NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3249 8.2649 123.5822 51.6312 20.7667 177.2897 3 S 4.0656 7.9140 112.2317 56.9622 63.2458 171.6632 4 K 4.3479 8.1882 121.8178 56.2768 35.6473 173.9460 5 K 4.4894 8.5677 120.3269 54.4464 33.6620 175.1339 6 V 4.4389 8.3043 125.6825 60.0103 33.4800 174.6815 7 H 4.8845 8.6925 121.2872 54.5428 32.1111 172.1240 8 Q 4.5754 8.5683 126.5451 54.1955 32.2062 173.8423 9 I 4.5601 8.2055 123.1348 59.4883 40.0328 174.6031 10 N 4.9287 8.6681 122.3407 51.2901 40.6586 174.3840 11 V 4.1551 8.0938 121.4992 60.8874 34.3123 174.0777 12 K 4.4303 8.5495 127.6803 54.4336 34.4869 175.2268 13 G 4.0872 7.9054 111.3871 46.4472 0.0000 170.9252 14 F 4.5813 8.7075 123.5482 57.6032 40.4302 175.0244 15 F 5.2405 8.1536 129.1589 57.4755 40.0305 173.9274 16 D 4.3526 8.3719 124.8972 52.6114 44.2561 175.1064 *18 D 4.5865 8.6979 119.8945 54.0754 42.0968 176.7450 19 V 3.8663 7.3803 116.2720 64.3485 32.7249 174.9580 *21 E 4.5381 7.5389 117.9855 56.2508 31.7029 174.1612 22 V 4.9540 8.9602 122.8176 61.4772 34.6602 174.2970 23 T 5.5044 9.3241 121.7157 59.3646 70.3582 172.0420 24 E 4.9032 9.0977 127.0002 55.0302 32.4472 175.0810 25 Q 4.6407 8.7200 124.1044 55.2956 29.2448 174.7193 26 T 4.4811 8.9650 124.3742 62.1379 69.7963 176.5872 27 K 4.3051 8.6883 122.7154 57.3055 31.7637 176.9919 28 E 4.5277 8.3709 114.0968 56.6096 32.2304 174.4365 29 A 4.0987 7.1069 119.9190 51.5328 21.6629 173.9106 30 E 4.7608 7.9494 119.0161 54.6934 30.8750 174.9474 31 Y 4.3112 8.2299 124.3761 57.6036 39.7920 174.8073 32 T 4.9001 8.0328 117.9893 62.1223 71.8002 172.7946 33 Y 4.9669 9.3686 124.7571 56.1087 41.4727 174.8215 34 D 5.0959 8.7561 123.1302 52.0968 40.4446 176.7892 35 F 4.5649 9.3613 126.9364 61.0833 39.2462 176.7137 36 K 3.8607 8.1817 118.9253 59.4054 31.9196 178.0656 37 E 3.9140 8.1149 117.9962 59.3998 29.8880 178.3493 38 I 3.8508 7.5757 119.2403 64.6118 37.2801 177.9039 39 L 3.9115 8.3400 121.3556 58.4042 41.9137 179.2922 40 S 4.1609 8.2614 113.9091 61.1433 62.6429 175.7423 41 E 3.9473 7.9046 121.6523 57.7731 29.1924 176.8239 42 F 4.6962 7.9448 115.8433 57.2405 40.5668 174.8276 43 N 4.3801 7.7007 120.1078 55.5265 38.8044 174.5162 44 G 4.1106 10.0019 113.8017 45.0022 0.0000 172.4313 45 K 4.7086 7.4665 116.4713 54.5151 35.8148 175.7531 46 N 4.5559 8.5766 117.5036 53.4738 39.0242 175.3368 47 V 4.4211 7.9696 114.6462 59.9645 35.7934 174.2816 48 S 4.6267 8.4487 119.1622 56.9838 63.9644 173.7218 49 I 4.4463 8.1100 125.9898 59.6145 39.3295 175.2565 50 T 4.5124 8.1697 119.7657 61.6772 71.8221 173.6654 51 V 4.1387 8.2979 124.5541 60.9602 33.4195 174.2220 52 K 4.5169 8.3977 127.9798 54.4532 34.3729 175.1585 53 E 4.4505 8.5043 125.0208 54.6326 31.5668 173.9531 54 E 4.6676 8.7607 124.3971 54.4714 31.7263 174.9297 55 N 5.1239 8.4422 119.5785 51.4335 41.9208 173.3901 56 E 4.4801 8.3977 117.9731 55.6248 31.0196 175.6833 57 L 4.4428 8.0843 120.5626 52.6102 42.7849 175.2527 58 P 4.2063 0.0000 0.0000 63.1683 31.3431 176.8453 59 V 4.1157 8.1551 117.1517 60.3608 32.8590 175.7596 60 K 4.4985 8.9375 115.8033 55.2017 33.2799 176.3886 61 G 4.7076 7.4802 116.7122 46.1889 0.0000 172.7533 62 V 4.2106 7.8904 125.7796 61.6464 33.1854 175.7475 63 E 4.2751 8.3168 121.7753 56.9789 30.2981 175.3115 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 A 8.26 4.32 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 3 S 7.91 4.07 0.00 3.95 3.81 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 4 K 8.19 4.35 0.00 1.82 1.75 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.39 7.81 5 K 8.57 4.49 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 6 V 8.30 4.44 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 0.79 0.00 0.00 0.95 0.00 0.00 7 H 8.69 4.88 0.00 3.06 3.31 0.00 5.87 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 8 Q 8.57 4.58 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 9 I 8.21 4.56 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.97 0.00 0.00 10 N 8.67 4.93 0.00 2.60 2.65 0.00 0.00 6.79 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 11 V 8.09 4.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.95 0.00 0.00 12 K 8.55 4.43 0.00 1.67 1.63 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 13 G 7.91 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 14 F 8.71 4.58 0.00 3.19 3.13 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 0.00 0.00 0.00 0.00 15 F 8.15 5.24 0.00 2.68 2.70 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 0.00 0.00 0.00 0.00 16 D 8.37 4.35 0.00 2.67 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.59 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.87 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 0.80 0.00 0.00 1.01 0.00 0.00 *21 E 7.54 4.54 0.00 2.08 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 0.00 2.41 2.53 0.00 22 V 8.96 4.95 2.22 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 0.97 0.00 0.00 0.73 0.00 0.00 23 T 9.32 5.50 4.32 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 1.44 0.00 0.00 24 E 9.10 4.90 0.00 2.22 2.38 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 2.69 2.59 0.00 25 Q 8.72 4.64 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 26 T 8.96 4.48 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 27 K 8.69 4.31 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 E 8.37 4.53 0.00 2.07 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 2.32 2.38 0.00 29 A 7.11 4.10 0.80 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 0.00 0.00 30 E 7.95 4.76 0.00 1.83 1.70 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 0.00 2.12 2.41 0.00 31 Y 8.23 4.31 0.00 2.81 2.38 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 32 T 8.03 4.90 4.18 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 1.24 0.00 0.00 33 Y 9.37 4.97 0.00 2.94 2.91 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 34 D 8.76 5.10 0.00 2.86 2.93 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 35 F 9.36 4.56 0.00 3.24 3.32 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 36 K 8.18 3.86 0.00 1.94 1.84 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 37 E 8.11 3.91 0.00 2.59 2.02 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 2.36 2.42 0.00 38 I 7.58 3.85 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 1.06 0.00 0.00 39 L 8.34 3.91 0.00 1.60 1.50 0.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.26 4.16 0.00 4.07 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 0.00 41 E 7.90 3.95 0.00 1.83 1.73 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 1.81 2.11 0.00 42 F 7.94 4.70 0.00 3.31 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 43 N 7.70 4.38 0.00 2.70 2.75 0.00 0.00 7.43 7.29 0.00 0.00 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 G 10.00 4.11 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 0.00 0.00 0.00 45 K 7.47 4.71 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.61 7.81 46 N 8.58 4.56 0.00 2.75 2.80 0.00 0.00 6.71 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 47 V 7.97 4.42 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 0.75 0.00 0.00 0.84 0.00 0.00 48 S 8.45 4.63 0.00 3.78 3.73 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 49 I 8.11 4.45 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 0.87 0.00 0.00 50 T 8.17 4.51 4.18 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 1.16 0.00 0.00 51 V 8.30 4.14 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 0.63 0.00 0.00 0.84 0.00 0.00 52 K 8.40 4.52 0.00 1.67 1.59 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.35 7.81 53 E 8.50 4.45 0.00 1.86 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 54 E 8.76 4.67 0.00 2.08 1.89 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 2.16 2.29 0.00 55 N 8.44 5.12 0.00 2.70 2.79 0.00 0.00 7.04 7.66 0.00 0.00 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 E 8.40 4.48 0.00 1.96 1.88 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 2.28 2.27 0.00 57 L 8.08 4.44 0.00 1.63 1.60 0.92 1.02 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 58 P 0.00 4.21 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 59 V 8.16 4.12 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 0.80 0.00 0.00 0.93 0.00 0.00 60 K 8.94 4.50 0.00 1.80 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.40 7.81 61 G 7.48 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.89 4.21 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 0.85 0.00 0.00 0.93 0.00 0.00 63 E 8.32 4.28 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.