NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8115 8.3244 122.8209 57.7483 41.7165 174.3972 2 V 2.7031 7.5767 120.0683 61.4994 32.3492 175.8518 3 N 4.4678 8.3608 128.4326 51.6875 37.1376 175.0273 4 Q 4.3709 7.5653 119.0721 55.3486 30.0341 173.6719 5 H 4.9579 8.6830 121.6414 53.6288 30.4510 174.0321 6 L 4.3862 7.9017 121.5926 54.7759 42.9776 173.5760 7 C 4.7699 8.1103 114.2601 56.7012 33.3095 174.5559 8 G 3.8361 8.5080 107.9910 46.0770 0.0000 175.5673 9 S 4.3126 8.9537 115.4703 61.5387 62.8842 175.6212 10 D 4.3884 7.9531 120.3845 56.9319 41.0107 177.6354 11 L 4.3164 8.8408 118.8237 55.1763 40.4988 178.9400 *13 E 4.2448 8.0702 117.7407 56.2051 31.7761 177.8495 14 A 4.2238 7.8693 119.4976 55.5659 18.3787 179.6413 15 L 3.5977 7.7838 117.2281 58.1975 41.3447 179.5412 16 Y 3.8693 7.1253 114.6819 60.4524 37.9765 177.4363 17 L 4.3466 8.9916 118.3215 55.8266 42.1344 178.9411 18 V 3.8063 8.1323 119.0548 66.1539 31.7594 175.5858 19 C 4.6798 8.2829 112.3283 54.7874 30.8013 175.8965 20 G 4.2941 8.7509 110.8447 44.9426 0.0000 174.9371 21 E 4.1048 9.2723 122.4734 58.6614 30.8764 179.3905 22 R 3.9495 8.0012 118.4539 57.6961 30.3860 177.7691 23 G 4.0051 8.7448 104.3304 45.4585 0.0000 173.0302 24 F 4.6627 7.5099 116.4449 54.8961 40.5645 173.5166 25 F 4.6128 7.9824 120.6649 55.2012 39.0605 174.7668 26 Y 4.7550 8.4622 127.0249 55.6963 38.3144 174.8478 27 T 3.7678 8.3504 121.0088 62.1621 68.2240 170.4924 28 K 3.5778 8.3195 131.8739 55.1918 30.8703 173.2881 29 P 4.3434 0.0000 0.0000 63.8508 32.2214 176.2263 30 T 4.2305 7.4693 119.1245 61.5039 67.3767 173.7887 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 F 8.32 4.81 0.00 2.94 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 2 V 7.58 2.70 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 0.79 0.00 0.00 0.97 0.00 0.00 3 N 8.36 4.47 0.00 2.76 2.72 0.00 0.00 5.98 7.28 0.00 0.00 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 Q 7.57 4.37 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 5 H 8.68 4.96 0.00 3.29 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.90 4.39 0.00 1.63 1.83 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.11 4.77 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 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 9 S 8.95 4.31 0.00 3.96 4.06 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 10 D 7.95 4.39 0.00 2.75 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 11 L 8.84 4.32 0.00 1.54 1.15 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 *13 E 8.07 4.24 0.00 2.20 1.92 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 2.25 2.28 0.00 14 A 7.87 4.22 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 3.60 0.00 0.70 0.41 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.13 3.87 0.00 2.89 2.87 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 17 L 8.99 4.35 0.00 1.67 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.13 3.81 2.20 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 0.75 0.00 0.00 0.86 0.00 0.00 19 C 8.28 4.68 0.00 2.98 2.80 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 0.00 0.00 0.00 20 G 8.75 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.27 4.10 0.00 2.12 2.15 0.00 0.00 0.00 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 2.37 0.00 22 R 8.00 3.95 0.00 1.86 2.08 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 23 G 8.74 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 24 F 7.51 4.66 0.00 2.86 2.85 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 25 F 7.98 4.61 0.00 3.17 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 26 Y 8.46 4.76 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 3.77 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 1.31 0.00 0.00 28 K 8.32 3.58 0.00 1.81 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.36 7.81 29 P 0.00 4.34 0.00 2.19 2.00 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 30 T 7.47 4.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.