NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1P F 4.4867 8.4245 122.8242 58.0989 40.4652 174.9370 *1O H 4.1847 7.8182 125.1670 53.2974 27.8528 171.0472 1N T 4.3712 8.5169 122.3288 63.0510 69.7812 173.9182 1M F 4.6134 9.1961 122.6365 57.2069 41.3367 174.2421 1L F 4.6743 8.3659 117.4017 55.3991 42.0243 174.4928 1K N 4.6649 8.5742 120.2591 52.7734 39.7893 174.9980 1J E 4.0403 9.0691 128.7203 59.7657 29.3720 178.7942 1I K 3.9373 8.4999 117.8454 59.3010 32.2454 178.4203 1H T 4.4156 7.8905 107.0099 62.6290 69.9006 175.9127 1G F 4.3605 8.5694 123.3142 57.9851 39.7964 175.8562 1F G 3.8765 8.1831 103.3877 44.3509 0.0000 172.5468 1E L 4.2678 7.8197 118.5735 54.7267 42.5891 176.9831 1D G 4.1563 9.0474 107.7472 46.2377 0.0000 175.9475 1C E 4.0452 8.8665 120.2540 59.2612 29.9022 178.4853 1B A 4.0629 8.2700 120.0013 55.0519 18.5353 177.4688 1A D 4.7279 7.6699 112.1450 53.8124 41.2997 175.7914 1 C 4.1710 7.1801 112.4434 59.4052 29.7724 174.4976 2 G 3.7851 8.7060 108.7116 45.6859 0.0000 173.5486 3 L 4.4761 7.0176 119.4486 52.5011 41.8299 176.2687 4 R 4.0843 8.7930 124.3491 55.4685 30.3189 176.4426 5 P 4.1951 0.0000 0.0000 65.4008 31.4322 177.0894 6 L 4.3481 7.7541 114.8072 54.1838 42.2329 176.4578 7 F 4.8359 8.1428 115.9231 58.0925 41.5903 176.4691 8 E 4.0760 9.2828 123.8207 60.1888 30.1811 179.3842 9 K 4.2914 8.0537 114.8936 57.8413 32.0065 177.2800 10 K 4.4448 8.3223 117.4468 55.3108 33.5971 177.1649 11 S 3.9693 7.9126 113.4643 59.2060 60.7639 170.8258 12 L 4.7471 7.2151 120.1086 53.2737 43.1244 176.1672 13 K 4.9930 8.3346 119.5770 54.6585 35.6338 176.1833 14 D 4.5838 8.8663 122.2547 52.7025 40.2587 177.5276 14A T 3.9093 8.3820 117.4406 66.8001 68.5978 174.9207 14B T 4.6304 8.5189 109.0577 60.5336 70.0338 175.2881 14C E 3.8333 8.3303 123.7791 60.1866 29.3822 179.0449 14D K 3.7533 8.0578 118.7273 59.6919 31.9132 177.9417 14E E 3.8618 7.7045 118.2765 58.9456 29.5504 178.7184 14F L 3.9196 7.7881 119.0781 57.4445 41.9415 178.9195 14G L 3.4509 7.5480 118.1986 57.9704 41.3809 179.3289 14H D 4.3544 8.4062 117.8568 56.7226 40.7797 178.2457 14I S 4.2887 7.5765 113.4527 59.5697 64.6121 174.9138 14J Y 4.7498 7.3744 123.2157 56.0121 34.6506 175.1521 14K I 3.5051 7.1168 118.8384 61.1192 38.3880 175.9467 14L D 4.5955 8.9667 123.2420 54.9152 40.8499 176.2489 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 4.49 0.00 3.05 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 *1O H 7.82 4.18 0.00 3.05 2.87 0.00 7.26 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1N T 8.52 4.37 4.29 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 1.31 0.00 0.00 1M F 9.20 4.61 0.00 2.75 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 1L F 8.37 4.67 0.00 2.55 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 1K N 8.57 4.66 0.00 2.77 2.77 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 9.07 4.04 0.00 2.15 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 2.46 2.53 0.00 1I K 8.50 3.94 0.00 1.91 1.91 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.60 7.81 1H T 7.89 4.42 4.33 0.00 0.00 0.00 0.00 0.00 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 8.57 4.36 0.00 3.13 3.22 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 0.00 1F G 8.18 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E L 7.82 4.27 0.00 1.66 1.65 0.93 0.98 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 1D G 9.05 4.16 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 0.00 0.00 0.00 1C E 8.87 4.05 0.00 2.12 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 2.65 2.51 0.00 1B A 8.27 4.06 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 1A D 7.67 4.73 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 4.17 0.00 2.96 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 2 G 8.71 3.79 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 0.00 0.00 0.00 3 L 7.02 4.48 0.00 1.74 1.65 0.96 0.89 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 4 R 8.79 4.08 0.00 2.27 2.12 0.00 3.21 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 5 P 0.00 4.20 0.00 2.02 2.12 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 6 L 7.75 4.35 0.00 1.15 1.05 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.14 4.84 0.00 3.06 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 8 E 9.28 4.08 0.00 2.13 2.07 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 2.45 2.47 0.00 9 K 8.05 4.29 0.00 1.85 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 K 8.32 4.44 0.00 1.75 1.71 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.49 7.81 11 S 7.91 3.97 0.00 4.00 4.01 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 0.00 0.00 0.00 12 L 7.22 4.75 0.00 1.76 1.71 0.95 0.69 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 13 K 8.33 4.99 0.00 1.73 1.75 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 14 D 8.87 4.58 0.00 2.46 1.65 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 0.00 0.00 0.00 0.00 14A T 8.38 3.91 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 1.20 0.00 0.00 14B T 8.52 4.63 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 1.17 0.00 0.00 14C E 8.33 3.83 0.00 2.02 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 2.25 2.53 0.00 14D K 8.06 3.75 0.00 1.78 1.78 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.30 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.48 7.81 14E E 7.70 3.86 0.00 1.89 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 2.26 2.31 0.00 14F L 7.79 3.92 0.00 1.68 1.44 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.55 3.45 0.00 1.61 1.73 0.93 1.26 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 14H D 8.41 4.35 0.00 2.61 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 7.58 4.29 0.00 3.95 3.98 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 14J Y 7.37 4.75 0.00 3.08 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 14K I 7.12 3.51 1.91 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 1.32 0.66 0.93 0.00 0.00 14L D 8.97 4.60 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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.