NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2910 8.0327 115.2439 61.4401 68.8387 174.4000 4 K 3.7687 8.5157 127.1233 58.5668 32.1439 177.5481 5 K 3.9678 7.8936 119.9985 59.4529 32.6102 178.0070 6 E 4.0302 8.0045 117.4837 59.2706 29.7365 178.8331 7 R 3.9132 8.2023 119.7456 59.2851 30.0490 178.5908 8 I 3.7227 8.3742 119.8812 64.2330 36.9764 178.3014 9 A 4.0072 8.0553 121.7342 55.1730 17.9832 179.7619 10 I 3.6948 7.6399 117.4015 64.6622 37.2472 178.3672 11 Q 4.1971 8.1264 117.9828 59.0357 28.9415 178.7749 12 R 4.4809 8.4875 119.7172 59.0704 29.6747 179.7988 13 S 4.2755 8.3847 111.4511 59.1078 62.6827 175.8815 *15 A 4.3839 7.9892 127.3064 53.0413 20.4576 179.6387 16 E 4.1957 8.3603 115.0390 59.7868 29.4337 179.5214 17 E 4.0506 8.0736 117.2028 59.1560 29.5527 179.1897 18 A 4.0243 7.9757 120.4445 55.1294 18.4660 179.5059 19 L 4.0894 8.3726 117.9514 57.8573 41.6674 179.8082 20 G 3.7073 8.5389 106.1379 47.8409 0.0000 175.5843 21 K 3.9324 8.1372 121.9837 59.1114 32.2107 178.9014 22 L 3.9052 7.9964 119.2574 57.8649 41.4871 179.7244 23 K 3.9707 8.4204 118.4024 59.2160 31.6766 179.2573 24 A 3.9338 7.8975 120.5816 55.1051 18.5858 179.3990 25 I 3.4908 7.4354 118.2308 64.4358 37.0692 178.4734 26 R 3.4608 7.4045 119.3685 59.5232 29.5656 178.2660 27 Q 4.1203 7.5943 115.9080 57.6855 29.1710 177.3483 28 L 4.3565 7.5630 119.1802 53.8971 42.0014 176.1958 29 C 4.3366 7.2290 118.1361 61.0655 28.3964 174.0459 30 G 4.0675 9.2635 110.9190 45.6304 0.0000 174.1226 31 A 4.1257 7.8374 124.2032 54.8111 18.5694 179.7291 32 E 3.9438 8.0463 112.9287 59.1631 29.8581 177.7143 *37 S 4.4516 7.6213 112.5052 58.0440 64.5409 174.6595 38 S 4.2963 7.8090 113.9945 61.4008 63.6543 176.3777 39 D 4.4535 8.0864 116.7294 55.3318 40.5521 177.6177 *41 Q 4.3338 8.1987 121.9222 56.3189 30.9130 177.0105 42 E 4.0191 8.7741 117.6050 59.5361 29.3874 179.5490 43 V 3.7391 8.1080 118.3158 66.0815 31.6083 177.6129 44 E 3.9563 8.2120 118.5004 59.2750 29.4435 178.6600 45 I 3.6279 7.8379 119.7436 64.1948 37.1062 178.4270 46 W 4.1925 8.2295 119.6600 60.0520 28.8350 178.3898 47 T 3.9803 8.3288 115.9572 67.0408 67.8829 176.2575 48 N 4.3516 8.2967 117.8295 56.3863 38.5992 177.6486 49 R 4.0397 8.1448 119.5958 59.4083 30.0757 179.2018 50 I 3.7641 8.1250 119.6325 64.3613 37.0993 178.4492 51 K 4.1600 8.4677 120.8148 59.4489 32.0143 178.5632 52 E 3.9804 8.5175 119.2600 59.4361 29.4529 179.1380 53 L 3.9904 8.0610 120.1991 58.0988 42.1258 178.7890 54 E 3.6313 8.4518 118.7308 59.5791 29.5475 178.9999 55 D 4.4658 8.4988 119.2259 57.1033 40.8435 178.8620 56 W 4.0165 8.3379 128.6497 60.4125 30.5813 177.7889 57 L 3.3852 8.0465 117.7889 57.4327 41.1254 179.1430 58 W 5.0892 7.6710 115.2382 57.3996 29.4862 177.7540 59 G 4.0290 7.7963 104.1384 45.0945 0.0000 173.5735 60 E 4.3364 8.0162 119.6368 56.4769 32.0085 176.0830 61 S 3.4742 6.5708 112.3915 56.6063 63.4946 173.0315 62 P 4.2725 0.0000 0.0000 64.5386 31.0142 177.4205 63 I 4.2445 7.2651 110.2871 60.2124 37.9052 175.5953 64 A 4.2316 7.6807 129.7793 52.8647 18.0816 177.7402 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 1.31 0.00 0.00 4 K 8.52 3.77 0.00 1.94 1.79 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 K 7.89 3.97 0.00 1.86 1.79 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 E 8.00 4.03 0.00 2.24 2.19 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 0.00 2.51 2.36 0.00 7 R 8.20 3.91 0.00 1.91 2.21 0.00 3.11 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 1.68 0.00 8 I 8.37 3.72 2.04 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 0.76 0.94 0.00 0.00 9 A 8.06 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 7.64 3.69 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 0.66 0.93 0.00 0.00 11 Q 8.13 4.20 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 12 R 8.49 4.48 0.00 2.09 2.14 0.00 3.35 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 13 S 8.38 4.28 0.00 4.05 4.20 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 0.00 0.00 0.00 *15 A 7.99 4.38 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.36 4.20 0.00 2.32 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 2.77 2.57 0.00 17 E 8.07 4.05 0.00 2.09 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 2.58 0.00 18 A 7.98 4.02 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 19 L 8.37 4.09 0.00 2.00 1.81 1.09 1.18 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 8.54 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.93 0.00 1.89 1.98 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 22 L 8.00 3.91 0.00 1.94 1.78 0.98 0.62 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 8.42 3.97 0.00 1.91 1.86 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 1.49 1.61 7.81 24 A 7.90 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 7.44 3.49 1.29 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 -0.16 0.00 0.00 26 R 7.40 3.46 0.00 1.75 2.01 0.00 3.20 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 27 Q 7.59 4.12 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 28 L 7.56 4.36 0.00 1.69 1.62 0.85 0.65 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 C 7.23 4.34 0.00 2.97 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 9.26 4.07 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 0.00 0.00 0.00 31 A 7.84 4.13 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 8.05 3.94 0.00 2.09 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 2.28 2.24 0.00 *37 S 7.62 4.45 0.00 3.88 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 38 S 7.81 4.30 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.45 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 Q 8.20 4.33 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 42 E 8.77 4.02 0.00 2.34 2.21 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 2.42 2.54 0.00 43 V 8.11 3.74 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 1.14 0.00 0.00 1.05 0.00 0.00 44 E 8.21 3.96 0.00 2.10 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 2.38 2.42 0.00 45 I 7.84 3.63 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.53 0.00 0.00 46 W 8.23 4.19 0.00 3.43 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 47 T 8.33 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 8.30 4.35 0.00 2.86 2.85 0.00 0.00 7.10 7.16 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 49 R 8.14 4.04 0.00 1.80 1.93 0.00 3.12 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.50 0.00 50 I 8.13 3.76 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 0.98 0.00 0.00 51 K 8.47 4.16 0.00 1.95 2.03 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.57 7.81 52 E 8.52 3.98 0.00 2.25 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 2.34 2.42 0.00 53 L 8.06 3.99 0.00 1.82 1.83 0.83 0.87 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 54 E 8.45 3.63 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 55 D 8.50 4.47 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 4.02 0.00 3.44 3.34 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 57 L 8.05 3.39 0.00 0.46 0.34 0.55 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.67 5.09 0.00 3.27 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 7.80 4.03 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 0.00 0.00 0.00 60 E 8.02 4.34 0.00 1.76 1.70 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 2.35 2.18 0.00 61 S 6.57 3.47 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 4.27 0.00 2.02 2.12 0.00 3.45 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 63 I 7.27 4.24 1.94 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 1.11 0.61 0.95 0.00 0.00 64 A 7.68 4.23 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.