NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 F 4.6385 8.3093 119.0059 55.5871 38.6974 173.6145 3 P 4.3506 0.0000 0.0000 62.2519 32.0562 175.2233 4 T 4.8871 8.1714 116.9920 62.0930 73.3299 173.7129 5 Y 5.0540 8.4926 122.9336 54.5916 41.9410 174.8906 6 K 4.5219 8.7934 119.1558 56.4673 32.7632 178.3052 7 C 4.5937 8.7161 121.0982 55.8262 38.5826 172.4357 8 P 4.4502 0.0000 0.0000 63.0342 32.7466 177.2492 9 E 3.8724 8.8375 121.7224 60.2049 29.0034 179.9400 10 T 3.9397 8.0117 112.1778 65.2031 67.2646 175.7704 11 F 4.0684 7.9417 119.0656 59.9498 38.9709 177.0619 12 D 4.2757 8.3507 117.0506 57.4583 41.0500 178.1453 13 A 3.6973 7.7057 119.5765 54.0234 18.4864 178.7126 14 W 4.9006 7.2510 112.5096 56.6950 30.6878 176.8883 15 Y 4.2436 8.2441 120.4250 60.4041 38.4998 174.7945 16 C 4.5008 8.0462 115.9058 55.3648 39.9467 173.5378 17 L 4.4125 8.2874 124.7280 53.9464 43.1579 175.5911 18 N 3.9043 8.8087 113.7556 54.6799 35.5229 173.7540 19 D 4.1489 7.8807 109.7863 55.4013 39.5301 172.2104 20 A 4.7314 7.1152 119.3809 50.7963 21.9153 176.8082 21 H 4.8925 8.6637 118.5192 54.4786 32.5354 172.0808 22 C 5.0285 8.6977 126.4171 56.2635 43.7839 172.3533 23 F 5.2714 8.8222 120.4711 54.9214 41.4674 173.6053 24 A 4.9919 8.7962 121.1094 50.1692 22.1471 175.5009 25 V 4.5937 8.2333 114.4475 59.2655 35.7760 174.8809 26 K 4.9697 8.9282 125.8917 55.0010 33.0490 175.5053 27 I 4.3107 8.4638 121.7176 59.8970 40.0654 175.5294 28 A 3.7247 9.3841 130.8986 54.7859 15.5231 176.7006 29 D 4.4658 8.0125 113.8160 53.5107 38.3301 175.0210 30 L 4.9534 7.2692 119.0916 53.1076 44.6749 173.9344 31 P 4.6318 0.0000 0.0000 62.3106 32.5043 175.3902 32 V 3.8864 8.6715 125.0883 60.9765 33.7596 173.6005 33 Y 4.8319 7.8132 125.6448 56.6989 39.2227 175.0480 34 S 4.7338 8.1622 119.3565 57.4610 68.1662 171.9745 35 C 5.2811 8.1997 115.9883 55.8363 42.3244 173.9874 36 E 4.6647 9.1100 121.7228 55.6694 30.2691 175.3192 37 C 4.9271 8.8956 122.3858 56.1718 38.4325 173.9142 38 A 4.2697 8.7372 127.2003 52.0880 18.8526 177.6373 39 I 3.7720 8.3322 117.2466 62.2085 35.6584 177.2696 40 G 3.9599 9.5205 113.4696 44.0565 0.0000 172.4590 41 F 5.3183 7.8415 117.3739 55.9575 42.4114 173.8834 42 M 4.6779 9.4451 119.8697 54.4154 34.1399 172.7402 43 G 4.0882 8.7400 104.3862 44.4191 0.0000 173.7081 44 Q 4.1017 8.7370 118.9552 58.8150 29.2731 176.9006 45 R 4.1474 8.3673 115.3184 55.3886 30.3925 175.7422 46 C 4.4003 7.8308 113.0658 58.2755 37.4415 173.3550 47 E 4.0907 7.8622 115.7991 56.7938 31.2334 176.3318 48 Y 4.9604 7.8547 118.8502 56.2669 40.3958 175.0528 49 K 4.4086 8.6540 122.9453 55.4991 33.1643 176.7618 50 E 4.1274 8.7309 125.4540 56.6232 30.1198 176.5104 51 I 4.3835 8.1445 124.1617 59.2980 39.3128 174.8531 52 D 4.4831 8.7127 124.9372 54.2908 41.4855 175.4177 53 N 4.8676 8.6067 122.8474 53.3068 39.2117 175.9232 54 T 3.9725 8.6932 110.4555 64.0401 69.2864 175.1083 55 Y 4.3685 7.3940 119.2975 57.5793 38.6172 175.1328 56 L 4.4593 8.3374 123.6268 53.1229 42.9460 175.1901 57 P 4.4950 0.0000 0.0000 62.4875 32.1605 176.5879 58 K 4.1520 8.4303 117.7556 56.8963 32.0573 177.1377 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 4.64 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.32 2.11 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 4 T 8.17 4.89 4.23 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 1.13 0.00 0.00 5 Y 8.49 5.05 0.00 3.00 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 6 K 8.79 4.52 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.56 7.81 7 C 8.72 4.59 0.00 2.98 2.77 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 8 P 0.00 4.45 0.00 2.24 2.07 0.00 3.24 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 9 E 8.84 3.87 0.00 2.03 2.04 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 2.41 2.43 0.00 10 T 8.01 3.94 4.27 0.00 0.00 0.00 0.00 0.00 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 11 F 7.94 4.07 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.35 4.28 0.00 2.78 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 13 A 7.71 3.70 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 7.25 4.90 0.00 3.32 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 Y 8.24 4.24 0.00 3.06 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 16 C 8.05 4.50 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.41 0.00 1.52 1.45 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.81 3.90 0.00 2.01 1.48 0.00 0.00 6.86 8.06 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 19 D 7.88 4.15 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.12 4.73 1.31 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 0.00 0.00 0.00 21 H 8.66 4.89 0.00 3.28 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.70 5.03 0.00 3.03 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 23 F 8.82 5.27 0.00 3.06 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 24 A 8.80 4.99 0.69 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 0.00 0.00 25 V 8.23 4.59 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 0.87 0.00 0.00 0.99 0.00 0.00 26 K 8.93 4.97 0.00 1.99 1.82 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.44 7.81 27 I 8.46 4.31 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.90 0.00 0.00 28 A 9.38 3.72 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 29 D 8.01 4.47 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 4.95 0.00 1.64 1.48 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.63 0.00 1.41 1.99 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 32 V 8.67 3.89 1.91 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 0.83 0.00 0.00 0.80 0.00 0.00 33 Y 7.81 4.83 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.16 4.73 0.00 2.91 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 35 C 8.20 5.28 0.00 2.80 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 36 E 9.11 4.66 0.00 2.09 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 2.45 2.60 0.00 37 C 8.90 4.93 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.74 4.27 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.33 3.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.91 0.00 0.00 40 G 9.52 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.84 5.32 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 9.45 4.68 0.00 2.23 2.23 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 2.74 2.59 0.00 43 G 8.74 4.09 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 0.00 0.00 0.00 44 Q 8.74 4.10 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.34 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 45 R 8.37 4.15 0.00 1.75 1.53 0.00 3.08 0.00 0.00 2.94 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.30 0.00 46 C 7.83 4.40 0.00 3.15 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 47 E 7.86 4.09 0.00 1.62 1.77 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 1.47 1.47 0.00 48 Y 7.85 4.96 0.00 3.21 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 49 K 8.65 4.41 0.00 1.57 1.52 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.59 1.36 7.81 50 E 8.73 4.13 0.00 1.77 1.87 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 2.37 2.22 0.00 51 I 8.14 4.38 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.93 0.00 0.00 52 D 8.71 4.48 0.00 2.72 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 53 N 8.61 4.87 0.00 2.70 2.81 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.69 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 55 Y 7.39 4.37 0.00 3.00 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 56 L 8.34 4.46 0.00 1.68 1.62 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.50 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 58 K 8.43 4.15 0.00 1.76 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.