NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3429 8.2644 123.5894 51.7695 19.9632 176.2148 5 H 4.3295 8.5534 119.1887 55.7742 30.4629 173.5588 6 F 4.7342 8.0787 124.8211 57.0311 43.1020 172.7523 7 F 4.2860 7.2330 128.4201 56.0973 42.0259 173.9076 8 E 3.8201 7.3688 128.9105 54.6176 28.3455 175.9399 9 G 3.7179 8.1816 116.0603 48.1001 0.0000 172.8821 10 T 3.8155 7.7633 116.4482 64.0689 68.7736 173.5081 11 E 4.5718 8.5109 125.0987 54.8270 31.6906 175.1029 12 K 4.6193 8.2714 119.0982 54.5034 34.4232 175.8122 13 L 4.7337 8.3587 123.9208 52.9341 44.7415 175.1671 14 L 4.6994 8.4705 126.4960 53.0548 44.5724 174.9388 15 E 4.5384 8.7844 125.6860 54.2845 32.0428 174.4908 16 V 4.2832 8.3054 125.2040 60.6573 34.0642 174.1810 17 W 4.5655 8.6916 126.7287 54.8825 30.8203 175.2080 18 F 4.7160 8.8537 122.4906 56.3725 39.7906 175.8849 19 S 4.4793 8.7909 118.0750 58.8431 63.4904 173.7696 *28 G 3.7744 7.5936 109.6128 45.5184 0.0000 172.6756 29 S 4.1184 8.5852 112.5645 59.2146 63.2697 175.0108 30 G 3.8943 8.6369 107.6821 45.7989 0.0000 172.5130 31 D 4.6533 7.7402 118.7799 52.2777 44.3793 176.3267 32 L 4.0797 8.6430 126.3347 57.5463 41.9012 178.9731 33 R 4.3464 8.4370 116.7086 58.1830 30.0828 177.8490 34 T 4.0330 7.5640 114.8002 65.7635 68.7049 175.0479 35 I 3.4773 7.3176 122.3942 60.5519 37.3932 174.2879 36 P 4.4489 0.0000 0.0000 62.1545 32.1100 177.2004 37 R 4.1826 8.8051 119.8052 59.9563 29.8883 178.9883 38 S 4.2876 8.0209 113.5691 61.3199 63.0319 176.2975 39 E 3.8469 8.0069 122.0495 58.9492 29.1120 179.1600 40 W 4.5879 7.7764 118.4765 59.9359 29.1172 178.0318 41 D 4.4292 8.4517 118.8758 57.5009 39.7659 179.0507 42 I 3.7010 7.6820 119.8559 64.2649 36.8655 178.0980 43 L 4.0138 8.3176 121.5924 58.4592 41.9058 179.1450 44 L 4.0778 8.3906 118.9727 57.4029 41.5416 179.2552 45 K 4.0717 8.1826 119.8880 59.6826 31.8664 178.5750 46 D 4.4552 7.6803 117.3165 56.7521 40.8404 177.9796 47 V 3.8214 7.0586 116.4390 62.6037 32.1891 175.0947 48 Q 3.6842 8.7466 115.4017 57.0996 25.8503 172.0672 49 C 5.0259 7.9688 110.5861 57.6789 33.5757 173.2777 50 S 4.7601 8.8639 112.9154 56.8725 66.6673 173.0159 51 I 4.6423 8.3621 121.8677 61.1453 37.0718 175.9055 52 I 4.4951 8.7261 119.6501 61.2776 39.7725 175.9231 53 S 4.7379 7.8038 117.5771 57.1420 67.4659 173.2103 54 V 4.5878 8.2043 122.1507 61.4191 34.4860 174.7024 55 T 4.6405 8.6766 123.3909 61.7624 72.4544 173.0444 56 K 5.1349 8.7007 124.6476 54.8109 35.5150 175.1922 57 T 4.7285 8.4778 112.0213 59.4989 72.1032 173.6669 58 D 4.5068 8.8133 121.0760 57.2804 40.8900 178.4073 59 K 4.2984 7.9673 116.7771 58.0745 33.0588 176.5611 60 Q 4.5976 8.1601 114.6203 54.8332 31.5345 172.5652 61 E 4.9891 8.6388 118.2115 54.5703 31.7067 175.1896 62 A 4.8447 9.0343 126.1578 50.2326 22.0089 174.5683 63 Y 5.0109 8.6426 118.7077 56.1151 41.2617 175.1374 64 V 4.2684 8.6080 123.8739 61.6321 33.4205 174.9389 65 L 5.4880 8.1242 126.8062 53.3485 45.1568 175.2177 66 S 4.6118 8.2859 111.5709 57.6718 66.5364 175.8980 67 E 4.1746 8.8016 119.8818 56.9001 29.2946 176.9684 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 4 A 8.26 4.34 1.32 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 0.00 0.00 0.00 5 H 8.55 4.33 0.00 3.20 3.29 0.00 5.96 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.08 4.73 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 4.29 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 8 E 7.37 3.82 0.00 1.86 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 9 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.82 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 1.20 0.00 0.00 11 E 8.51 4.57 0.00 1.94 1.87 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 2.24 2.52 0.00 12 K 8.27 4.62 0.00 1.70 1.69 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 13 L 8.36 4.73 0.00 1.53 1.49 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.47 4.70 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 8.78 4.54 0.00 1.94 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 2.31 2.25 0.00 16 V 8.31 4.28 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 0.06 0.00 0.00 0.88 0.00 0.00 17 W 8.69 4.57 0.00 3.19 3.13 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 18 F 8.85 4.72 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 8.79 4.48 0.00 4.04 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 *28 G 7.59 3.77 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 0.00 0.00 0.00 29 S 8.59 4.12 0.00 3.98 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 30 G 8.64 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.74 4.65 0.00 2.61 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 8.64 4.08 0.00 1.81 1.84 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.44 4.35 0.00 1.96 2.05 0.00 3.19 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.66 0.00 34 T 7.56 4.03 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 1.18 0.00 0.00 35 I 7.32 3.48 1.71 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.39 -0.31 0.00 0.00 36 P 0.00 4.45 0.00 2.17 2.13 0.00 3.47 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 37 R 8.81 4.18 0.00 2.11 2.07 0.00 3.44 0.00 0.00 3.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 38 S 8.02 4.29 0.00 4.07 4.11 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 39 E 8.01 3.85 0.00 1.69 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 2.16 2.25 0.00 40 W 7.78 4.59 0.00 3.44 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 41 D 8.45 4.43 0.00 2.92 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 7.68 3.70 1.99 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 1.22 0.90 0.00 0.00 43 L 8.32 4.01 0.00 1.81 2.08 1.16 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.39 4.08 0.00 1.80 1.83 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.18 4.07 0.00 2.04 1.93 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 46 D 7.68 4.46 0.00 2.88 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 7.06 3.82 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 48 Q 8.75 3.68 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 49 C 7.97 5.03 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.86 4.76 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 51 I 8.36 4.64 1.96 0.00 0.00 0.85 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 0.56 1.11 0.00 0.00 52 I 8.73 4.50 1.87 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 1.43 0.65 0.92 0.00 0.00 53 S 7.80 4.74 0.00 3.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.59 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 0.24 0.00 0.00 0.92 0.00 0.00 55 T 8.68 4.64 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 8.70 5.13 0.00 1.54 1.63 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.27 7.81 57 T 8.48 4.73 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 8.81 4.51 0.00 2.69 2.80 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 0.00 0.00 0.00 59 K 7.97 4.30 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 60 Q 8.16 4.60 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 61 E 8.64 4.99 0.00 1.95 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 62 A 9.03 4.84 1.13 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 0.00 0.00 63 Y 8.64 5.01 0.00 2.63 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 64 V 8.61 4.27 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 8.12 5.49 0.00 1.54 1.66 0.87 0.84 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 66 S 8.29 4.61 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.80 4.17 0.00 2.03 1.96 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 2.40 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.