NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7220 8.4249 118.1291 53.6567 39.6470 174.0410 7 S 4.5934 7.8408 108.9017 57.5634 64.0670 172.9115 8 D 5.0497 7.8742 120.8884 53.2688 44.0472 174.4683 9 F 5.5343 7.9784 116.1240 55.3284 41.6024 173.9604 10 V 4.6955 9.3989 112.3881 59.6043 35.6336 174.8232 11 V 4.8112 8.6197 123.8716 61.3617 33.7537 174.4365 12 I 4.9994 8.9697 128.6691 59.4340 40.6484 174.1121 13 K 5.0436 9.2908 129.1496 54.4059 34.5515 174.8589 14 A 4.5911 8.8290 130.0630 52.0194 19.1430 177.5812 15 L 4.6851 9.1988 122.5369 54.9581 42.9455 175.7178 16 E 4.8093 7.8120 115.3511 54.4819 33.1931 174.5771 17 D 4.5404 8.7262 119.1444 54.3395 42.0043 176.3866 18 G 3.8290 8.4169 107.0236 46.7224 0.0000 174.3763 19 V 3.9566 7.8000 119.4303 62.3657 33.1581 174.1213 20 N 5.2243 9.3755 126.2713 51.9377 41.5662 173.2915 21 V 4.5395 8.7165 127.6192 61.5962 32.9950 173.9184 22 I 4.3986 8.8815 130.3248 59.6384 38.9530 175.2089 23 G 4.3243 9.5195 116.4127 45.0760 0.0000 172.8724 24 L 5.1113 8.9831 124.9270 52.9001 44.9479 175.6425 25 T 5.1373 8.4498 112.7374 60.0018 70.0966 172.5583 26 R 3.5900 8.9008 121.7279 58.3404 30.6742 176.6073 *33 H 4.6434 8.0729 113.3937 55.2053 29.4902 174.8445 34 H 4.1445 9.5229 135.0000 57.9592 30.5965 172.8266 35 S 4.7294 8.4389 120.3918 57.2369 64.4815 173.3585 36 E 4.4484 8.3730 126.8607 55.6403 32.4122 174.8836 37 K 4.7562 8.6705 131.1359 54.9572 33.0971 172.7958 38 L 4.9715 9.0465 123.6164 52.5883 45.3263 175.5275 39 D 5.1747 10.0054 123.6432 51.8950 43.9347 175.5223 40 K 4.0917 8.8049 122.5616 59.3787 31.8605 176.8257 41 G 4.0146 9.2953 116.2052 44.9286 0.0000 172.8662 42 E 4.3252 8.4041 120.0946 56.0882 31.0010 175.8739 43 V 4.9293 8.2666 121.6465 61.0371 34.3405 174.1886 44 L 4.6906 9.0655 129.9335 53.3286 44.7153 174.9978 45 I 4.8094 8.4617 126.7480 59.8838 38.3730 174.3461 46 A 4.6499 8.9948 130.3103 50.1576 20.9485 175.2793 47 Q 5.0636 8.4753 123.3072 54.2575 31.6059 174.8332 48 F 4.4945 8.7283 124.3529 57.5050 39.6446 175.8438 49 T 4.5770 8.4483 114.6760 59.7344 71.1605 174.3243 50 E 4.1496 8.7688 118.6616 59.8438 30.1377 177.7899 51 H 4.0445 8.5186 116.6110 57.9242 28.8517 174.3058 52 T 4.7049 7.5190 115.4097 61.8049 68.9793 174.0000 53 S 4.5304 8.9141 122.4130 60.5263 63.8859 174.5580 54 A 5.1459 8.0647 120.5038 49.7181 22.9830 174.7039 55 I 4.9449 8.5044 119.2216 59.4502 40.4520 174.8361 56 K 4.5917 9.1991 128.9331 54.6022 34.6296 174.9456 57 V 4.8057 8.3836 126.2209 61.1996 33.8346 174.2535 58 R 4.4653 8.9872 129.4230 55.1002 32.0730 174.6205 59 G 4.0593 8.7454 111.3478 43.4168 0.0000 172.8313 60 K 5.1270 9.2045 118.8570 55.2202 32.7489 176.5698 61 A 5.0718 8.6834 126.3412 50.6843 23.5511 173.6658 62 Y 4.9960 9.2248 121.3950 56.0308 41.0465 174.5817 63 I 4.9733 8.5646 127.3226 59.5262 40.9334 174.2619 64 Q 4.8146 9.1808 126.2800 54.2473 31.3188 174.9235 65 T 4.7823 8.4740 112.9945 59.2107 72.3523 174.6675 66 R 3.6781 8.5372 121.3346 59.7392 29.8061 176.3462 67 H 4.6774 7.5896 112.3007 55.5529 28.9499 174.3270 68 G 3.7228 8.1458 107.2901 44.2123 0.0000 173.4696 69 V 4.4983 7.7605 111.2048 60.8089 33.3313 175.6606 70 I 4.4260 8.1893 120.8659 60.0906 41.8733 172.5424 71 E 5.2527 8.7660 128.2170 54.3813 31.9659 174.9396 72 S 4.6102 9.0949 122.3003 57.4316 65.1870 173.1389 73 E 4.7969 8.8533 124.1320 54.7601 29.7095 176.3073 74 G 4.1783 8.4364 111.8906 45.7980 0.0000 171.3993 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 6 N 8.42 4.72 0.00 2.77 2.90 0.00 0.00 6.84 6.68 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 7 S 7.84 4.59 0.00 3.96 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 8 D 7.87 5.05 0.00 2.72 2.57 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 9 F 7.98 5.53 0.00 3.14 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 10 V 9.40 4.70 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 0.74 0.00 0.00 0.87 0.00 0.00 11 V 8.62 4.81 2.14 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 0.93 0.00 0.00 1.17 0.00 0.00 12 I 8.97 5.00 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.92 0.00 0.00 13 K 9.29 5.04 0.00 1.88 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.83 4.59 1.38 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 0.00 0.00 15 L 9.20 4.69 0.00 1.59 1.73 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.81 4.81 0.00 1.90 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 2.17 2.33 0.00 17 D 8.73 4.54 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 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 0.00 0.00 0.00 19 V 7.80 3.96 2.09 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 0.97 0.00 0.00 1.02 0.00 0.00 20 N 9.38 5.22 0.00 2.80 2.63 0.00 0.00 6.58 7.72 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 21 V 8.72 4.54 2.05 0.00 0.00 0.00 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 0.92 0.00 0.00 22 I 8.88 4.40 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 1.15 0.54 0.92 0.00 0.00 23 G 9.52 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 0.00 0.00 0.00 0.00 24 L 8.98 5.11 0.00 1.87 1.61 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.45 5.14 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 1.27 0.00 0.00 26 R 8.90 3.59 0.00 1.87 2.10 0.00 3.30 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 *33 H 8.07 4.64 0.00 3.30 2.79 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.52 4.14 0.00 3.25 3.27 0.00 5.85 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.44 4.73 0.00 3.89 3.69 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 36 E 8.37 4.45 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 37 K 8.67 4.76 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.05 4.97 0.00 1.66 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.01 5.17 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.80 4.09 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.60 7.81 41 G 9.30 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.40 4.33 0.00 2.08 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 2.32 2.25 0.00 43 V 8.27 4.93 2.09 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.69 0.00 1.74 1.46 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.81 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.60 0.00 0.00 46 A 8.99 4.65 1.12 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 0.00 0.00 47 Q 8.48 5.06 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.73 4.49 0.00 3.07 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 49 T 8.45 4.58 4.30 0.00 0.00 0.00 0.00 0.00 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 50 E 8.77 4.15 0.00 2.11 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 2.34 2.34 0.00 51 H 8.52 4.04 0.00 3.26 3.43 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.52 4.70 4.33 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 1.27 0.00 0.00 53 S 8.91 4.53 0.00 3.92 4.02 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 54 A 8.06 5.15 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.50 4.94 1.82 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.90 0.00 0.00 56 K 9.20 4.59 0.00 1.81 1.64 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 V 8.38 4.81 2.09 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 8.99 4.47 0.00 1.90 1.75 0.00 3.12 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 59 G 8.75 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 0.00 0.00 0.00 60 K 9.20 5.13 0.00 1.74 1.79 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 61 A 8.68 5.07 1.25 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 0.00 0.00 62 Y 9.22 5.00 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.56 4.97 1.88 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 1.20 0.62 0.90 0.00 0.00 64 Q 9.18 4.81 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 65 T 8.47 4.78 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 1.18 0.00 0.00 66 R 8.54 3.68 0.00 1.58 1.78 0.00 3.19 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 67 H 7.59 4.68 0.00 3.16 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.15 3.72 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 0.00 0.00 0.00 69 V 7.76 4.50 1.55 0.00 0.00 0.00 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 0.98 0.00 0.00 70 I 8.19 4.43 1.83 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 1.11 0.95 0.86 0.00 0.00 71 E 8.77 5.25 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 72 S 9.09 4.61 0.00 3.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.85 4.80 0.00 1.86 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 0.00 2.23 2.30 0.00 74 G 8.44 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.