NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3763 8.2027 119.6431 55.5698 30.9624 173.6520 2 V 4.0343 8.3749 123.3267 62.6770 32.1777 173.7172 3 Q 4.7381 10.2272 127.6068 54.1644 33.7046 173.6505 4 L 5.2195 8.5619 121.6275 52.9754 45.3532 176.0128 5 V 4.3703 8.8326 123.2922 61.2638 34.2249 174.5322 6 E 5.7101 9.0855 127.2136 55.2504 31.6726 175.0036 7 S 4.4832 8.6141 114.7188 58.1734 65.9557 175.3265 8 G 4.0354 9.2579 107.9190 45.2993 0.0000 174.4579 9 G 3.8119 7.8511 107.8756 44.7547 0.0000 173.8356 10 G 3.8421 7.5976 105.5552 45.7621 0.0000 171.2117 11 L 4.4552 8.2173 121.4511 53.8428 43.0830 177.1813 12 V 4.4730 7.9453 124.0379 59.7507 34.4669 174.9468 13 Q 4.1341 8.6136 122.2328 55.2832 29.2854 174.5064 14 P 4.3868 0.0000 0.0000 63.9132 31.8516 177.3861 15 G 3.8623 8.7937 108.6085 45.7730 0.0000 174.0909 16 G 4.0080 7.4207 108.3249 44.3696 0.0000 173.2095 17 S 4.7590 8.1248 113.4454 56.8359 66.5858 173.3365 18 L 4.4733 8.0394 122.4986 53.7955 44.7712 174.5453 19 R 4.4460 8.4191 124.7407 54.3983 31.9246 174.6997 20 L 4.9027 8.1133 125.2127 53.3690 43.5772 175.9757 21 S 5.0069 8.9121 116.4763 56.9091 66.7916 172.5863 22 C 5.3789 8.8802 120.4615 55.0414 46.3359 172.4285 23 A 4.4611 8.9019 129.3568 51.4702 19.3193 176.3832 24 T 5.6846 8.0740 112.2356 59.4379 72.1881 173.0018 25 S 4.2102 8.5677 114.0997 58.5264 65.7339 176.3287 26 G 4.1916 10.7796 108.1716 46.1908 0.0000 172.8584 27 F 4.7120 6.9187 111.3124 56.0748 40.1094 174.5732 28 T 4.1236 8.4846 118.6331 63.2602 67.2116 175.0372 29 F 4.2594 8.8620 129.2188 61.5185 39.5996 177.7429 30 T 3.9355 8.1329 109.4614 64.1262 68.5507 175.3709 31 D 4.4336 7.9913 120.8653 56.0306 41.1677 175.6520 32 Y 4.9194 7.6055 115.8367 56.0626 40.8016 175.4284 33 Y 4.6124 8.7386 119.3356 58.2824 39.3225 174.8776 34 M 4.9302 8.9910 121.1386 53.7875 35.8281 174.9282 35 S 5.4961 8.7520 117.6018 56.5764 67.0703 173.2094 36 W 4.8128 8.8452 120.6489 54.9717 32.1469 175.0009 37 V 5.0397 8.6917 123.3328 61.0918 34.3868 174.3275 38 R 4.8827 9.2664 122.2346 54.6335 33.5499 174.2789 39 Q 4.6458 8.3989 120.4049 54.2824 31.3912 172.6394 40 P 4.4980 0.0000 0.0000 61.2005 32.2994 174.3987 41 P 4.3507 0.0000 0.0000 64.5028 31.5209 176.9117 42 G 3.8950 8.9864 109.6901 45.7899 0.0000 172.4293 43 K 4.6303 7.8655 117.9033 53.7653 35.5159 175.4896 44 A 4.3310 8.2323 122.0096 51.6885 19.0602 177.3796 45 L 4.3904 8.3297 120.1306 55.1310 42.7640 176.4875 46 E 4.7123 9.5728 123.4346 53.8857 32.6663 174.5621 47 W 4.5416 9.2129 135.0000 57.8569 30.8916 175.2428 48 L 4.2479 9.1531 126.4082 53.6451 43.5311 176.9796 49 G 2.7582 5.3800 106.2846 44.2947 0.0000 170.1187 50 F 5.6372 7.3886 113.6710 55.3335 41.6351 173.6249 51 I 4.7364 8.8396 119.2366 59.2956 40.8361 175.5922 52 R 3.0119 8.3246 128.1277 55.3657 32.0682 174.4715 *521 N 4.7642 8.2097 115.9364 52.6890 38.3623 173.8199 522 K 3.9209 8.4450 118.2930 59.6150 32.3141 176.6629 523 A 4.1726 7.4564 124.6639 52.4091 18.1845 176.8378 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 1 Q 8.20 4.38 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 2 V 8.37 4.03 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 0.52 0.00 0.00 0.88 0.00 0.00 3 Q 10.23 4.74 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 4 L 8.56 5.22 0.00 1.43 1.51 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.83 4.37 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 0.99 0.00 0.00 0.94 0.00 0.00 6 E 9.09 5.71 0.00 1.98 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 2.29 2.16 0.00 7 S 8.61 4.48 0.00 3.87 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 8 G 9.26 4.04 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 0.00 0.00 0.00 9 G 7.85 3.81 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 0.00 0.00 0.00 10 G 7.60 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 11 L 8.22 4.46 0.00 1.59 1.56 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.95 4.47 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 0.77 0.00 0.00 0.96 0.00 0.00 13 Q 8.61 4.13 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 14 P 0.00 4.39 0.00 2.03 1.97 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 15 G 8.79 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 16 G 7.42 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 0.00 0.00 0.00 17 S 8.12 4.76 0.00 3.78 3.68 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 18 L 8.04 4.47 0.00 1.48 1.40 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.42 4.45 0.00 1.72 1.74 0.00 3.27 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 20 L 8.11 4.90 0.00 0.98 1.45 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.91 5.01 0.00 3.94 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 22 C 8.88 5.38 0.00 3.00 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 23 A 8.90 4.46 1.22 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 0.00 0.00 24 T 8.07 5.68 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 S 8.57 4.21 0.00 3.81 3.87 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 26 G 10.78 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 0.00 0.00 0.00 0.00 27 F 6.92 4.71 0.00 3.16 2.92 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 28 T 8.48 4.12 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 29 F 8.86 4.26 0.00 2.75 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 30 T 8.13 3.94 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 1.32 0.00 0.00 31 D 7.99 4.43 0.00 3.02 2.30 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 32 Y 7.61 4.92 0.00 2.88 2.82 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 33 Y 8.74 4.61 0.00 2.53 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 34 M 8.99 4.93 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 35 S 8.75 5.50 0.00 3.84 4.07 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 36 W 8.85 4.81 0.00 3.12 2.98 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 37 V 8.69 5.04 2.16 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 1.00 0.00 0.00 1.09 0.00 0.00 38 R 9.27 4.88 0.00 1.86 2.01 0.00 2.80 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 39 Q 8.40 4.65 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 40 P 0.00 4.50 0.00 2.23 1.95 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 41 P 0.00 4.35 0.00 2.04 2.03 0.00 3.79 0.00 0.00 3.67 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 42 G 8.99 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 43 K 7.87 4.63 0.00 1.84 1.74 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.50 7.81 44 A 8.23 4.33 1.26 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 0.00 0.00 0.00 45 L 8.33 4.39 0.00 1.60 1.69 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.57 4.71 0.00 2.00 1.80 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 2.27 2.30 0.00 47 W 9.21 4.54 0.00 3.37 3.20 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 0.00 48 L 9.15 4.25 0.00 1.52 1.45 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.38 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 0.00 0.00 0.00 50 F 7.39 5.64 0.00 3.20 3.38 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 0.00 0.00 0.00 51 I 8.84 4.74 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.50 1.07 0.00 0.00 52 R 8.32 3.01 0.00 1.50 1.19 0.00 3.13 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.40 0.00 *521 N 8.21 4.76 0.00 3.07 3.03 0.00 0.00 6.33 7.13 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 0.00 522 K 8.44 3.92 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 523 A 7.46 4.17 1.20 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.