NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1P F 4.5155 8.4245 122.8253 58.0264 40.0701 175.1128 *1O H 4.1534 8.1575 126.0160 53.4700 27.7155 170.3783 1N T 4.3015 8.5328 122.4307 62.8319 69.8837 173.8427 1M F 4.4009 9.5873 125.0229 57.9385 41.4505 174.8356 1L F 4.6151 8.9536 118.3136 55.4463 41.4653 173.6702 1K N 4.9672 8.4975 119.4812 51.7693 40.0788 174.8966 1J E 4.8035 8.7401 122.7055 57.6385 30.0400 178.8828 1I K 4.1128 8.7409 120.1084 58.7041 32.4326 177.8267 1H T 4.4295 7.9286 107.1920 62.5661 70.2635 175.2949 1G F 4.1804 9.0128 123.3667 58.4990 39.7943 175.7599 1F G 3.8351 7.9360 107.4977 44.5683 0.0000 172.4087 1E L 4.4945 7.8207 118.0826 54.4736 42.7458 176.5107 1D G 4.1164 9.1123 108.8445 46.4302 0.0000 176.0769 1C E 4.0609 8.9778 120.4865 59.2995 29.8358 178.4326 1B A 4.0670 8.2932 119.7402 55.0299 18.3679 177.5008 1A D 4.6907 7.4386 110.9044 53.8347 41.3364 176.0498 1 C 4.1395 7.5030 113.3792 58.9806 29.9244 175.1891 2 G 3.8382 8.5477 107.3145 45.8697 0.0000 173.5574 3 L 4.4749 7.2575 120.1965 52.8208 42.1151 176.5227 4 R 4.2078 8.8534 124.5642 55.1927 30.7559 176.1670 5 P 4.2083 0.0000 0.0000 65.8005 31.3845 177.3651 6 L 4.1871 7.7771 113.8809 54.8710 42.2428 176.7758 7 F 4.6856 7.4975 114.7935 57.8186 41.1737 176.3027 8 E 4.0159 9.2837 124.1455 60.1383 30.3105 179.9791 9 K 4.0202 8.2621 117.0866 58.6254 32.1692 177.9274 10 K 4.3546 7.8410 115.3448 55.4588 32.2819 176.0693 11 S 3.8337 7.6194 113.6754 59.5670 60.8260 171.6868 12 L 4.8300 8.0676 118.9842 52.8676 43.6637 176.2510 13 K 4.9160 8.4130 121.2408 54.3797 34.1897 176.1210 14 D 4.6796 9.1183 123.0282 52.8387 40.2044 177.2467 14A T 3.7047 8.5235 116.6942 66.5753 68.5466 175.2293 14B T 4.5325 8.5585 108.3915 60.7460 69.6617 175.1493 14C E 3.8070 7.9137 123.8762 59.8867 29.3527 178.8604 14D K 3.7085 8.0673 118.8888 59.9028 31.8588 177.7156 14E E 3.8904 7.7953 117.7070 59.3840 29.7179 178.7853 14F L 3.8398 7.4810 118.1265 57.8254 41.8015 179.3072 14G L 3.4396 7.7093 118.8278 57.5788 41.2983 179.0699 14H D 4.4198 8.2302 117.9582 55.9133 40.8487 177.6167 14I S 4.5765 7.3807 113.3282 58.6034 64.3935 173.5971 14J Y 4.7924 7.2563 121.7697 57.9259 37.6502 176.0137 14K I 3.9127 7.7785 112.8608 60.6182 38.8600 175.5289 14L D 4.6122 8.5718 121.1966 54.5649 40.9807 176.4781 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 4.52 0.00 3.03 3.11 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 0.00 0.00 0.00 *1O H 8.16 4.15 0.00 3.05 2.87 0.00 7.26 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1N T 8.53 4.30 4.30 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 1.26 0.00 0.00 1M F 9.59 4.40 0.00 2.74 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.62 0.00 2.46 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 1K N 8.50 4.97 0.00 2.72 2.74 0.00 0.00 6.65 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 8.74 4.80 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 1I K 8.74 4.11 0.00 1.92 1.95 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.41 7.81 1H T 7.93 4.43 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1G F 9.01 4.18 0.00 3.03 3.27 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 1F G 7.94 3.84 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 0.00 0.00 0.00 1E L 7.82 4.49 0.00 1.66 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1D G 9.11 4.12 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 0.00 0.00 0.00 1C E 8.98 4.06 0.00 2.11 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 2.66 2.59 0.00 1B A 8.29 4.07 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 7.44 4.69 0.00 2.65 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 1 C 7.50 4.14 0.00 3.12 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 2 G 8.55 3.84 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 0.00 0.00 0.00 3 L 7.26 4.47 0.00 1.56 1.64 0.89 0.88 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 4 R 8.85 4.21 0.00 2.29 2.10 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 5 P 0.00 4.21 0.00 2.03 2.11 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 6 L 7.78 4.19 0.00 1.35 1.17 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.50 4.69 0.00 3.06 2.91 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 8 E 9.28 4.02 0.00 2.12 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 2.44 2.47 0.00 9 K 8.26 4.02 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.56 7.81 10 K 7.84 4.35 0.00 1.64 1.76 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.58 7.81 11 S 7.62 3.83 0.00 3.97 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 12 L 8.07 4.83 0.00 1.52 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.41 4.92 0.00 1.76 1.77 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 14 D 9.12 4.68 0.00 2.39 1.59 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 14A T 8.52 3.70 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 8.56 4.53 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 1.18 0.00 0.00 14C E 7.91 3.81 0.00 1.93 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 2.32 2.55 0.00 14D K 8.07 3.71 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.50 7.81 14E E 7.80 3.89 0.00 1.97 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 2.28 2.33 0.00 14F L 7.48 3.84 0.00 1.68 1.47 0.92 0.65 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 14G L 7.71 3.44 0.00 1.54 1.62 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14H D 8.23 4.42 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.58 0.00 4.05 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 14J Y 7.26 4.79 0.00 2.91 2.91 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 14K I 7.78 3.91 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 1.49 0.56 0.96 0.00 0.00 14L D 8.57 4.61 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.