NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7415 8.3249 122.8242 58.4067 40.7709 173.9878 2 V 3.9411 5.4500 116.0959 59.5894 32.1442 177.0095 3 N 4.2965 8.6074 122.2924 55.8439 38.1555 175.9465 4 Q 4.0462 8.0301 120.2390 59.0240 28.8577 177.9295 5 H 4.1288 8.1089 118.7151 59.2845 29.8563 177.1987 6 L 3.9247 7.7030 120.3468 57.8303 41.3820 178.8683 7 C 4.1915 8.6484 119.1965 62.6651 31.4922 175.9261 8 G 3.6844 8.4647 107.4922 47.8056 0.0000 175.5809 9 S 3.9592 7.8288 114.8650 61.5784 62.3512 176.0574 10 H 4.1275 7.9795 119.0606 58.5635 28.3132 177.7241 11 L 3.9570 8.2474 121.2334 58.0621 41.4450 180.0000 12 V 3.3701 7.6293 112.1437 64.2400 31.4760 178.2834 13 E 3.8994 7.9275 119.0168 59.2205 29.4057 178.8192 14 A 4.0179 8.1934 120.9547 54.9673 18.4859 179.4973 15 L 3.6349 7.9773 117.8965 57.8480 41.6524 178.9207 16 Y 4.1937 7.8770 119.5511 61.0325 38.5144 178.5072 17 L 3.9081 7.6011 117.7239 57.5827 41.7583 179.4313 18 V 3.6836 7.7187 117.6748 66.2336 31.7507 177.6338 19 C 4.2837 8.6344 116.9888 61.0262 28.0707 174.5999 20 G 3.7678 8.3164 109.2780 46.3371 0.0000 176.4527 21 E 4.1381 8.7398 120.8183 58.2935 30.0343 178.4844 22 R 3.8563 7.6629 118.7836 57.4928 30.2521 177.9015 23 G 3.9178 8.7039 104.6912 45.4074 0.0000 172.0133 24 F 4.8463 7.6343 110.2363 56.1658 39.9043 173.0258 25 F 4.4797 8.9907 120.9869 56.0621 40.3125 174.8468 26 Y 4.7609 8.8010 125.7255 56.2048 40.5612 175.0966 27 T 4.4116 7.7841 123.9333 61.0068 70.0197 172.9920 28 P 4.0917 0.0000 0.0000 64.2977 31.7919 177.8447 *29 K 4.0625 7.2589 123.6245 55.0553 31.4955 181.7628 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 4.74 0.00 3.01 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 2 V 5.45 3.94 1.85 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 0.72 0.00 0.00 0.36 0.00 0.00 3 N 8.61 4.30 0.00 3.16 3.49 0.00 0.00 6.14 7.44 0.00 0.00 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 8.03 4.05 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 H 8.11 4.13 0.00 3.21 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.70 3.92 0.00 1.89 1.74 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.65 4.19 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 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 0.00 0.00 0.00 9 S 7.83 3.96 0.00 3.75 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 10 H 7.98 4.13 0.00 3.30 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.25 3.96 0.00 1.94 1.75 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.63 3.37 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 0.10 0.00 0.00 0.83 0.00 0.00 13 E 7.93 3.90 0.00 1.92 2.12 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 2.32 2.33 0.00 14 A 8.19 4.02 1.33 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 0.00 0.00 15 L 7.98 3.63 0.00 1.00 0.37 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.88 4.19 0.00 3.28 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.91 0.00 1.68 1.71 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.72 3.68 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 0.80 0.00 0.00 0.93 0.00 0.00 19 C 8.63 4.28 0.00 3.16 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 20 G 8.32 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.14 0.00 2.08 2.07 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 2.25 2.32 0.00 22 R 7.66 3.86 0.00 1.98 2.08 0.00 3.24 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 23 G 8.70 3.92 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 0.00 0.00 0.00 24 F 7.63 4.85 0.00 3.22 3.04 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 25 F 8.99 4.48 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 26 Y 8.80 4.76 0.00 3.24 3.04 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 27 T 7.78 4.41 4.15 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 0.00 0.00 1.17 0.00 0.00 28 P 0.00 4.09 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 *29 K 7.26 4.06 0.00 1.86 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.30 7.81 * Residues marked with a * may have inaccurate shift predictions.