NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6708 8.5245 118.1230 52.6440 40.7127 174.6803 3 Q 4.5041 7.4804 113.5190 51.5639 32.4691 174.4299 4 P 4.4680 0.0000 0.0000 63.2701 32.8131 176.6356 5 I 3.7835 8.2964 116.9790 61.7707 38.0117 175.7028 6 E 4.7322 8.2868 117.7957 53.7235 32.4365 176.0229 7 L 4.3460 8.3008 123.4509 53.8111 42.5360 177.9511 8 S 4.4000 9.1354 118.7110 57.5242 65.2586 175.3401 9 L 3.6629 8.2038 123.2495 58.3739 41.7640 178.7142 10 E 4.0449 8.0598 117.8860 59.5969 29.4324 179.3163 11 Q 4.0317 7.9422 117.9119 59.0728 28.7925 178.8328 12 Q 4.0377 8.4628 119.5198 58.9865 28.6763 178.6410 13 F 4.5940 8.6150 119.3329 60.7968 38.9211 177.6849 14 S 4.1777 8.2902 112.7857 61.4259 62.2029 176.3473 15 I 3.8464 7.8641 122.5698 64.4381 36.7549 178.4518 16 R 4.0082 8.1775 119.6116 59.3625 29.5095 178.7639 17 S 4.1276 8.4994 115.5300 61.4069 62.9016 176.2724 18 F 4.2236 8.5146 123.2222 61.3552 38.5934 177.0464 19 A 3.8303 8.1137 120.5484 55.1136 17.8608 179.6762 20 T 3.7864 7.3877 107.9520 65.1569 68.5207 176.5211 21 Q 3.9910 7.6280 120.4859 58.5425 28.4576 178.8378 22 V 3.3081 7.0065 118.2912 65.5816 31.4989 177.4623 23 Q 4.0253 7.3326 117.8542 59.0509 28.9139 177.4314 24 N 4.4463 7.4452 114.0516 53.7601 38.9375 174.7124 *26 S 4.2306 7.2989 115.2281 57.8393 64.4842 173.9098 27 H 3.9351 8.7195 119.1590 60.1699 29.4149 176.5605 28 D 4.4241 8.1340 119.7391 57.3254 40.7024 178.7819 29 Q 4.0478 8.0401 118.2234 58.8846 28.6771 178.5506 30 A 4.0270 8.2707 122.0280 55.2027 18.5327 179.9214 31 K 3.9595 8.0862 117.0192 59.6628 32.1180 179.4477 32 D 4.4056 8.2914 119.2782 57.2848 40.6417 178.5925 33 F 3.9792 8.5899 121.3628 61.0932 39.3814 177.1313 34 L 4.1555 8.4052 118.9104 57.9269 41.4731 179.7296 35 V 3.6883 7.7788 117.7523 66.0416 31.5425 178.2519 36 K 3.9559 8.0735 118.3052 59.2346 31.6127 179.1845 37 L 4.0856 8.0377 120.0209 58.3817 42.1684 178.0688 38 Y 4.2789 8.0519 118.3550 60.6005 38.9946 177.2170 39 E 3.9941 8.2778 120.3350 59.1521 29.7250 179.7664 40 Q 4.1780 7.7699 116.0301 56.1881 28.6211 178.5871 *42 V 3.7990 7.7616 121.4004 62.9116 33.5086 177.5435 43 V 3.5411 7.7596 118.8320 66.1007 31.2505 178.2644 44 R 3.8460 8.0856 117.7979 59.1029 29.8239 178.5871 45 E 4.0706 8.1969 118.4799 59.3527 29.7331 178.5617 46 A 3.9946 8.2185 120.8325 55.3320 18.3702 179.8901 47 T 3.7522 7.7423 114.2601 67.0968 68.5902 176.7233 48 Y 4.2354 8.0234 118.6261 61.1774 37.6244 178.5620 49 Q 4.0898 8.3528 118.5840 58.8154 28.9407 178.2308 50 E 4.0825 8.1283 120.3223 59.3175 29.6251 178.6936 51 L 4.0354 7.9774 119.0238 57.9042 41.5449 179.0351 52 L 4.4113 7.9551 116.0621 56.0785 41.8680 178.7243 53 K 4.2059 7.7500 118.4270 57.5462 32.3817 176.9139 54 H 3.9885 7.4599 119.8359 56.2692 30.1312 174.1570 55 Q 4.4846 8.0852 125.6588 54.0198 29.7280 175.0497 56 W 4.2581 8.8934 123.9964 57.1254 29.9334 176.7322 57 G 4.0923 8.9453 111.6949 45.7268 0.0000 172.7831 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 2 N 8.52 4.67 0.00 2.72 2.92 0.00 0.00 6.56 6.81 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 3 Q 7.48 4.50 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 4 P 0.00 4.47 0.00 2.02 2.01 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 5 I 8.30 3.78 1.85 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 1.24 0.38 0.88 0.00 0.00 6 E 8.29 4.73 0.00 1.97 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 7 L 8.30 4.35 0.00 1.62 1.62 0.93 0.96 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 8 S 9.14 4.40 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.66 0.00 1.57 1.50 0.44 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.06 4.04 0.00 2.08 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 2.42 2.52 0.00 11 Q 7.94 4.03 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 12 Q 8.46 4.04 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 13 F 8.62 4.59 0.00 3.18 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 14 S 8.29 4.18 0.00 4.08 4.08 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 0.00 0.00 0.00 15 I 7.86 3.85 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.99 0.00 0.00 16 R 8.18 4.01 0.00 2.04 1.99 0.00 3.20 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 17 S 8.50 4.13 0.00 4.10 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 18 F 8.51 4.22 0.00 3.21 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 8.11 3.83 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 20 T 7.39 3.79 4.19 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 0.00 0.00 1.24 0.00 0.00 21 Q 7.63 3.99 0.00 1.91 2.05 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 2.34 2.52 0.00 22 V 7.01 3.31 1.69 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 0.59 0.00 0.00 -0.04 0.00 0.00 23 Q 7.33 4.03 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 24 N 7.45 4.45 0.00 2.83 2.81 0.00 0.00 7.01 7.45 0.00 0.00 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 7.30 4.23 0.00 4.05 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 8.72 3.94 0.00 3.20 3.38 0.00 5.67 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 8.13 4.42 0.00 2.77 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 29 Q 8.04 4.05 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 30 A 8.27 4.03 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 31 K 8.09 3.96 0.00 1.88 1.86 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.45 7.81 32 D 8.29 4.41 0.00 2.76 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 33 F 8.59 3.98 0.00 3.34 3.16 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 0.00 0.00 0.00 0.00 34 L 8.41 4.16 0.00 1.97 1.77 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.78 3.69 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 1.07 0.00 0.00 0.97 0.00 0.00 36 K 8.07 3.96 0.00 1.86 1.62 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 37 L 8.04 4.09 0.00 1.88 1.96 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.05 4.28 0.00 3.11 3.06 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 39 E 8.28 3.99 0.00 2.09 2.04 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 0.00 2.25 2.31 0.00 40 Q 7.77 4.18 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.17 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 *42 V 7.76 3.80 1.90 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 0.85 0.00 0.00 0.20 0.00 0.00 43 V 7.76 3.54 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 0.92 0.00 0.00 0.89 0.00 0.00 44 R 8.09 3.85 0.00 2.01 2.05 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 45 E 8.20 4.07 0.00 2.06 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 2.40 2.42 0.00 46 A 8.22 3.99 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 47 T 7.74 3.75 4.15 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 0.00 0.00 1.03 0.00 0.00 48 Y 8.02 4.24 0.00 3.18 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 8.35 4.09 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 50 E 8.13 4.08 0.00 2.18 2.11 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 2.29 2.38 0.00 51 L 7.98 4.04 0.00 2.04 1.83 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.96 4.41 0.00 1.89 1.79 1.01 0.84 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 53 K 7.75 4.21 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.60 7.81 54 H 7.46 3.99 0.00 2.89 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.09 4.48 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 56 W 8.89 4.26 0.00 3.31 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.