NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 4.3648 7.8976 114.0190 60.3732 33.7874 174.3136 11 P 4.5257 0.0000 0.0000 62.9479 32.0797 173.2248 12 A 4.4454 9.0550 121.4220 51.4208 23.7790 176.6370 13 R 4.5938 8.2965 118.0224 54.7570 32.3098 176.9859 14 I 4.1924 8.8675 127.2147 60.1819 36.6945 175.3055 15 I 4.1883 8.1802 127.0070 61.3142 38.3705 175.3382 16 C 5.2906 8.3526 123.4810 59.3380 29.0091 174.6034 17 G 4.1300 8.3507 110.9784 46.0036 0.0000 172.3044 18 C 4.7171 7.9111 114.6200 57.6998 30.3328 175.3498 19 G 4.2529 8.4961 115.2704 47.4353 0.0000 174.5361 20 N 4.4269 7.6767 117.9690 54.0976 40.2421 173.6882 21 V 4.9058 8.0915 121.5461 61.7401 34.7723 173.6768 22 I 4.5054 8.7911 128.6806 59.7225 40.0886 174.7848 23 E 4.8691 8.7636 124.8825 54.6159 30.7888 175.1590 24 T 4.5194 8.3006 122.8004 60.9236 72.4227 172.5773 25 Y 5.2104 9.5686 118.4407 55.4118 43.9089 177.6262 26 S 5.4832 8.5118 121.5862 59.1195 62.1824 179.3944 27 T 4.4872 8.8278 104.1591 60.2923 71.6037 173.9763 28 K 3.6884 8.5968 116.2358 56.9624 31.1116 172.5076 29 P 4.4838 0.0000 0.0000 62.2692 31.2248 177.0200 30 E 4.6623 7.3471 114.7330 55.5545 34.1215 175.4513 31 I 4.6670 7.9354 122.9817 59.4607 42.0265 174.0585 32 Y 5.4750 7.9556 119.3796 56.8811 37.3071 175.6041 33 V 3.7211 8.3693 121.5915 62.4862 33.3661 177.0121 34 E 4.3789 8.5059 128.0988 55.5173 27.6277 172.1695 35 V 3.5898 7.7130 126.3489 62.3357 34.0017 171.1324 36 C 4.6786 8.2759 125.6674 58.0574 29.5008 176.7209 37 S 4.5729 8.4315 106.1866 58.0045 60.0962 174.3107 38 K 4.6483 7.4699 124.6637 56.3670 33.4969 176.5570 39 C 4.6144 7.9678 111.7344 59.4668 30.1210 174.5964 *40 H 4.5315 7.9099 119.7625 54.7706 28.2566 175.0111 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 10 V 7.90 4.36 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 0.73 0.00 0.00 0.95 0.00 0.00 11 P 0.00 4.53 0.00 1.89 1.81 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 12 A 9.06 4.45 1.19 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 0.00 0.00 13 R 8.30 4.59 0.00 1.62 1.81 0.00 3.16 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 14 I 8.87 4.19 1.87 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 1.23 0.61 0.93 0.00 0.00 15 I 8.18 4.19 2.28 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 1.05 0.00 0.00 16 C 8.35 5.29 0.00 3.11 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 17 G 8.35 4.13 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 0.00 0.00 0.00 18 C 7.91 4.72 0.00 3.05 2.98 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 19 G 8.50 4.25 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 0.00 20 N 7.68 4.43 0.00 2.82 2.74 0.00 0.00 6.55 7.71 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 21 V 8.09 4.91 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 0.82 0.00 0.00 0.95 0.00 0.00 22 I 8.79 4.51 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.33 0.91 0.00 0.00 23 E 8.76 4.87 0.00 1.76 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 2.12 2.22 0.00 24 T 8.30 4.52 4.36 0.00 0.00 0.00 0.00 0.00 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 25 Y 9.57 5.21 0.00 2.85 3.01 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 26 S 8.51 5.48 0.00 4.06 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 27 T 8.83 4.49 4.24 0.00 0.00 0.00 0.00 0.00 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 28 K 8.60 3.69 0.00 1.92 1.87 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 29 P 0.00 4.48 0.00 2.02 2.05 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.38 0.00 30 E 7.35 4.66 0.00 1.80 1.62 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 2.12 2.24 0.00 31 I 7.94 4.67 1.85 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 1.45 1.22 0.94 0.00 0.00 32 Y 7.96 5.47 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.37 3.72 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 0.97 0.00 0.00 0.97 0.00 0.00 34 E 8.51 4.38 0.00 1.98 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 2.31 2.34 0.00 35 V 7.71 3.59 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 0.77 0.00 0.00 0.92 0.00 0.00 36 C 8.28 4.68 0.00 3.12 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.57 0.00 4.00 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 38 K 7.47 4.65 0.00 1.67 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.45 7.81 39 C 7.97 4.61 0.00 2.96 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 *40 H 7.91 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.