NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 K 4.3553 8.1733 122.1407 55.3026 34.8037 176.9332 0 L 3.3309 8.1032 121.4185 55.3491 41.1717 178.3114 1 C 4.3438 9.7768 130.6010 60.7717 40.8231 175.1793 2 S 3.8678 7.9056 114.5615 59.8724 62.8458 174.1080 3 L 4.2620 7.9906 123.3848 53.9313 41.0655 175.4645 4 D 4.4927 9.1746 129.1158 55.3733 39.8801 173.2915 5 N 4.3257 8.3284 109.5758 53.2008 37.6267 174.1537 6 G 3.6220 8.7666 101.1670 45.8107 0.0000 174.7695 7 D 4.5383 8.2934 115.8556 54.2433 40.5277 173.4929 8 C 4.5652 7.8786 114.9617 57.1214 40.8703 173.7483 9 D 4.4964 8.5110 123.7106 56.9374 42.0413 177.3292 10 Q 4.4652 7.3975 112.3870 55.8216 30.6653 179.5657 11 F 4.7316 7.0141 127.6642 58.5685 40.1820 172.5841 12 C 5.4356 8.9545 123.9482 55.8946 44.8848 173.3396 *13 H 5.1446 9.2013 123.2360 53.4763 32.3623 169.6078 14 E 4.9453 8.7846 120.6845 54.6494 31.0238 175.4828 15 E 4.4103 9.5038 126.7242 56.0123 32.0969 175.7013 16 Q 3.4021 9.5913 122.4942 58.1172 24.6842 169.9998 17 N 4.3531 8.1855 117.1690 52.3671 35.8924 175.1595 18 S 4.6501 7.7226 111.7767 57.0937 65.7853 172.8737 19 V 4.2102 8.3501 127.5217 62.8332 32.4042 175.1086 20 V 4.4158 9.2517 127.5719 61.4126 33.9762 173.8588 21 C 5.3660 8.8986 125.4176 56.4416 37.1130 172.6821 22 S 4.7278 8.8968 115.2606 57.7604 66.7435 171.6678 23 C 4.7869 8.5181 115.3139 54.6569 38.5126 174.3389 24 A 4.4239 8.9222 124.1196 51.7153 18.6883 177.3360 25 R 4.1709 8.4270 120.2467 58.0126 30.7068 176.9324 26 G 3.9966 9.4361 112.7732 45.0951 0.0000 171.8837 27 Y 5.2746 7.6436 115.7743 56.1048 41.4962 175.0755 28 T 4.7553 8.9788 111.5900 59.5695 72.2295 172.9169 29 L 4.5389 8.5157 125.8137 54.8527 42.9417 176.4516 30 A 4.2792 9.1609 128.7587 51.6305 19.4787 177.9384 31 D 4.2931 8.7760 118.6158 57.6521 40.8309 178.0406 32 N 4.4254 8.1524 113.6648 53.1117 37.5365 175.4642 33 G 3.9861 8.2458 106.9939 46.3862 0.0000 174.0910 34 K 4.4745 8.6782 118.3625 57.5432 35.4914 176.8313 35 A 4.6743 8.2198 120.4915 51.6829 20.3897 176.7119 36 C 5.3334 8.7540 117.1536 55.3188 37.6492 173.6729 37 I 4.6208 9.1221 125.7608 58.7982 38.9248 173.6808 38 P 4.1999 0.0000 0.0000 62.9425 31.1505 176.7365 39 T 4.0876 8.4548 114.6092 63.9181 69.7882 174.3050 40 G 4.0296 7.4192 108.5292 43.7775 0.0000 170.4299 41 P 4.0523 0.0000 0.0000 63.3969 32.1449 175.8428 42 Y 3.5962 7.5080 115.7569 58.5932 34.9248 169.2950 43 P 4.3805 0.0000 0.0000 62.0820 32.7310 176.1520 44 C 4.3731 8.3372 114.7740 59.7912 29.9438 174.3255 45 G 3.9933 9.0491 109.7731 45.2678 0.0000 173.1360 46 K 4.5674 7.1879 119.1551 54.1966 33.6386 176.5019 47 Q 4.1694 8.6569 123.1935 56.2871 29.3226 176.1208 48 T 4.4906 8.3124 111.3537 60.9960 70.0867 174.5826 49 L 4.6991 8.4728 122.2595 54.7238 43.8525 176.3767 50 E 4.2908 7.9917 122.4954 56.5420 30.5483 175.0195 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 -1 K 8.17 4.36 0.00 1.70 1.76 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 0 L 8.10 3.33 0.00 2.10 0.78 0.89 0.64 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 1 C 9.78 4.34 0.00 3.14 3.15 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 0.00 2 S 7.91 3.87 0.00 3.98 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 3 L 7.99 4.26 0.00 1.71 1.76 0.92 0.97 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 4 D 9.17 4.49 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.33 4.33 0.00 2.99 2.80 0.00 0.00 7.56 7.91 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 6 G 8.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.29 4.54 0.00 2.82 2.81 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 0.00 0.00 0.00 0.00 8 C 7.88 4.57 0.00 3.07 2.97 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 D 8.51 4.50 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.40 4.47 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.97 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 11 F 7.01 4.73 0.00 2.93 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 12 C 8.95 5.44 0.00 3.03 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 *13 H 9.20 5.14 0.00 2.58 2.83 0.00 7.24 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.78 4.95 0.00 1.84 1.91 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 2.25 2.33 0.00 15 E 9.50 4.41 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 16 Q 9.59 3.40 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.75 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 17 N 8.19 4.35 0.00 2.82 2.73 0.00 0.00 6.68 7.64 0.00 0.00 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 S 7.72 4.65 0.00 3.86 3.81 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 0.00 0.00 0.00 0.00 19 V 8.35 4.21 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 0.80 0.00 0.00 0.94 0.00 0.00 20 V 9.25 4.42 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 0.94 0.00 0.00 0.94 0.00 0.00 21 C 8.90 5.37 0.00 3.03 2.98 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 22 S 8.90 4.73 0.00 3.99 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 23 C 8.52 4.79 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.92 4.42 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 4.17 0.00 1.87 1.94 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 G 9.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 5.27 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.98 4.76 4.26 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 1.22 0.00 0.00 29 L 8.52 4.54 0.00 1.68 1.63 1.01 1.09 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 30 A 9.16 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.29 0.00 2.66 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 32 N 8.15 4.43 0.00 2.81 2.93 0.00 0.00 6.01 7.00 0.00 0.00 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 G 8.25 3.99 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 0.00 0.00 0.00 34 K 8.68 4.47 0.00 1.77 1.91 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.35 7.81 35 A 8.22 4.67 1.26 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 0.00 0.00 36 C 8.75 5.33 0.00 2.64 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 9.12 4.62 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.91 0.00 0.00 38 P 0.00 4.20 0.00 1.76 1.60 0.00 3.66 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 39 T 8.45 4.09 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 1.19 0.00 0.00 40 G 7.42 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 41 P 0.00 4.05 0.00 2.08 1.81 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 42 Y 7.51 3.60 0.00 3.16 3.02 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 0.00 0.00 0.00 43 P 0.00 4.38 0.00 1.77 1.74 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.78 0.00 44 C 8.34 4.37 0.00 3.19 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 45 G 9.05 3.99 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 0.00 0.00 0.00 46 K 7.19 4.57 0.00 1.64 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.60 7.81 47 Q 8.66 4.17 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.31 4.49 4.45 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 0.00 0.00 0.00 1.38 0.00 0.00 49 L 8.47 4.70 0.00 1.62 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.99 4.29 0.00 1.91 1.80 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 2.21 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.