NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.3749 8.3231 116.7974 59.2897 64.8616 173.9953 16 G 3.6415 8.5006 107.8706 45.2108 0.0000 172.3727 17 N 4.9527 8.4300 114.9297 53.1285 39.9605 174.4728 18 T 4.6084 7.7008 106.9935 59.9496 71.5445 174.6087 19 G 3.9407 8.5066 114.8380 43.9158 0.0000 170.1912 20 S 4.6139 8.1511 120.8878 56.4914 63.7701 174.9610 21 I 3.6860 8.5386 127.5175 64.5880 36.3746 177.1822 22 I 3.9448 6.8374 120.0611 60.5439 37.9081 179.3562 23 N 4.1922 6.7693 121.0912 53.6494 41.4249 172.9571 24 N 5.0167 8.5082 115.6196 52.3127 41.9101 174.6761 25 Y 3.9018 8.8841 126.5892 60.0178 39.2557 175.1519 26 Y 4.5632 7.6142 115.8330 56.4610 39.8791 175.9597 27 M 4.3655 8.4498 121.4736 55.2226 34.1536 177.4428 28 Q 4.0254 8.7232 121.8077 59.7226 29.0266 178.6552 29 Q 4.0730 8.0709 116.5240 57.7653 28.7921 176.7880 30 Y 4.4290 7.5418 116.4289 59.4488 39.5400 177.1919 31 Q 4.2353 8.3500 119.6387 57.8184 29.4598 175.2533 32 N 5.1478 7.6791 114.4504 50.9206 42.6361 173.8201 33 S 4.4250 8.3325 113.6235 58.1275 64.1184 173.5409 34 M 4.3570 8.2750 122.2205 54.4787 32.7892 176.0553 35 D 4.6779 8.4939 123.7331 53.9464 42.0469 175.5732 36 T 4.7505 8.1350 110.8497 59.9413 71.8808 172.8554 37 Q 4.6955 8.3248 119.6282 54.0533 32.4693 174.7816 38 L 4.5538 8.5503 119.3619 54.3922 44.1626 177.7236 39 G 3.8646 8.7285 114.7934 46.8990 0.0000 173.6705 *40 D 4.4389 7.4123 116.9910 53.2113 42.5146 177.3461 *65 N 4.5935 8.1415 118.0290 53.9908 40.0839 175.7078 66 D 4.8688 7.5905 118.9664 51.5740 41.6272 175.3083 67 W 4.4235 8.9472 134.4870 60.6078 30.6601 177.2531 68 F 3.9905 8.3626 116.5097 59.9687 38.3007 177.6750 69 S 4.0651 8.2486 113.0027 61.2333 62.2816 176.2243 70 K 3.7833 7.8178 121.1600 59.2449 31.5463 178.9269 71 L 3.3986 7.3281 119.2047 57.8989 42.1717 178.5264 72 A 4.0797 8.0137 120.7636 55.3580 18.1413 179.1457 73 Q 3.9134 8.0912 117.2560 59.4139 29.1131 178.3825 74 S 4.2798 7.7484 112.2143 58.4064 63.8044 174.4532 75 A 4.0851 7.2479 126.2220 52.2310 18.7263 176.9207 76 F 4.6007 8.7254 124.1152 58.2172 39.9926 175.2265 77 S 4.4304 8.2417 120.3256 57.6444 64.4819 174.8345 78 G 3.8219 5.6663 113.0660 45.3845 0.0000 173.9132 79 L 4.6360 8.3354 124.9936 53.1456 44.7591 176.1154 80 V 3.9696 8.6903 126.2443 63.1883 32.3783 175.6388 81 G 3.7795 8.9494 112.9994 44.4473 0.0000 171.7092 82 A 4.6274 8.0805 120.4658 50.4927 20.6551 176.4982 83 L 4.6630 8.1488 122.3464 53.4193 43.9757 175.6307 84 L 4.5674 7.6991 123.7636 54.0948 45.2412 176.0320 85 A 4.0688 8.7257 126.7225 52.8240 18.5930 177.0534 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 15 S 8.32 4.37 0.00 3.89 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 16 G 8.50 3.64 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 0.00 0.00 0.00 17 N 8.43 4.95 0.00 2.68 2.77 0.00 0.00 6.57 7.70 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 18 T 7.70 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 G 8.51 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 0.00 0.00 0.00 20 S 8.15 4.61 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.54 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.92 0.00 0.00 22 I 6.84 3.94 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.93 0.00 0.00 23 N 6.77 4.19 0.00 2.86 2.81 0.00 0.00 5.68 8.04 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 24 N 8.51 5.02 0.00 2.69 2.73 0.00 0.00 6.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.88 3.90 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.61 4.56 0.00 3.07 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 27 M 8.45 4.37 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 28 Q 8.72 4.03 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 29 Q 8.07 4.07 0.00 1.67 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 30 Y 7.54 4.43 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.24 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 32 N 7.68 5.15 0.00 2.71 2.68 0.00 0.00 7.11 7.71 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 33 S 8.33 4.43 0.00 3.96 3.85 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 34 M 8.27 4.36 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 35 D 8.49 4.68 0.00 2.67 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 36 T 8.13 4.75 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 1.20 0.00 0.00 37 Q 8.32 4.70 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 38 L 8.55 4.55 0.00 1.58 1.56 0.92 1.00 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 39 G 8.73 3.86 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 0.00 0.00 0.00 *40 D 7.41 4.44 0.00 2.46 2.49 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 0.00 0.00 0.00 *65 N 8.14 4.59 0.00 2.74 2.90 0.00 0.00 6.99 8.47 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 66 D 7.59 4.87 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.95 4.42 0.00 3.36 3.06 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 0.00 0.00 0.00 68 F 8.36 3.99 0.00 3.20 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 69 S 8.25 4.07 0.00 4.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.82 3.78 0.00 1.66 1.56 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.53 7.81 71 L 7.33 3.40 0.00 0.48 1.38 0.61 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.01 4.08 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 73 Q 8.09 3.91 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 74 S 7.75 4.28 0.00 4.03 3.93 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 75 A 7.25 4.09 1.30 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 0.00 0.00 0.00 76 F 8.73 4.60 0.00 2.88 3.01 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 77 S 8.24 4.43 0.00 3.81 3.74 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 78 G 5.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.34 4.64 0.00 1.52 1.54 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.69 3.97 2.17 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 0.84 0.00 0.00 1.04 0.00 0.00 81 G 8.95 3.78 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 0.00 0.00 0.00 82 A 8.08 4.63 1.25 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 83 L 8.15 4.66 0.00 1.60 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.70 4.57 0.00 1.56 1.45 0.92 1.02 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 85 A 8.73 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.