NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1P F 4.8439 8.4245 122.8273 58.3306 40.3501 174.4754 *1O H 4.4678 7.9704 124.8507 50.4484 29.8865 169.6211 1N T 4.0658 8.2235 115.0654 60.9214 70.1338 173.4723 1M F 4.2350 9.2901 123.4145 57.8237 41.4337 174.4983 1L F 4.5865 8.1746 117.2160 55.4805 41.0600 173.9793 1K N 4.7340 8.4790 119.6335 52.3386 38.6129 174.4062 1J E 3.9731 8.5853 125.5856 59.5188 30.6650 179.5011 1I K 4.2883 7.7432 121.0111 59.5154 33.1215 177.4265 1H T 4.2708 7.9101 106.7972 63.6510 69.5468 175.5013 1G F 4.1379 9.4737 123.0755 58.1616 39.6181 175.9388 1F G 3.9098 7.9762 107.4036 44.9742 0.0000 173.1211 1E L 4.2464 7.9897 118.5584 54.9820 42.0937 177.4667 1D G 4.1728 9.2000 107.7685 45.8505 0.0000 175.5956 1C E 4.1963 8.9689 120.3493 59.4605 29.7800 178.7823 1B A 4.3192 8.1852 120.2224 55.2162 18.6865 177.5075 1A D 4.6788 7.6949 112.4164 54.5799 41.0567 176.0424 1 C 4.0549 7.7165 113.6624 60.2713 29.8411 174.4646 2 G 4.0440 8.7677 108.5293 46.0673 0.0000 173.2591 3 L 4.4750 7.2070 119.3118 52.4567 42.4761 176.7426 4 R 4.2184 8.8151 125.1355 54.8428 30.4071 176.3064 5 P 3.9795 0.0000 0.0000 65.1058 31.2317 177.4715 6 L 4.4981 7.9138 116.4948 54.5543 41.7693 176.1379 7 F 4.8215 8.4480 117.2081 57.9956 42.4628 176.8725 8 E 3.9826 8.2732 120.9902 59.3679 30.1894 179.0983 9 K 4.1048 8.1713 118.0412 59.6791 32.2771 179.1153 10 K 4.1188 7.3620 111.2557 56.5764 31.6559 177.1955 11 S 3.7316 7.7859 114.2141 59.5023 60.6463 172.4117 12 L 4.6772 8.7358 120.5960 53.1394 44.6793 174.7087 13 K 4.8786 8.6478 125.7225 54.4568 33.4905 176.2084 14 D 4.8453 9.0243 124.1548 53.2892 39.7913 177.4992 14A T 4.0141 8.3922 109.5953 63.7891 69.2861 174.9652 14B T 4.5815 7.7812 109.9923 60.2054 70.3126 175.4446 14C E 3.9750 8.8858 122.0835 58.8888 29.2714 178.8921 14D K 3.7912 7.9709 120.8190 59.5517 32.0605 177.8915 14E E 3.8526 7.7067 117.6680 59.1849 29.7446 178.2733 14F L 3.9520 7.8094 118.3744 57.9033 41.6280 179.2422 14G L 3.1934 7.5209 118.2252 57.8519 41.4996 179.4205 14H D 4.3547 8.1579 117.2885 56.5517 40.8447 178.2723 14I S 4.4410 7.1053 112.9660 58.9713 64.4658 174.8916 14J Y 4.9474 7.5660 122.2188 57.4355 37.3409 176.0533 14K I 4.2957 7.9335 124.7959 60.8690 37.0339 180.3871 14L D 4.6456 8.9116 121.4533 52.4626 41.7377 176.5430 14M G 3.9907 8.7784 107.6903 46.3465 0.0000 173.2509 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 1P F 8.42 4.84 0.00 2.98 3.12 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 0.00 0.00 0.00 *1O H 7.97 4.47 0.00 3.03 2.81 0.00 7.26 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1N T 8.22 4.07 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 1.14 0.00 0.00 1M F 9.29 4.24 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 1L F 8.17 4.59 0.00 2.30 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1K N 8.48 4.73 0.00 2.76 2.81 0.00 0.00 6.48 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1J E 8.59 3.97 0.00 2.12 1.93 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 2.45 2.45 0.00 1I K 7.74 4.29 0.00 1.78 1.99 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.58 7.81 1H T 7.91 4.27 4.32 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 1.26 0.00 0.00 1G F 9.47 4.14 0.00 3.05 3.20 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 1F G 7.98 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 0.00 0.00 0.00 1E L 7.99 4.25 0.00 1.66 1.65 0.94 1.00 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 1D G 9.20 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.97 4.20 0.00 2.30 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 2.62 1.91 0.00 1B A 8.19 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.69 4.68 0.00 2.63 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 1 C 7.72 4.05 0.00 3.18 3.29 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 2 G 8.77 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.21 4.47 0.00 1.57 1.63 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.82 4.22 0.00 2.26 2.08 0.00 2.99 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 5 P 0.00 3.98 0.00 2.22 2.34 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 6 L 7.91 4.50 0.00 1.69 1.27 0.92 0.66 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 7 F 8.45 4.82 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.98 0.00 1.98 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 2.33 2.44 0.00 9 K 8.17 4.10 0.00 2.00 1.85 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.48 7.81 10 K 7.36 4.12 0.00 1.68 1.77 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.45 7.81 11 S 7.79 3.73 0.00 3.97 3.90 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 12 L 8.74 4.68 0.00 1.60 1.44 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.65 4.88 0.00 1.83 1.77 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 D 9.02 4.85 0.00 2.68 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 0.00 0.00 0.00 14A T 8.39 4.01 4.25 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 1.25 0.00 0.00 14B T 7.78 4.58 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 14C E 8.89 3.97 0.00 2.13 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 14D K 7.97 3.79 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.82 1.48 7.81 14E E 7.71 3.85 0.00 1.99 2.06 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 2.26 2.31 0.00 14F L 7.81 3.95 0.00 1.77 1.59 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.52 3.19 0.00 1.81 1.61 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14H D 8.16 4.35 0.00 2.49 2.68 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 0.00 0.00 0.00 14I S 7.11 4.44 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.57 4.95 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 7.93 4.30 1.90 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 1.76 0.57 0.93 0.00 0.00 14L D 8.91 4.65 0.00 2.81 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 14M G 8.78 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 * Residues marked with a * may have inaccurate shift predictions.