NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4784 8.2893 118.7898 54.5018 32.3660 173.9761 2 V 4.2321 7.4783 124.4504 59.4869 34.5137 173.7117 3 K 4.8691 8.6215 121.4202 54.8123 34.8492 176.8771 4 V 4.1946 9.0161 125.1495 61.4926 33.2034 174.4765 5 K 5.2328 8.6885 127.5664 55.0353 33.6086 175.6815 6 F 5.0943 8.7785 118.7248 55.5095 42.0246 172.7813 7 K 5.0003 8.8123 120.9766 55.0113 33.8596 174.8715 8 Y 4.6560 8.7048 127.8967 56.5098 40.9613 175.2409 9 K 3.6445 9.4492 128.5992 57.4361 29.6730 176.2397 10 G 4.0794 8.2967 107.2400 45.6247 0.0000 174.1357 11 E 4.1357 7.8733 120.1628 55.6162 30.3724 174.5679 12 E 4.5522 8.4620 125.2914 55.3362 30.6145 175.3384 13 K 4.5888 8.7438 125.6581 54.6860 36.6755 174.8942 14 E 5.4079 8.1558 119.4902 55.1081 33.7458 175.3356 15 V 4.4835 8.7513 121.7968 59.9491 35.2415 174.6054 16 D 4.8595 8.6745 123.5769 54.1403 41.7073 177.5231 17 T 3.7538 8.6224 113.7171 64.7677 68.6770 176.1986 18 S 4.2983 7.9910 114.4330 59.7106 63.3261 174.5349 19 K 4.3884 8.2427 120.8439 56.5910 32.6428 176.1787 20 I 4.6061 7.4100 121.3715 61.1917 37.7130 175.7957 21 K 4.3776 9.0808 125.7674 58.3932 33.0061 177.3845 22 K 4.8237 7.9877 119.9764 54.8303 35.9875 174.9921 23 V 5.2706 8.6507 125.7753 61.1367 34.7862 174.0412 24 W 5.3293 8.9667 123.3381 55.5725 32.4540 172.9596 25 R 4.9284 8.8772 119.8641 54.6259 31.5641 175.0007 26 A 4.6997 8.9441 130.7790 51.0224 20.2926 177.3044 27 G 3.8575 8.2139 114.4351 48.0436 0.0000 173.2175 28 K 4.2690 8.7486 124.5557 55.6122 32.4566 174.8644 29 A 4.6320 7.9730 123.2231 50.7318 19.5512 177.5624 30 V 4.0420 8.6933 123.7555 63.8038 32.4224 175.2598 31 S 4.7562 8.4308 124.9961 56.7379 65.9067 173.3230 32 F 5.0999 7.2874 115.5584 56.1667 41.2379 173.1158 33 T 5.1536 8.8255 111.1477 60.7996 71.8914 172.4956 34 Y 5.2759 8.0754 119.4003 56.3082 42.1654 173.1058 35 D 5.0173 9.0967 119.1949 52.8773 43.8025 174.7338 36 D 4.7085 9.5244 128.0533 52.9414 41.4347 175.5366 37 N 4.1404 9.8894 128.5704 54.4870 37.2848 174.8306 38 G 3.8642 8.7669 108.4598 45.4571 0.0000 174.2489 39 K 4.4064 8.0969 123.8721 54.4009 32.4270 181.2452 40 T 4.5986 8.3184 123.3727 62.0685 69.9585 174.8925 41 G 3.6440 7.5282 111.4521 45.6122 0.0000 171.4782 42 R 5.0109 8.1263 118.7641 54.6022 33.4091 174.7116 43 G 3.3522 8.1243 111.1245 44.5963 0.0000 170.7847 44 A 4.8646 7.7220 119.3400 50.8330 22.0822 175.9868 45 V 4.7387 8.7229 112.8997 59.4314 36.9777 175.4020 46 S 4.6876 8.5808 116.4155 57.9191 63.9258 174.9449 47 E 3.9154 8.5386 123.3890 59.3276 29.4731 179.1378 48 K 4.0860 8.0479 117.9332 58.3797 32.3878 176.5257 49 D 4.7901 7.7902 116.0468 53.9231 41.7712 176.3264 50 A 4.1920 7.6023 123.6116 50.9915 19.1880 176.5488 51 P 4.5027 0.0000 0.0000 62.1642 33.6464 177.5302 52 K 3.8576 8.5567 119.6964 59.9408 32.0395 178.7751 53 E 3.9482 8.1320 118.2711 59.2741 29.3133 179.0077 54 L 3.8549 7.7220 119.8749 58.0820 42.2150 178.7881 55 L 3.9779 7.8760 118.9695 57.9177 41.4880 179.3035 56 D 4.3463 8.5317 119.3567 57.4735 40.7099 178.6781 57 M 4.0707 7.9668 119.4128 58.1209 31.8546 178.5096 58 L 3.9475 8.0846 120.4109 58.1810 42.2147 178.8528 59 A 4.0010 8.2350 120.8560 55.3312 18.0542 179.8264 60 R 3.8938 7.8760 115.4708 59.3505 30.5193 178.8694 61 A 4.1869 8.0627 120.6783 55.0780 18.1916 179.4464 62 E 4.0831 8.3289 116.1821 58.9102 29.5937 178.9177 63 R 4.1062 7.6562 117.9368 57.0740 30.3692 175.8742 64 E 4.5546 7.1685 115.8208 54.0523 31.5269 175.8088 65 K 4.1482 8.3366 118.6621 57.0921 33.2478 177.1371 66 K 4.1590 8.3848 117.9755 56.6456 32.3259 176.4344 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 M 8.29 4.48 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 7.48 4.23 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 0.59 0.00 0.00 0.89 0.00 0.00 3 K 8.62 4.87 0.00 1.61 1.72 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.38 7.81 4 V 9.02 4.19 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 0.86 0.00 0.00 0.67 0.00 0.00 5 K 8.69 5.23 0.00 1.71 1.73 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.37 7.81 6 F 8.78 5.09 0.00 3.25 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 7 K 8.81 5.00 0.00 1.82 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.54 7.81 8 Y 8.70 4.66 0.00 3.28 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 9 K 9.45 3.64 0.00 1.59 1.64 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.67 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.92 0.21 7.81 10 G 8.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.87 4.14 0.00 2.05 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 2.27 2.23 0.00 12 E 8.46 4.55 0.00 1.95 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 2.21 2.33 0.00 13 K 8.74 4.59 0.00 0.79 0.74 0.00 1.60 0.00 0.00 1.50 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.37 7.81 14 E 8.16 5.41 0.00 1.70 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 2.32 2.23 0.00 15 V 8.75 4.48 1.69 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 0.61 0.00 0.00 0.75 0.00 0.00 16 D 8.67 4.86 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 3.75 4.15 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 0.00 0.00 1.12 0.00 0.00 18 S 7.99 4.30 0.00 4.00 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 19 K 8.24 4.39 0.00 1.84 2.20 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.55 7.81 20 I 7.41 4.61 1.98 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.34 0.94 0.00 0.00 21 K 9.08 4.38 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.45 7.81 22 K 7.99 4.82 0.00 1.73 1.85 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.55 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.72 1.66 7.81 23 V 8.65 5.27 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 0.97 0.00 0.00 0.96 0.00 0.00 24 W 8.97 5.33 0.00 3.38 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 25 R 8.88 4.93 0.00 1.86 1.91 0.00 3.23 0.00 0.00 3.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 26 A 8.94 4.70 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.21 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.75 4.27 0.00 1.82 1.81 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.41 7.81 29 A 7.97 4.63 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 30 V 8.69 4.04 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 0.92 0.00 0.00 0.92 0.00 0.00 31 S 8.43 4.76 0.00 2.72 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 32 F 7.29 5.10 0.00 3.05 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 33 T 8.83 5.15 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 1.48 0.00 0.00 34 Y 8.08 5.28 0.00 3.20 3.22 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 0.00 0.00 0.00 0.00 35 D 9.10 5.02 0.00 2.68 2.62 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 0.00 0.00 0.00 36 D 9.52 4.71 0.00 2.86 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 37 N 9.89 4.14 0.00 2.85 2.84 0.00 0.00 7.45 7.98 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 38 G 8.77 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.10 4.41 0.00 1.45 1.74 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 1.28 7.81 40 T 8.32 4.60 4.16 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 1.15 0.00 0.00 41 G 7.53 3.64 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 0.00 0.00 0.00 42 R 8.13 5.01 0.00 1.70 1.69 0.00 3.24 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.61 0.00 43 G 8.12 3.35 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 0.00 44 A 7.72 4.86 0.98 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 0.00 0.00 45 V 8.72 4.74 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 0.95 0.00 0.00 1.01 0.00 0.00 46 S 8.58 4.69 0.00 4.01 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 0.00 47 E 8.54 3.92 0.00 1.97 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 2.31 2.26 0.00 48 K 8.05 4.09 0.00 1.76 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 49 D 7.79 4.79 0.00 2.73 2.68 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 50 A 7.60 4.19 1.26 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 0.00 0.00 0.00 51 P 0.00 4.50 0.00 2.39 2.16 0.00 3.66 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 1.99 1.95 0.00 52 K 8.56 3.86 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.53 7.81 53 E 8.13 3.95 0.00 2.04 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 2.37 2.40 0.00 54 L 7.72 3.85 0.00 1.60 1.72 0.60 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.88 3.98 0.00 1.84 1.70 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.53 4.35 0.00 2.79 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 57 M 7.97 4.07 0.00 2.07 2.25 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 2.77 2.52 0.00 58 L 8.08 3.95 0.00 1.76 1.85 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.24 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.89 0.00 1.99 2.02 0.00 3.17 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 61 A 8.06 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.08 0.00 1.98 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 2.40 2.55 0.00 63 R 7.66 4.11 0.00 1.88 2.13 0.00 3.30 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 64 E 7.17 4.55 0.00 2.15 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 2.41 2.36 0.00 65 K 8.34 4.15 0.00 1.88 1.86 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 66 K 8.38 4.16 0.00 1.73 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.