00 2.09 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 2.27 2.33 0.00 40 Q 7.97 4.29 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.16 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 *42 V 7.80 3.79 2.02 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 0.95 0.00 0.00 0.50 0.00 0.00 43 V 7.84 3.52 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 0.99 0.00 0.00 0.94 0.00 0.00 44 R 8.24 3.80 0.00 1.89 2.03 0.00 3.18 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 45 E 8.13 3.98 0.00 2.06 2.07 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 2.37 2.45 0.00 46 A 8.16 4.03 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 47 T 7.94 3.71 4.14 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 0.85 0.00 0.00 48 Y 8.01 4.25 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.08 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 50 E 8.18 4.09 0.00 2.22 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 0.00 2.34 2.49 0.00 51 L 7.98 4.17 0.00 2.01 1.76 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.88 4.06 0.00 1.85 1.79 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.92 4.39 0.00 1.65 1.81 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.63 7.81 54 H 7.77 5.07 0.00 3.21 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.79 3.60 0.00 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 7.54 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 56 W 7.39 4.70 0.00 3.29 3.12 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 0.00 0.00 0.00 0.00 57 G 7.98 3.72 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 0.00 0.00 0.00 58 L 7.79 4.01 0.00 1.96 1.83 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.