NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8332 8.4444 120.4051 56.3679 31.0666 172.0380 6 F 4.5097 7.8395 124.0231 56.5943 41.9488 172.2131 7 F 4.2995 7.2447 126.9657 56.1922 43.1165 173.7070 8 E 3.9457 7.0486 128.4659 54.3442 28.4028 175.6585 9 G 3.7633 8.2098 115.7543 48.1130 0.0000 172.8257 10 T 3.8393 7.7994 116.4909 64.0316 68.7952 173.4101 11 E 4.5682 8.5392 125.2871 54.8340 31.5265 175.2486 12 K 4.5116 8.3091 120.1582 54.6685 33.7243 175.9119 13 L 4.7224 8.3963 124.8111 52.8756 44.5843 175.0159 14 L 4.7220 8.4632 126.6520 53.0422 44.5616 174.9430 15 E 4.5580 8.7402 125.5738 54.3024 32.2028 174.5138 16 V 4.3142 8.2461 124.9156 60.7033 34.2823 174.1384 17 W 4.5877 8.7622 126.7111 55.0230 30.5595 175.7259 18 F 4.8394 8.8069 122.3680 56.6589 40.3826 176.5287 19 S 4.6772 8.1811 115.4899 57.2028 62.5000 173.4173 *29 S 4.3371 8.1147 123.0775 58.0521 64.9306 176.0896 30 G 3.9600 8.6013 104.9023 45.7592 0.0000 172.3983 31 D 4.6810 7.5207 119.4038 52.2281 44.4139 176.4116 32 L 4.0807 8.6783 126.4368 57.7920 41.9095 179.1853 33 R 4.2898 8.5983 117.1534 58.3602 29.9688 177.5172 34 T 4.1516 7.6017 106.8365 62.5838 69.2211 174.9186 35 I 3.7034 7.5936 125.1337 60.2806 37.8031 174.2351 36 P 4.5146 0.0000 0.0000 62.1334 32.5542 177.1900 37 R 4.1646 8.9568 119.7363 59.9695 29.9372 179.2309 38 S 4.2271 8.1229 113.0833 61.5874 62.7960 176.3860 39 E 3.8211 7.9228 121.4881 58.9435 29.1581 179.1871 40 W 4.6346 7.7889 118.4471 60.0180 29.0271 178.1020 41 D 4.4184 8.8206 119.0717 57.4190 40.2648 179.0243 42 I 3.6914 7.8621 120.2251 64.2939 35.7823 178.0628 43 L 3.9696 8.3749 121.5285 58.4134 41.8871 179.1428 44 L 4.2753 8.2732 118.9029 57.6541 41.4559 179.3669 45 K 4.2009 8.2997 121.0831 58.9983 31.8582 178.5220 46 D 4.5184 8.1126 118.3160 55.9733 40.8104 177.1635 47 V 4.3874 6.9619 112.6276 61.4207 31.9807 175.3006 48 Q 3.4813 7.8677 114.9159 57.3978 26.6216 173.1780 49 C 5.0991 8.0979 112.5600 58.3926 33.2636 173.7726 50 S 4.6623 8.4572 112.9188 57.2368 66.3356 173.4516 51 I 4.4737 8.4233 123.2063 61.3543 37.1556 175.7067 52 I 4.5363 8.4684 119.8561 61.1688 39.4776 175.7236 53 S 4.6673 7.5633 115.0478 57.5323 65.5817 174.3711 54 V 4.6566 8.2620 120.7116 61.6152 34.9714 175.1369 55 T 4.4269 8.4987 122.5452 62.4176 72.2842 172.9352 56 K 4.9928 8.6073 126.2825 54.9650 34.3511 175.8405 57 T 4.7083 8.5395 112.9270 59.6122 72.1298 173.8702 58 D 4.4980 8.7959 120.3299 57.7688 40.9189 178.6961 59 K 4.1441 8.1207 116.6018 58.8026 32.4365 177.0396 60 Q 4.6086 8.1115 115.1064 54.3251 31.7892 173.1000 61 E 4.8803 8.6997 117.5380 54.5111 31.8449 175.2374 62 A 4.8140 8.7879 126.7962 50.2904 21.7304 174.8166 63 Y 4.9723 8.5697 118.8423 56.1042 41.5064 175.0277 64 V 4.3105 8.6201 123.9270 61.4016 33.4376 174.3609 65 L 5.3517 8.5977 127.4968 52.9026 44.4935 175.9111 66 S 4.7723 8.7029 117.2448 56.1279 66.5464 174.1940 67 E 4.5840 8.7479 119.7246 56.8628 29.1000 177.2299 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 5 H 8.44 4.83 0.00 3.17 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.84 4.51 0.00 3.03 2.83 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 0.00 0.00 0.00 7 F 7.24 4.30 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.05 3.95 0.00 1.83 1.47 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 2.16 2.23 0.00 9 G 8.21 3.76 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 0.00 0.00 0.00 10 T 7.80 3.84 4.37 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 1.21 0.00 0.00 11 E 8.54 4.57 0.00 1.95 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 2.25 2.55 0.00 12 K 8.31 4.51 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 L 8.40 4.72 0.00 1.53 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.46 4.72 0.00 1.57 1.48 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.74 4.56 0.00 1.93 1.82 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 2.32 2.20 0.00 16 V 8.25 4.31 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 0.14 0.00 0.00 0.88 0.00 0.00 17 W 8.76 4.59 0.00 3.17 3.14 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 18 F 8.81 4.84 0.00 3.07 3.03 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 19 S 8.18 4.68 0.00 3.98 3.91 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 *29 S 8.11 4.34 0.00 3.90 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 30 G 8.60 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.68 0.00 2.83 2.47 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 0.00 32 L 8.68 4.08 0.00 1.81 1.84 1.06 0.68 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 33 R 8.60 4.29 0.00 1.96 2.18 0.00 3.20 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 34 T 7.60 4.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 I 7.59 3.70 1.73 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 -0.40 0.00 0.00 36 P 0.00 4.51 0.00 2.15 2.11 0.00 3.43 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 37 R 8.96 4.16 0.00 1.92 2.13 0.00 3.60 0.00 0.00 3.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 38 S 8.12 4.23 0.00 4.03 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 39 E 7.92 3.82 0.00 1.71 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 40 W 7.79 4.63 0.00 3.43 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 41 D 8.82 4.42 0.00 2.87 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 42 I 7.86 3.69 1.97 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 1.41 0.66 0.90 0.00 0.00 43 L 8.37 3.97 0.00 1.75 2.06 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.27 4.28 0.00 1.81 1.82 0.84 0.75 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 45 K 8.30 4.20 0.00 1.94 1.98 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.36 7.81 46 D 8.11 4.52 0.00 2.90 2.73 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 0.00 0.00 0.00 47 V 6.96 4.39 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 0.72 0.00 0.00 1.06 0.00 0.00 48 Q 7.87 3.48 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 49 C 8.10 5.10 0.00 2.96 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 50 S 8.46 4.66 0.00 3.88 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 51 I 8.42 4.47 1.97 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 1.40 0.55 1.13 0.00 0.00 52 I 8.47 4.54 1.88 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 0.64 0.92 0.00 0.00 53 S 7.56 4.67 0.00 3.83 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 54 V 8.26 4.66 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 0.20 0.00 0.00 0.89 0.00 0.00 55 T 8.50 4.43 4.14 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 1.15 0.00 0.00 56 K 8.61 4.99 0.00 1.57 1.67 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.28 7.81 57 T 8.54 4.71 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 58 D 8.80 4.50 0.00 2.67 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 59 K 8.12 4.14 0.00 1.73 1.87 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 60 Q 8.11 4.61 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 61 E 8.70 4.88 0.00 1.94 1.75 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 2.17 2.29 0.00 62 A 8.79 4.81 1.14 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 0.00 0.00 63 Y 8.57 4.97 0.00 2.63 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 64 V 8.62 4.31 2.08 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 1.03 0.00 0.00 0.92 0.00 0.00 65 L 8.60 5.35 0.00 1.53 1.53 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.70 4.77 0.00 3.83 3.91 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 67 E 8.75 4.58 0.00 2.00 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 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.