NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3463 8.1329 112.9183 60.2804 69.8133 174.9026 4 L 3.9642 8.5990 132.2133 58.3562 40.8834 174.9182 5 L 4.3382 8.1891 124.2097 60.0041 41.3965 181.6490 6 Q 4.2980 8.0509 123.4415 60.7705 27.9815 181.3277 7 L 4.3186 8.3455 127.3241 59.8634 40.9584 181.8265 8 L 4.2977 8.4757 126.1698 60.0670 40.7187 182.2393 9 S 4.4459 8.6244 122.2178 63.9086 62.1007 179.2528 10 N 4.6149 8.1173 124.6948 58.2792 37.2620 179.8501 *11 Y 4.2465 7.7092 125.5803 62.7377 36.9075 180.7487 *12 Y 4.2535 7.9319 125.2597 62.3593 36.9125 181.1272 13 K 4.1783 8.3401 125.7510 59.5785 31.8044 181.0918 14 A 4.2488 8.3176 124.7312 55.5654 18.4012 180.5514 15 K 4.0342 8.4271 124.8102 60.4957 31.7773 181.9244 16 L 4.3069 8.2197 126.2377 60.0152 40.7240 181.7580 17 D 4.6593 8.4662 124.6599 59.0164 39.7007 181.3580 18 S 4.4103 8.2636 122.7980 63.9028 62.1586 179.0309 19 E 4.2579 8.1941 124.1256 61.6479 29.4003 182.0978 20 R 4.2081 8.1425 124.1858 61.9499 29.4515 181.6383 21 I 4.0014 8.2398 123.7372 65.7813 35.3663 180.5484 *22 Y 4.2728 8.1787 125.1818 62.5470 36.6014 180.8501 23 N 4.6276 8.4956 123.9552 57.9470 37.5913 179.5668 24 E 4.2346 8.5234 123.2214 62.0479 29.8934 181.4179 *25 Y 4.2683 8.2179 124.1314 62.4085 36.7947 181.8634 26 V 3.8714 8.1675 123.5106 66.8736 31.7370 181.6277 27 Q 4.2829 8.4422 124.4084 60.6764 27.8848 181.3931 28 S 4.4106 8.4989 123.4327 63.8731 62.2757 179.2006 29 Q 4.2818 8.7857 127.3121 60.8878 27.6176 180.8710 *30 Y 4.2534 8.0219 124.3999 62.5025 36.9724 180.5858 31 E 4.4083 8.3298 121.9407 61.6152 29.8905 181.5169 *32 F 4.3793 8.1143 120.5943 61.5023 38.1606 177.6000 33 A 4.4915 7.9283 124.8181 52.4027 18.3405 177.0531 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 3 T 8.13 4.35 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 4 L 8.60 3.96 0.00 1.72 1.71 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.19 4.34 0.00 1.64 1.71 0.92 0.88 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 6 Q 8.05 4.30 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 7 L 8.35 4.32 0.00 1.63 1.71 0.92 0.93 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 8 L 8.48 4.30 0.00 1.60 1.71 0.92 0.83 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 9 S 8.62 4.45 0.00 3.68 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.61 0.00 2.75 2.86 0.00 0.00 7.13 7.19 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 *11 Y 7.71 4.25 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.93 4.25 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.34 4.18 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 14 A 8.32 4.25 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 15 K 8.43 4.03 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 16 L 8.22 4.31 0.00 1.64 1.71 0.92 1.01 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 17 D 8.47 4.66 0.00 2.68 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 18 S 8.26 4.41 0.00 3.74 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 19 E 8.19 4.26 0.00 2.01 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 2.24 2.20 0.00 20 R 8.14 4.21 0.00 1.83 1.97 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 21 I 8.24 4.00 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 1.38 0.54 0.91 0.00 0.00 *22 Y 8.18 4.27 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.63 0.00 2.72 2.86 0.00 0.00 7.17 7.72 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 24 E 8.52 4.23 0.00 1.96 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 2.25 2.20 0.00 *25 Y 8.22 4.27 0.00 2.32 2.35 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 0.00 26 V 8.17 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 27 Q 8.44 4.28 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 28 S 8.50 4.41 0.00 3.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.79 4.28 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 *30 Y 8.02 4.25 0.00 2.40 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 0.00 0.00 0.00 0.00 31 E 8.33 4.41 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 *32 F 8.11 4.38 0.00 2.37 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 0.00 0.00 0.00 0.00 33 A 7.93 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.