NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3280 8.0327 110.9399 60.9889 70.3791 174.3498 4 K 3.7488 8.4549 122.1506 58.6238 32.0267 177.0190 5 K 3.9375 8.8101 120.8248 59.5297 32.5809 178.0796 6 E 3.9775 8.1938 118.9231 59.3764 29.4061 179.2849 7 R 3.9246 8.0122 118.8068 59.4955 30.0428 178.7026 8 I 3.9309 8.2182 119.8696 64.1829 37.0296 178.2081 9 A 4.0124 8.1876 121.7458 55.1799 17.9725 179.6834 10 I 3.6675 7.5658 117.2890 64.7594 37.2828 178.3507 11 Q 4.1906 8.0065 117.5392 59.0356 28.9136 178.8091 12 R 4.4231 8.4734 119.6819 59.1131 29.9109 179.4604 13 S 4.1811 8.1698 110.3537 59.6737 62.7340 175.7716 *15 A 4.3010 7.9495 127.1423 52.8530 20.4429 179.6128 16 E 4.1989 8.3743 115.0204 59.7829 29.4627 179.4568 17 E 4.0009 8.1468 118.4246 59.1928 29.4813 179.2850 18 A 4.0318 7.9850 120.5056 55.1004 18.4827 179.4990 19 L 4.0958 8.4125 118.0181 57.8235 41.6298 179.7949 20 G 3.7212 8.4623 106.0693 47.8264 0.0000 175.5837 21 K 3.9182 8.1151 122.0599 59.2078 32.3757 178.9133 22 L 3.9142 7.9688 119.2850 57.7683 41.5088 179.7180 23 K 3.9918 8.5284 118.6389 59.1448 31.6945 179.2379 24 A 3.9329 7.8570 120.6856 55.0794 18.5869 179.3501 25 I 3.4920 7.3971 118.2005 64.4767 37.1028 178.4259 26 R 3.4113 7.2519 118.9037 59.5905 29.5911 178.4562 27 Q 4.0727 7.5840 115.8300 58.2002 28.9678 177.8218 28 L 4.2300 7.6847 119.0330 54.6587 41.9541 176.5495 29 C 4.2472 7.4199 117.9660 61.1202 28.7696 173.8671 30 G 3.9172 9.0544 110.5744 46.1974 0.0000 175.2288 31 A 4.0826 7.9032 124.0938 54.3638 18.4543 179.5409 32 E 4.3004 8.0386 112.7555 58.5524 31.9256 177.7344 33 D 4.5024 7.8814 120.2191 55.0003 39.4905 177.2124 *41 Q 4.3437 9.2508 131.5545 56.7985 31.2363 175.5932 42 E 3.9894 8.1660 117.8157 59.2442 29.6118 178.8414 43 V 3.7965 7.8059 117.8736 66.1145 31.6627 177.7553 44 E 4.0301 8.1082 117.9357 59.1959 29.3374 179.1324 45 I 3.6121 7.8499 119.9919 64.1308 37.1120 178.4520 46 W 4.0588 7.8643 119.5448 60.0802 28.9453 178.4529 47 T 3.9849 8.2375 115.7477 67.0728 67.9580 176.3190 48 N 4.3713 8.3674 118.1162 56.3760 38.5652 177.5874 49 R 3.9098 8.0908 120.1464 59.2648 30.1387 178.6487 50 I 3.8196 8.3212 120.3316 64.1550 37.0883 178.2888 51 K 4.0399 8.2997 120.6083 59.3633 32.0478 178.3808 52 E 3.9513 8.3496 119.6909 59.2952 29.4643 178.6717 53 L 3.9852 7.9752 120.2979 58.0768 42.1737 178.4791 54 E 3.7389 8.7318 119.6928 59.3815 29.6244 178.4795 55 D 4.4580 8.6299 119.3789 57.0310 40.7895 178.5655 56 W 4.3077 8.1885 130.0963 59.9034 30.5325 177.8565 57 L 3.2535 7.8685 117.6234 57.3053 41.1023 179.0917 58 W 5.0011 7.5388 115.6354 57.4726 29.4562 177.8453 59 G 3.9805 7.8837 104.7778 45.5736 0.0000 174.2746 60 E 4.4196 8.0531 119.1683 56.2972 32.3396 176.4940 61 S 3.5695 6.6068 112.5267 56.7169 63.4284 173.1942 62 P 4.2347 0.0000 0.0000 64.7159 31.0131 177.4468 63 I 4.1998 7.1082 109.5015 60.2555 37.9962 175.6013 64 A 4.2197 7.7736 129.7896 52.8048 18.0931 177.5906 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 4.33 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 1.21 0.00 0.00 4 K 8.45 3.75 0.00 1.93 1.85 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 K 8.81 3.94 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 1.51 1.53 7.81 6 E 8.19 3.98 0.00 2.25 1.99 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 2.33 2.32 0.00 7 R 8.01 3.92 0.00 1.96 2.09 0.00 3.27 0.00 0.00 3.18 7.56 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 3.93 2.05 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 1.46 0.64 0.94 0.00 0.00 9 A 8.19 4.01 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 10 I 7.57 3.67 2.03 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 1.76 0.86 0.93 0.00 0.00 11 Q 8.01 4.19 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 12 R 8.47 4.42 0.00 2.10 2.21 0.00 3.40 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 13 S 8.17 4.18 0.00 4.08 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 0.00 *15 A 7.95 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.20 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 8.15 4.00 0.00 2.02 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 2.52 0.00 18 A 7.98 4.03 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 19 L 8.41 4.10 0.00 1.97 1.82 1.15 1.14 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 20 G 8.46 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 21 K 8.12 3.92 0.00 1.89 1.97 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 22 L 7.97 3.91 0.00 1.92 1.78 0.99 0.79 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 23 K 8.53 3.99 0.00 1.91 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.63 7.81 24 A 7.86 3.93 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 I 7.40 3.49 1.35 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 -0.23 0.00 0.00 26 R 7.25 3.41 0.00 1.75 2.01 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 27 Q 7.58 4.07 0.00 2.15 2.11 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 2.54 2.51 0.00 28 L 7.68 4.23 0.00 1.73 1.64 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.42 4.25 0.00 3.06 2.93 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 30 G 9.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.08 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 32 E 8.04 4.30 0.00 2.09 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 0.00 2.28 2.28 0.00 33 D 7.88 4.50 0.00 3.02 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 0.00 0.00 0.00 *41 Q 9.25 4.34 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 42 E 8.17 3.99 0.00 2.13 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 2.63 2.48 0.00 43 V 7.81 3.80 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 1.15 0.00 0.00 0.99 0.00 0.00 44 E 8.11 4.03 0.00 2.18 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 2.43 2.36 0.00 45 I 7.85 3.61 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.58 0.00 0.00 46 W 7.86 4.06 0.00 3.54 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 8.24 3.98 4.46 0.00 0.00 0.00 0.00 0.00 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 8.37 4.37 0.00 2.89 2.86 0.00 0.00 6.74 7.19 0.00 0.00 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 8.09 3.91 0.00 1.92 1.85 0.00 3.19 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 50 I 8.32 3.82 2.04 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 0.70 1.00 0.00 0.00 51 K 8.30 4.04 0.00 1.97 2.01 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.50 7.81 52 E 8.35 3.95 0.00 2.09 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 2.29 2.33 0.00 53 L 7.98 3.99 0.00 1.80 1.83 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.73 3.74 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 55 D 8.63 4.46 0.00 2.90 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 56 W 8.19 4.31 0.00 3.39 3.35 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 57 L 7.87 3.25 0.00 0.74 0.24 0.55 1.03 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 58 W 7.54 5.00 0.00 3.26 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 7.88 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 8.05 4.42 0.00 1.61 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 0.00 2.21 2.17 0.00 61 S 6.61 3.57 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 4.23 0.00 2.03 2.14 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 63 I 7.11 4.20 1.92 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 1.06 0.50 0.93 0.00 0.00 64 A 7.77 4.22 1.28 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.