NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.5822 8.3093 119.3980 57.6913 40.3698 173.6751 3 T 4.5699 8.2953 111.9354 58.4814 71.4799 172.4642 4 N 4.9825 8.4176 117.9517 51.9035 38.2554 174.2375 5 V 4.2651 7.4046 119.3798 62.1416 34.4979 173.1407 6 S 5.0753 8.3680 112.9565 55.9071 64.7736 173.7584 7 C 5.0817 8.4511 122.9238 55.1670 46.8975 172.5521 8 T 4.4270 8.9063 112.8877 62.8619 69.9933 174.0828 9 T 4.5946 7.7117 112.7252 59.2247 70.7402 174.4512 10 S 4.9728 8.3203 121.5602 55.4440 61.8900 171.5032 11 K 2.9177 7.6791 129.9194 57.5641 37.1023 175.5854 12 E 3.8111 7.8282 115.7958 57.7043 28.9686 177.3700 *14 W 4.7568 7.9201 117.8249 56.5982 31.2898 176.5040 15 S 4.5770 8.0998 112.0718 58.9153 62.7359 175.4935 16 V 3.9551 7.5326 122.2097 65.5421 31.8120 178.1325 17 C 4.4464 8.0702 115.4865 59.1427 39.7828 175.5477 18 Q 4.1022 7.2119 117.5571 59.0206 29.0559 177.7858 19 R 4.0641 7.4098 116.3017 58.2489 30.1039 178.3778 20 L 4.1576 7.3396 118.1981 55.4689 42.8175 176.5623 21 H 4.5972 8.0207 110.0885 55.1703 28.4458 176.3150 22 N 4.7402 8.6084 119.2564 53.4677 37.8257 171.8989 23 T 4.6264 7.9364 112.9134 62.1058 71.3557 173.4523 24 S 4.4443 8.2357 114.5426 58.3460 64.9513 173.6921 25 R 3.9805 7.0013 120.7150 54.4213 32.0036 175.4874 26 G 3.9306 7.5116 107.2607 45.4131 0.0000 172.2257 27 K 5.2475 9.0371 123.9985 54.9983 35.8927 173.2492 28 C 5.2606 8.8964 117.6096 52.8447 45.2377 175.2552 29 M 4.4985 8.3649 119.2215 55.6020 30.2798 176.5951 30 N 4.6342 9.1064 111.6599 54.8449 37.8445 175.8607 31 K 4.8340 7.8025 113.2593 55.5737 36.5070 174.9277 32 K 4.7795 7.4030 121.1292 55.0754 33.4720 174.8934 *34 R 4.3047 8.3499 118.9989 56.3658 30.9426 174.7910 35 C 4.7787 7.8253 117.8545 55.4137 47.0754 173.3269 36 Y 4.8034 7.8372 120.8836 56.8803 38.6123 175.3977 37 S 4.2340 7.7155 117.4190 58.4408 62.5104 173.4018 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 2 F 8.31 4.58 0.00 3.10 3.02 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 3 T 8.30 4.57 4.26 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 1.22 0.00 0.00 4 N 8.42 4.98 0.00 2.79 2.84 0.00 0.00 5.94 7.68 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 5 V 7.40 4.27 2.11 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 1.00 0.00 0.00 0.95 0.00 0.00 6 S 8.37 5.08 0.00 3.99 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 7 C 8.45 5.08 0.00 2.94 2.97 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 8 T 8.91 4.43 4.26 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 1.23 0.00 0.00 9 T 7.71 4.59 4.22 0.00 0.00 0.00 0.00 0.00 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 10 S 8.32 4.97 0.00 4.30 4.12 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 11 K 7.68 2.92 0.00 1.29 1.53 0.00 1.52 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.80 0.46 7.81 12 E 7.83 3.81 0.00 2.10 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 0.00 2.36 2.32 0.00 *14 W 7.92 4.76 0.00 3.61 3.28 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 0.00 0.00 0.00 0.00 15 S 8.10 4.58 0.00 4.09 4.16 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 16 V 7.53 3.96 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 1.05 0.00 0.00 0.98 0.00 0.00 17 C 8.07 4.45 0.00 2.88 2.99 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 0.00 0.00 0.00 18 Q 7.21 4.10 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 19 R 7.41 4.06 0.00 2.00 1.97 0.00 3.38 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 20 L 7.34 4.16 0.00 1.82 1.55 0.63 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.02 4.60 0.00 3.28 2.49 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.61 4.74 0.00 2.75 2.78 0.00 0.00 5.58 7.70 0.00 0.00 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 T 7.94 4.63 4.16 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 1.19 0.00 0.00 24 S 8.24 4.44 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.00 3.98 0.00 1.66 1.77 0.00 3.16 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 26 G 7.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.04 5.25 0.00 1.95 2.02 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.61 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.60 7.81 28 C 8.90 5.26 0.00 3.29 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 29 M 8.36 4.50 0.00 1.97 1.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 30 N 9.11 4.63 0.00 2.88 2.94 0.00 0.00 5.66 7.14 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 31 K 7.80 4.83 0.00 1.78 1.79 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.43 7.81 32 K 7.40 4.78 0.00 2.03 1.72 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 *34 R 8.35 4.30 0.00 1.76 1.86 0.00 3.12 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.63 0.00 35 C 7.83 4.78 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.84 4.80 0.00 2.87 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 37 S 7.72 4.23 0.00 3.68 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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.