NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2843 8.0427 122.4919 54.6318 44.0005 178.0381 7 E 3.7524 8.4090 120.3570 57.9725 29.4864 176.7287 8 K 3.9437 9.0315 120.6043 60.0184 32.3661 177.9270 9 E 4.0528 8.1036 116.5164 59.1562 29.5431 178.7376 10 L 4.1060 8.0889 118.6543 57.9935 42.0192 179.3229 11 F 4.3458 8.2989 117.4922 60.4802 38.8097 177.8602 12 E 3.8966 7.9673 113.6015 57.5781 29.0811 178.6413 *14 L 4.1938 8.0143 120.2983 55.0187 43.8341 178.7769 15 D 4.3243 8.1938 117.3468 57.3973 41.1308 177.8107 16 E 3.9712 8.1610 119.8128 59.3819 29.5971 178.6003 17 D 4.3348 8.0019 118.4985 57.2958 41.1881 178.6549 18 V 3.5955 8.2588 119.2074 65.9174 31.4746 178.2123 19 R 3.8746 8.0522 117.7450 59.4382 30.0075 178.4094 20 E 3.9269 8.1323 118.9505 59.5308 29.4486 178.8022 21 L 3.9550 7.8621 120.2535 57.6713 42.1244 178.5621 22 L 3.7910 7.6623 119.9706 58.3329 41.9987 178.9290 23 S 4.0810 7.9110 114.9725 61.6414 62.7940 176.7304 24 L 3.9203 7.9243 122.6117 58.2847 41.8386 178.7234 25 I 3.7181 8.0967 120.1860 64.9276 37.1648 178.0269 26 H 4.2428 8.2662 116.5477 58.9950 28.5728 177.3634 27 E 3.9923 8.5029 120.7022 59.8600 29.3913 179.8059 28 I 3.6954 8.2539 119.7697 64.1277 37.0162 178.0223 29 K 3.8030 8.2568 120.6539 59.8611 31.9555 178.3575 30 I 3.7016 7.6148 119.2256 64.7746 37.0918 177.8410 31 D 4.4789 8.1509 120.6994 56.7852 40.6687 179.1910 32 R 3.9311 8.0282 118.4620 59.3842 29.9693 179.0106 33 I 4.0422 7.2825 110.7845 62.9912 37.6007 177.0271 34 T 4.4887 8.4250 111.9100 60.0025 69.5541 174.1418 35 G 4.2506 7.6409 106.1517 46.9496 0.0000 172.6704 36 N 4.8921 9.2082 123.0510 54.3164 38.9789 175.4087 *38 D 4.5675 9.2568 120.0617 52.2929 42.0121 177.3360 39 K 4.0292 8.1535 121.4414 60.2441 31.9564 177.8786 40 Q 4.0114 8.0967 118.8657 59.1999 28.8563 178.3766 41 K 4.0464 7.9119 119.0790 59.0020 32.1633 179.0632 42 L 4.0940 8.8824 120.7416 57.8332 41.5872 179.8462 43 G 3.6108 8.2495 105.5467 47.5855 0.0000 175.4907 44 K 4.0684 8.4796 122.3666 59.3150 32.2296 178.5019 45 A 3.9985 8.3022 121.1718 55.3245 18.3959 178.6517 46 Y 3.8347 8.2020 118.2831 61.2185 38.7175 178.8171 47 F 4.2197 8.1439 118.2231 60.1035 38.9107 177.6562 48 Q 3.9465 8.1919 119.5967 59.2715 28.8709 178.3925 49 V 3.5100 7.7558 119.2085 66.0462 31.4709 177.9231 50 Q 3.8371 7.6562 117.3553 58.8339 28.5250 178.7744 51 K 3.9798 8.3181 120.8007 59.4559 32.2098 178.9302 52 I 3.8353 7.9432 120.2740 64.3776 37.0348 177.8709 53 E 3.9503 8.5361 120.3272 59.2707 29.2862 178.8717 54 A 4.0576 8.0673 120.7138 55.2110 18.4517 179.3952 55 E 3.8820 8.3400 117.1921 59.6745 29.4591 179.7073 56 L 3.9159 8.4752 119.3093 57.5230 41.6005 179.0104 57 Y 4.0354 8.0720 119.8583 60.7716 38.8260 177.6705 58 Q 3.7494 8.3421 119.3131 58.7607 28.7153 178.6816 59 L 3.7621 7.8979 121.3776 58.2345 41.8811 179.0600 60 I 3.6239 7.5397 118.5522 64.3212 37.1618 178.3324 61 K 3.8829 7.7202 119.2821 59.1649 31.3781 179.2666 62 V 3.5444 7.6924 118.3782 66.4682 31.3119 178.0532 63 S 4.4538 8.0704 111.3717 60.0113 62.5659 174.1502 64 H 4.6843 7.9487 121.4382 55.5724 30.3363 172.9446 65 H 3.9978 7.8800 112.8459 56.9254 28.1971 174.2924 66 H 4.3852 7.8383 119.9150 56.2140 29.6855 173.9294 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 6 L 8.04 4.28 0.00 1.74 1.68 1.11 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.41 3.75 0.00 2.20 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 2.71 2.59 0.00 8 K 9.03 3.94 0.00 1.90 1.85 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.66 7.81 9 E 8.10 4.05 0.00 2.10 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 2.33 2.42 0.00 10 L 8.09 4.11 0.00 1.73 1.50 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.30 4.35 0.00 3.48 3.04 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 12 E 7.97 3.90 0.00 2.26 1.99 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 2.36 2.34 0.00 *14 L 8.01 4.19 0.00 2.00 1.77 0.73 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.19 4.32 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.16 3.97 0.00 2.20 2.00 0.00 0.00 0.00 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 2.36 0.00 17 D 8.00 4.33 0.00 2.86 2.69 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 18 V 8.26 3.60 2.13 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 1.03 0.00 0.00 1.00 0.00 0.00 19 R 8.05 3.87 0.00 2.05 1.96 0.00 3.21 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 20 E 8.13 3.93 0.00 2.24 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 0.00 2.32 2.49 0.00 21 L 7.86 3.96 0.00 2.02 1.77 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.66 3.79 0.00 1.95 1.53 0.93 0.70 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 23 S 7.91 4.08 0.00 4.11 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 24 L 7.92 3.92 0.00 2.01 1.71 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.10 3.72 1.95 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 1.79 0.72 0.93 0.00 0.00 26 H 8.27 4.24 0.00 3.40 3.33 0.00 5.66 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 27 E 8.50 3.99 0.00 2.29 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 2.36 2.40 0.00 28 I 8.25 3.70 2.00 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 1.42 0.98 0.92 0.00 0.00 29 K 8.26 3.80 0.00 1.93 2.01 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 30 I 7.61 3.70 2.02 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 1.78 0.66 0.92 0.00 0.00 31 D 8.15 4.48 0.00 2.95 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 32 R 8.03 3.93 0.00 2.01 1.99 0.00 3.28 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 33 I 7.28 4.04 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 1.58 0.59 1.00 0.00 0.00 34 T 8.43 4.49 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 35 G 7.64 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 0.00 0.00 0.00 0.00 36 N 9.21 4.89 0.00 2.61 2.22 0.00 0.00 7.07 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 D 9.26 4.57 0.00 2.90 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 39 K 8.15 4.03 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 40 Q 8.10 4.01 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 41 K 7.91 4.05 0.00 1.98 1.85 0.00 1.95 0.00 0.00 1.88 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.55 7.81 42 L 8.88 4.09 0.00 1.97 1.73 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.25 3.61 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 0.00 0.00 0.00 44 K 8.48 4.07 0.00 1.96 2.04 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.55 7.81 45 A 8.30 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.20 3.83 0.00 2.93 2.86 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 0.00 0.00 0.00 47 F 8.14 4.22 0.00 3.25 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 48 Q 8.19 3.95 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 49 V 7.76 3.51 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 0.95 0.00 0.00 0.90 0.00 0.00 50 Q 7.66 3.84 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 1.76 2.17 0.00 51 K 8.32 3.98 0.00 1.90 2.06 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.29 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 52 I 7.94 3.84 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 1.40 0.36 0.89 0.00 0.00 53 E 8.54 3.95 0.00 2.08 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 2.29 2.43 0.00 54 A 8.07 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.34 3.88 0.00 2.13 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 2.31 2.49 0.00 56 L 8.48 3.92 0.00 1.87 1.72 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.07 4.04 0.00 3.12 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 58 Q 8.34 3.75 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 59 L 7.90 3.76 0.00 1.64 1.65 0.33 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.54 3.62 1.87 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 0.69 0.83 0.00 0.00 61 K 7.72 3.88 0.00 1.70 1.69 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.02 0.74 7.81 62 V 7.69 3.54 2.23 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 1.04 0.00 0.00 0.92 0.00 0.00 63 S 8.07 4.45 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 64 H 7.95 4.68 0.00 3.17 3.37 0.00 6.10 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.88 4.00 0.00 3.29 3.28 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.84 4.39 0.00 3.28 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.