NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2906 8.0327 115.2439 61.3794 68.7456 174.3124 4 K 3.7330 8.4907 125.7370 58.5493 32.0423 177.3188 5 K 3.9219 8.8102 120.8791 59.5352 32.6027 178.0909 6 E 3.9662 7.9896 118.3688 59.4294 29.5392 179.1221 7 R 3.9347 8.3012 119.0477 59.4336 30.0461 178.6839 8 I 3.7523 8.2213 119.8939 64.1408 37.0080 178.1143 9 A 4.0048 8.1464 121.6847 55.3185 17.9822 179.7741 10 I 3.6686 7.6543 116.9682 64.7136 37.2759 178.3618 11 Q 4.1921 7.9873 117.6312 59.0594 28.8251 178.9182 12 R 4.4212 8.3882 119.3088 59.1675 29.9649 179.4808 13 S 3.9732 8.2395 109.3759 59.2325 62.1820 175.4242 *15 A 4.3214 7.9441 124.8603 51.8370 20.3908 179.6483 16 E 4.2614 8.4182 115.3094 59.7017 29.4266 179.5368 17 E 3.9758 8.1347 118.5345 59.1771 29.5553 179.0629 18 A 4.0055 8.0454 120.3423 55.3275 18.4073 179.4762 19 L 4.0981 8.5197 117.9450 57.8879 41.6788 179.8774 20 G 3.7014 8.4298 105.9438 47.8254 0.0000 175.6352 21 K 3.9539 8.1126 122.0388 59.1343 32.1048 178.9313 22 L 3.9713 7.9938 119.2989 57.8696 41.4409 179.7571 23 K 3.9885 8.4857 118.4372 59.0396 31.6761 179.3159 24 A 3.9287 7.7590 120.6803 55.0841 18.6044 179.2092 25 I 3.4916 7.2802 117.8288 64.5801 37.0235 178.4052 26 R 3.3210 7.0925 119.1311 59.5181 29.5662 178.4036 27 Q 4.0546 7.4921 116.4427 58.1065 28.7328 177.7697 28 L 4.2704 7.4912 118.1822 54.4400 41.3086 176.8714 29 C 4.1551 7.4575 118.4133 60.9021 28.5316 174.0205 30 G 3.8769 8.8018 110.9789 46.6042 0.0000 174.8308 31 A 4.1186 7.4265 122.4693 53.9807 18.8018 179.3356 32 E 4.2016 7.9161 114.0588 56.2997 30.3167 177.5141 33 D 4.5439 8.5780 120.1554 56.1296 41.1991 176.8012 34 S 4.6752 7.8546 113.7334 58.1035 63.3560 174.3791 35 S 4.6935 7.5109 115.7758 59.0108 64.1637 173.6966 36 D 4.5278 9.1655 121.4667 52.6934 41.0933 175.9208 37 S 4.2146 8.8490 111.8867 61.7183 63.5076 175.7460 38 S 4.2850 8.9487 116.7180 61.4055 63.0388 176.3126 39 D 4.4284 8.0632 119.6612 54.4462 40.1535 178.0784 *41 Q 4.5025 8.1460 121.5017 56.3890 31.0008 176.7576 42 E 4.0029 8.2417 117.2555 59.5129 29.4211 179.3007 43 V 3.7508 7.8602 118.0773 66.4289 31.6759 177.9275 44 E 4.0394 8.2269 117.5057 59.3979 29.3405 179.1821 45 I 3.7719 8.0468 120.0124 64.1776 37.1032 178.4777 46 W 4.1370 8.4335 119.7949 60.1184 28.8884 178.5759 47 T 3.9802 8.4631 116.0112 66.8836 67.9056 176.4240 48 N 4.3580 8.4971 118.4727 56.2906 38.5831 177.5491 49 R 3.8563 7.9620 120.1030 59.5007 30.1913 178.6321 50 I 3.7860 8.2639 120.0820 64.2358 37.0637 178.2758 51 K 4.0094 8.5237 120.9589 59.4166 31.9825 178.3503 52 E 3.9460 8.3733 119.6338 59.2140 29.4799 178.6435 53 L 3.9846 7.9153 120.2805 58.2255 42.2238 178.5367 54 E 3.6821 8.6720 119.6982 59.2686 29.5289 178.5322 55 D 4.4223 8.6210 119.4711 56.9264 40.8116 178.3550 56 W 4.1186 8.3381 128.9015 60.4912 30.4912 177.7615 57 L 3.1313 7.7858 117.5416 57.3519 41.1045 179.1681 58 W 4.9958 7.5153 115.6270 57.6058 29.4465 177.9349 59 G 3.9828 8.0387 104.8199 45.4858 0.0000 174.1993 60 E 4.5111 8.0281 117.2432 55.3264 31.8850 176.1842 61 S 3.7104 6.7516 113.5606 56.3435 63.7589 173.1703 62 P 4.2928 0.0000 0.0000 64.6119 30.9919 177.4285 63 I 4.2581 7.1776 109.8967 60.2097 37.9501 175.5597 64 A 4.2259 7.6798 129.7777 52.8258 18.1064 177.6845 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 3 T 8.03 4.29 4.24 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 0.00 0.00 0.00 1.28 0.00 0.00 4 K 8.49 3.73 0.00 1.95 1.79 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 K 8.81 3.92 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 6 E 7.99 3.97 0.00 2.24 1.98 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 2.40 2.36 0.00 7 R 8.30 3.93 0.00 1.84 2.06 0.00 3.32 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 8 I 8.22 3.75 1.93 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 1.47 0.57 0.93 0.00 0.00 9 A 8.15 4.00 1.38 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 0.00 0.00 10 I 7.65 3.67 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 0.93 0.00 0.00 11 Q 7.99 4.19 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 12 R 8.39 4.42 0.00 2.09 2.16 0.00 3.39 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 13 S 8.24 3.97 0.00 4.00 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 *15 A 7.94 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.26 0.00 2.31 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 2.78 2.56 0.00 17 E 8.13 3.98 0.00 2.01 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 0.00 2.36 2.56 0.00 18 A 8.05 4.01 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 19 L 8.52 4.10 0.00 1.93 1.82 1.15 0.85 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 20 G 8.43 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 0.00 0.00 0.00 21 K 8.11 3.95 0.00 1.90 1.99 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 22 L 7.99 3.97 0.00 1.96 1.81 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.49 3.99 0.00 1.96 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.65 7.81 24 A 7.76 3.93 1.32 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 0.00 0.00 25 I 7.28 3.49 1.27 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 -0.07 0.00 0.00 26 R 7.09 3.32 0.00 1.55 2.03 0.00 3.17 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 27 Q 7.49 4.05 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 28 L 7.49 4.27 0.00 1.53 1.65 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.46 4.16 0.00 2.97 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 30 G 8.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.43 4.12 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 32 E 7.92 4.20 0.00 2.13 2.09 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 2.37 2.28 0.00 33 D 8.58 4.54 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.85 4.68 0.00 3.98 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 35 S 7.51 4.69 0.00 3.97 4.17 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 36 D 9.17 4.53 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.21 0.00 4.01 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 38 S 8.95 4.28 0.00 4.00 4.17 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 39 D 8.06 4.43 0.00 2.91 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 *41 Q 8.15 4.50 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 42 E 8.24 4.00 0.00 2.43 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 2.40 2.57 0.00 43 V 7.86 3.75 2.14 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 1.16 0.00 0.00 0.99 0.00 0.00 44 E 8.23 4.04 0.00 2.23 2.01 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 2.43 2.44 0.00 45 I 8.05 3.77 1.95 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 1.46 0.74 0.65 0.00 0.00 46 W 8.43 4.14 0.00 3.60 3.24 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 0.00 0.00 0.00 0.00 47 T 8.46 3.98 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 1.26 0.00 0.00 48 N 8.50 4.36 0.00 2.72 2.86 0.00 0.00 6.71 8.43 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 49 R 7.96 3.86 0.00 1.90 1.87 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 50 I 8.26 3.79 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.99 0.00 0.00 51 K 8.52 4.01 0.00 1.91 1.97 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.51 7.81 52 E 8.37 3.95 0.00 2.16 2.14 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 2.29 2.33 0.00 53 L 7.92 3.98 0.00 1.81 1.83 0.92 0.95 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 54 E 8.67 3.68 0.00 2.16 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 2.56 2.41 0.00 55 D 8.62 4.42 0.00 2.81 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 56 W 8.34 4.12 0.00 3.38 3.37 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 57 L 7.79 3.13 0.00 0.71 0.24 0.47 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.52 5.00 0.00 3.25 3.07 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 0.00 0.00 0.00 59 G 8.04 3.98 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 0.00 60 E 8.03 4.51 0.00 1.70 1.93 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 2.24 2.22 0.00 61 S 6.75 3.71 0.00 2.72 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 62 P 0.00 4.29 0.00 2.06 2.16 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 63 I 7.18 4.26 1.93 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 1.05 0.57 0.92 0.00 0.00 64 A 7.68 4.23 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 * Residues marked with a * may have inaccurate shift predictions.