NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5945 8.2233 120.1917 54.3433 42.8353 176.5547 2 T 3.6955 8.3064 122.5345 66.2253 68.5171 174.9133 3 L 3.9853 8.9829 121.6326 57.9594 42.1871 178.8486 4 D 4.3943 7.9765 118.3388 57.4019 40.7044 178.5401 5 E 3.9892 8.9280 119.4782 59.3454 29.3747 179.2786 6 A 4.0188 8.1278 120.8779 55.1445 18.3706 179.3440 7 E 4.0519 8.2937 117.9588 59.2349 29.6707 179.1252 8 R 3.9307 8.0439 119.0033 59.4887 29.9934 178.4727 9 Q 4.0277 8.2311 116.9855 58.6943 29.1294 178.1336 10 W 4.4566 8.6128 129.6673 60.8630 30.7255 178.1419 11 K 3.4298 8.5435 118.0071 59.1835 31.2932 179.1854 12 A 4.1087 7.9773 119.8884 54.5169 18.0804 178.6679 13 E 4.1754 7.9684 115.9597 57.7205 29.6903 178.5059 14 F 4.1698 7.9986 121.7928 61.2626 39.5320 176.3409 15 H 3.6108 8.1174 117.5087 58.9997 29.5717 177.0059 16 R 3.3884 7.6129 119.7714 58.9239 29.7813 177.8339 17 W 3.8390 7.1711 125.8844 60.6731 30.7817 177.2895 18 S 3.7656 7.7400 111.6961 61.2629 61.8890 175.9337 19 S 4.1315 7.2994 115.1221 61.3237 62.1574 177.8564 20 Y 4.6107 7.5094 120.3180 57.6104 37.6100 178.9995 *22 V 4.0233 7.7907 120.1582 62.2110 33.5052 176.8484 23 H 4.0121 8.6988 117.4024 58.8300 28.8160 176.7600 24 W 4.0854 8.8257 130.1716 59.6145 30.3504 177.6840 25 K 3.7029 8.2414 118.6339 59.8237 31.9614 178.1155 26 N 4.1252 8.1436 116.4636 56.4904 38.6391 176.9725 27 Q 4.0183 8.3804 120.3300 58.0242 29.1085 177.9015 28 F 3.8901 7.6880 122.3446 61.4103 39.2667 176.8788 29 D 4.2231 7.7199 119.3257 57.2068 40.5255 178.4052 30 H 4.2603 8.0838 115.3110 58.4490 28.8967 176.9663 31 Y 4.0212 7.6111 117.6771 60.0527 37.6384 177.5807 32 S 3.8878 7.6737 115.4257 61.6861 62.4981 176.8194 33 K 3.8878 7.4830 123.6366 59.4590 31.9433 177.6015 34 Q 4.1201 7.7242 120.3754 55.1582 28.0185 177.4357 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 D 8.22 4.59 0.00 2.77 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 2 T 8.31 3.70 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 3 L 8.98 3.99 0.00 1.76 1.69 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.98 4.39 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.93 3.99 0.00 2.17 2.01 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 2.34 2.48 0.00 6 A 8.13 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.29 4.05 0.00 2.10 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 0.00 2.50 2.42 0.00 8 R 8.04 3.93 0.00 2.09 2.09 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 9 Q 8.23 4.03 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 10 W 8.61 4.46 0.00 3.45 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 3.43 0.00 1.81 1.72 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.96 7.81 12 A 7.98 4.11 1.38 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 0.00 0.00 13 E 7.97 4.18 0.00 2.12 1.96 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 2.50 2.47 0.00 14 F 8.00 4.17 0.00 2.82 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 15 H 8.12 3.61 0.00 3.23 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.61 3.39 0.00 1.72 1.84 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.98 0.00 17 W 7.17 3.84 0.00 3.21 3.26 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 18 S 7.74 3.77 0.00 3.20 3.23 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 0.00 19 S 7.30 4.13 0.00 3.72 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 20 Y 7.51 4.61 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 4.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 23 H 8.70 4.01 0.00 3.34 3.50 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.83 4.09 0.00 3.44 3.16 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 0.00 0.00 0.00 0.00 25 K 8.24 3.70 0.00 2.08 2.00 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.67 7.81 26 N 8.14 4.13 0.00 2.88 2.69 0.00 0.00 6.76 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 27 Q 8.38 4.02 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 28 F 7.69 3.89 0.00 1.72 2.78 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 29 D 7.72 4.22 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.08 4.26 0.00 3.13 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.61 4.02 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 3.89 0.00 3.66 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 33 K 7.48 3.89 0.00 1.61 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.55 7.81 34 Q 7.72 4.12 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.