NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9489 8.0501 120.3928 63.0706 31.4206 174.1554 2 A 4.1043 7.5752 128.9774 50.6001 21.0904 173.6052 3 P 4.6013 0.0000 0.0000 62.5556 33.6844 173.7628 4 T 4.7461 7.8071 109.7187 61.3039 72.6529 173.1915 5 L 4.0156 8.4846 120.1666 59.0160 42.2082 179.8438 6 T 3.9731 7.8572 109.1174 64.8042 68.7134 176.1165 7 A 4.1862 7.7019 123.1602 54.6325 18.2732 179.9241 8 R 3.9053 7.8519 116.9579 59.4378 30.3227 179.0477 9 L 3.6731 7.7700 118.2575 57.7384 41.5541 178.6368 10 Y 4.2294 7.9091 119.4137 60.8576 38.6215 177.9288 11 S 3.7026 7.6251 113.4073 61.1964 62.5613 176.1265 12 L 4.0239 7.7598 120.7212 57.2419 41.9977 178.5569 13 L 4.5587 8.1173 117.0578 54.7825 42.7975 178.1888 14 F 5.2777 7.6003 116.7333 58.8266 39.8518 177.6396 15 R 3.6511 8.1597 118.4590 58.5383 30.3205 176.6390 16 R 4.5649 7.3917 116.2294 55.3467 32.0208 176.9512 17 T 4.3618 8.2175 115.3709 65.7137 68.7797 177.7220 18 S 4.2183 7.9782 115.9818 61.4244 63.2482 176.0865 19 T 4.1211 7.8721 115.9514 64.3549 67.2427 176.1838 20 F 4.8284 8.3009 122.5841 60.7669 39.3143 177.0179 21 A 4.0001 8.1606 120.3387 54.9117 18.2335 179.3882 22 L 3.9158 7.6148 117.6205 58.4509 42.1083 179.3943 23 T 3.9058 8.0759 116.0722 66.5408 68.1368 176.8544 24 I 3.6229 7.0408 120.9683 64.8402 37.3342 177.7336 25 V 3.5938 8.1271 119.8335 65.1142 31.2355 177.7041 26 V 3.8987 8.3664 117.8355 66.4048 31.6436 178.9160 27 G 3.6813 8.3947 105.0654 47.4912 0.0000 175.6088 28 A 4.0755 8.3959 123.4571 55.0300 18.4640 179.5701 29 L 3.9419 8.0381 116.9228 58.2609 41.9621 179.7147 30 F 4.0102 8.5373 117.3171 60.3427 38.8227 177.5706 31 F 4.1353 8.7870 120.6468 61.1955 39.1562 176.5246 32 E 3.9293 8.8022 119.3659 59.4278 29.3868 178.6616 33 R 3.8053 7.8929 118.0757 59.4422 30.0874 178.2554 34 A 3.9185 7.7734 119.9190 55.0269 18.3367 179.2172 35 F 3.8070 8.2081 119.4286 61.5476 39.3645 177.0209 36 D 4.1505 8.3161 118.6299 57.4820 40.5668 178.9621 37 Q 4.0327 8.2358 118.6902 58.7916 28.7200 179.0340 38 G 3.4572 8.2412 106.8259 47.6931 0.0000 175.6725 39 A 3.8504 7.8032 123.5833 54.8739 18.2695 179.5012 40 D 4.2878 8.1928 117.2857 57.2919 40.7838 178.8383 41 A 4.0150 8.1862 121.4786 55.2704 18.3856 179.7825 42 I 3.6664 7.8538 118.3047 64.5420 37.2950 178.0562 43 Y 4.0690 8.2456 120.4358 60.9414 38.4826 178.0507 44 E 3.9801 8.4966 118.4826 59.4866 29.6642 178.6223 45 H 4.2837 8.4873 118.5532 59.4021 29.7735 177.4705 46 I 3.7026 7.7551 120.3082 63.2210 37.1492 176.4644 47 N 4.8393 7.5466 116.6994 52.0757 39.1385 173.8908 48 E 3.9777 7.5001 119.0836 58.1564 29.8143 177.4511 49 G 4.0051 8.7484 113.7286 45.5812 0.0000 173.8827 50 K 4.3182 7.8988 117.8911 57.6244 33.2370 177.4539 51 L 4.3530 7.6090 118.0076 53.7132 42.6182 177.4372 52 W 4.3644 9.0372 130.9428 60.7216 30.3578 178.3845 53 K 3.9310 8.0942 116.6793 59.5433 32.0983 177.9515 54 H 4.6162 8.1231 117.2945 57.0606 29.3468 176.3036 55 I 4.0985 7.2742 112.2983 60.2914 38.3965 176.9745 56 K 2.6899 7.4207 122.9789 59.9128 31.5733 177.7498 57 H 4.0207 7.9375 113.1707 58.7449 28.2159 177.1761 58 K 3.7458 7.0525 119.7593 58.2032 31.7050 177.1614 59 Y 4.7355 7.1445 114.7394 58.1736 40.1940 175.8900 60 E 4.1390 8.0589 120.5868 56.7798 30.3680 177.1456 *61 N 4.7280 8.3415 113.7057 51.8310 39.4234 174.1510 62 K 4.1325 8.6236 120.3569 57.5267 32.3290 176.3621 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 1 V 8.05 3.95 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 0.97 0.00 0.00 0.93 0.00 0.00 2 A 7.58 4.10 1.27 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 0.00 0.00 0.00 3 P 0.00 4.60 0.00 2.06 2.06 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 4 T 7.81 4.75 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 1.22 0.00 0.00 5 L 8.48 4.02 0.00 1.79 1.65 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.86 3.97 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 1.27 0.00 0.00 7 A 7.70 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 3.91 0.00 2.03 1.93 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 9 L 7.77 3.67 0.00 1.49 0.96 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.91 4.23 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 3.70 0.00 3.84 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 12 L 7.76 4.02 0.00 1.68 1.57 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.12 4.56 0.00 1.21 1.61 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.60 5.28 0.00 3.33 3.23 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 0.00 15 R 8.16 3.65 0.00 1.04 1.71 0.00 2.97 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 16 R 7.39 4.56 0.00 1.84 1.84 0.00 3.17 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 17 T 8.22 4.36 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 1.24 0.00 0.00 18 S 7.98 4.22 0.00 4.07 4.14 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 0.00 0.00 0.00 0.00 19 T 7.87 4.12 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 1.39 0.00 0.00 20 F 8.30 4.83 0.00 3.50 3.18 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 21 A 8.16 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.61 3.92 0.00 2.04 1.82 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.08 3.91 4.35 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 1.26 0.00 0.00 24 I 7.04 3.62 1.87 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.03 0.80 0.00 0.00 25 V 8.13 3.59 2.26 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 1.06 0.00 0.00 0.97 0.00 0.00 26 V 8.37 3.90 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 1.10 0.00 0.00 1.03 0.00 0.00 27 G 8.39 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.40 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.94 0.00 2.00 1.62 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.54 4.01 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.14 0.00 3.19 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 3.93 0.00 2.27 2.18 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 2.43 2.42 0.00 33 R 7.89 3.81 0.00 1.86 1.84 0.00 3.08 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 34 A 7.77 3.92 1.36 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 0.00 0.00 0.00 35 F 8.21 3.81 0.00 1.97 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 36 D 8.32 4.15 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 37 Q 8.24 4.03 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 38 G 8.24 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.85 0.88 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 0.00 0.00 40 D 8.19 4.29 0.00 2.85 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 41 A 8.19 4.02 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 42 I 7.85 3.67 2.02 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 1.40 0.75 0.95 0.00 0.00 43 Y 8.25 4.07 0.00 3.12 3.14 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 0.00 0.00 0.00 0.00 44 E 8.50 3.98 0.00 2.10 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 0.00 2.40 2.46 0.00 45 H 8.49 4.28 0.00 3.28 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.76 3.70 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.83 0.00 0.00 47 N 7.55 4.84 0.00 2.50 2.59 0.00 0.00 6.51 6.94 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 48 E 7.50 3.98 0.00 1.91 1.80 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 2.25 2.23 0.00 49 G 8.75 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 50 K 7.90 4.32 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 51 L 7.61 4.35 0.00 1.47 1.59 0.91 0.88 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 52 W 9.04 4.36 0.00 3.42 3.14 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 0.00 0.00 0.00 0.00 53 K 8.09 3.93 0.00 1.95 1.98 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.45 7.81 54 H 8.12 4.62 0.00 3.29 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.27 4.10 1.81 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.62 0.92 0.00 0.00 56 K 7.42 2.69 0.00 1.34 1.52 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 0.99 7.81 57 H 7.94 4.02 0.00 3.25 3.32 0.00 5.58 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.05 3.75 0.00 0.79 1.17 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.88 7.81 59 Y 7.14 4.74 0.00 3.03 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 60 E 8.06 4.14 0.00 1.96 2.06 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 2.45 2.55 0.00 *61 N 8.34 4.73 0.00 2.49 2.63 0.00 0.00 6.66 7.44 0.00 0.00 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 K 8.62 4.13 0.00 1.86 1.90 0.00 1.49 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.