NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.5326 8.3244 119.0070 56.3994 39.7093 173.7041 2 V 4.1071 8.1171 124.8855 59.5891 32.6180 173.7082 3 N 4.5987 9.4481 126.2019 53.4413 40.1119 173.1299 4 Q 4.7513 8.0118 117.4924 54.0060 31.8901 175.4151 5 H 4.3597 8.6359 116.4177 55.8100 29.2750 175.3248 6 L 4.7683 8.3912 122.6693 53.1017 44.4348 175.7585 7 C 4.9209 8.3535 120.6996 58.8426 32.7061 173.6598 8 G 3.8159 8.4342 112.4005 46.5513 0.0000 177.3928 9 S 4.0704 8.6522 120.1508 61.0288 63.1494 175.9228 10 H 4.2458 8.1145 118.4776 58.1122 28.2656 177.3646 11 L 3.9505 7.7605 122.5183 57.9481 42.0238 179.1622 12 V 3.4064 7.3640 111.5894 63.6307 31.6289 178.3205 13 E 3.9383 8.0329 118.5969 59.3724 29.3334 178.9906 14 A 3.9554 7.8038 120.6399 55.0898 18.2758 179.7224 15 L 3.4930 7.5409 117.3189 58.0606 41.4623 178.4808 16 Y 4.2613 7.4362 119.0953 61.1001 38.3745 177.9138 17 L 3.6764 7.7561 120.1912 58.4285 42.3236 179.2343 18 V 3.6458 7.5279 116.5960 65.3722 31.7669 176.8449 19 C 4.4335 8.3760 116.1169 58.8175 29.5111 175.3406 20 G 3.5658 9.1265 109.6125 46.2761 0.0000 177.3891 21 E 4.0802 8.9059 122.5742 58.6790 29.6244 178.2545 22 R 3.8947 7.7518 118.2752 57.3571 30.3414 177.8753 23 G 3.9075 9.0620 105.7747 45.6229 0.0000 171.5858 24 F 4.7864 7.7868 112.1484 56.2607 40.0615 172.6544 25 F 4.9280 8.1652 115.8155 55.0766 39.6156 174.3635 26 Y 4.8247 8.9225 125.8346 56.4388 38.8529 174.8914 27 T 4.3164 8.0149 119.0119 58.3563 68.6697 172.7794 28 P 4.1023 0.0000 0.0000 65.7615 31.6657 178.6890 29 K 3.9880 7.9061 117.2881 59.6844 32.6239 176.7415 30 T 4.0199 7.4825 120.0812 63.8312 68.2441 173.7327 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 4.53 0.00 2.32 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 0.00 0.00 0.00 2 V 8.12 4.11 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 0.96 0.00 0.00 0.93 0.00 0.00 3 N 9.45 4.60 0.00 2.74 2.75 0.00 0.00 6.99 7.69 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 4 Q 8.01 4.75 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 5 H 8.64 4.36 0.00 3.10 3.24 0.00 5.66 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 8.39 4.77 0.00 1.56 1.53 0.89 0.90 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 7 C 8.35 4.92 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.43 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.07 0.00 3.92 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 H 8.11 4.25 0.00 3.32 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.76 3.95 0.00 1.79 1.76 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.36 3.41 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 0.23 0.00 0.00 0.81 0.00 0.00 13 E 8.03 3.94 0.00 2.11 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 2.27 2.44 0.00 14 A 7.80 3.96 1.32 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 0.00 0.00 0.00 15 L 7.54 3.49 0.00 0.70 0.13 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.44 4.26 0.00 3.23 3.15 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 0.00 17 L 7.76 3.68 0.00 1.97 1.64 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.53 3.65 2.06 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 0.81 0.00 0.00 0.87 0.00 0.00 19 C 8.38 4.43 0.00 3.08 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.08 0.00 2.10 2.10 0.00 0.00 0.00 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 2.33 0.00 22 R 7.75 3.89 0.00 1.89 2.08 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 23 G 9.06 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 0.00 0.00 0.00 24 F 7.79 4.79 0.00 2.88 2.90 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 25 F 8.17 4.93 0.00 3.26 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.82 0.00 3.16 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 27 T 8.01 4.32 4.21 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 1.29 0.00 0.00 28 P 0.00 4.10 0.00 2.09 1.94 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 29 K 7.91 3.99 0.00 1.84 1.96 0.00 1.45 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.49 7.81 30 T 7.48 4.02 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.