NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5739 8.4549 118.0370 57.1078 39.7029 172.2625 2 Y 4.8179 8.5332 117.1981 56.3844 42.7068 172.0770 3 C 5.6513 9.7207 119.8934 55.6842 42.4382 173.3795 4 R 5.3046 9.5498 122.2318 54.6218 34.4690 174.3274 5 I 4.9041 8.5158 121.5503 59.1967 39.9129 173.8810 6 P 4.3833 0.0000 0.0000 63.9386 32.0702 175.1768 7 A 4.5398 7.3725 119.6342 51.1498 21.8034 176.2258 8 C 4.5530 8.6313 117.3488 57.1397 35.2492 173.5398 9 I 4.3087 8.2294 115.1927 58.6233 39.6307 174.7421 10 A 4.0876 8.2484 122.9171 53.9956 18.3861 178.1795 11 G 4.0216 9.1275 109.6442 45.2404 0.0000 173.0220 12 E 5.0165 7.6933 117.4213 54.5309 33.0089 174.9934 13 R 4.7625 8.5693 118.6317 54.2091 35.0791 174.3971 14 R 4.5381 8.3755 121.2581 56.6754 30.0578 175.4265 15 Y 4.3691 9.1955 123.4562 58.7945 40.3773 176.0882 *17 T 4.5405 7.7899 113.8607 63.6809 69.9981 173.9290 18 C 5.1924 9.2681 120.1837 55.3106 44.3393 173.0617 19 I 5.2082 8.1688 121.4601 59.9573 39.4014 174.8141 20 Y 4.7591 9.5451 126.5419 57.9673 42.1189 174.2786 21 Q 3.3899 9.3953 125.8380 57.1178 26.2960 174.6574 22 G 3.9741 8.7249 102.7600 45.7434 0.0000 173.7747 23 R 4.7156 7.9864 117.2619 54.1550 34.1828 173.7465 24 L 5.3751 8.2017 119.0826 53.5740 43.2304 176.2271 25 W 5.0749 9.3731 121.9089 54.5039 33.6934 174.4812 26 A 4.5556 9.1378 124.8708 51.9998 19.4580 176.4401 27 F 5.2024 9.0554 125.1163 57.4679 40.9338 174.9261 28 C 5.4959 9.1379 124.4878 55.3002 44.8055 173.8110 29 C 4.4316 9.2002 120.1172 57.0917 42.0248 173.9665 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 C 8.45 4.57 0.00 2.68 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 2 Y 8.53 4.82 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.72 5.65 0.00 2.59 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 4 R 9.55 5.30 0.00 1.85 1.95 0.00 3.24 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 5 I 8.52 4.90 1.50 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.05 0.69 0.00 0.00 6 P 0.00 4.38 0.00 2.16 2.13 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 7 A 7.37 4.54 1.24 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 0.00 0.00 8 C 8.63 4.55 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 9 I 8.23 4.31 1.88 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 1.42 0.81 0.93 0.00 0.00 10 A 8.25 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.13 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.69 5.02 0.00 2.11 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 0.00 2.27 2.28 0.00 13 R 8.57 4.76 0.00 1.56 1.59 0.00 3.08 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 14 R 8.38 4.54 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 15 Y 9.20 4.37 0.00 2.82 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 *17 T 7.79 4.54 4.31 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 1.34 0.00 0.00 18 C 9.27 5.19 0.00 2.93 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 19 I 8.17 5.21 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 1.00 0.00 0.00 20 Y 9.55 4.76 0.00 2.75 2.38 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 21 Q 9.40 3.39 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.00 22 G 8.72 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 0.00 0.00 0.00 23 R 7.99 4.72 0.00 1.81 1.48 0.00 2.85 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 24 L 8.20 5.38 0.00 1.52 1.64 0.94 0.92 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 25 W 9.37 5.07 0.00 3.30 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.14 4.56 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 5.20 0.00 3.12 3.11 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 28 C 9.14 5.50 0.00 2.98 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 29 C 9.20 4.43 0.00 2.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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.