NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8213 8.3549 109.7360 45.2881 0.0000 173.3521 2 K 4.2033 8.3637 120.2370 52.4792 32.5315 174.7781 3 K 4.3115 8.2238 124.3142 55.7643 34.9577 177.4049 4 S 4.5033 8.2506 117.2540 57.4818 65.8341 175.0665 5 K 3.9720 8.4366 121.0967 59.3468 31.8508 178.5241 6 A 3.9628 7.8776 120.7079 55.5560 18.4190 179.3276 7 T 3.8213 7.7051 113.8407 66.7610 68.3841 176.7066 8 K 3.9090 7.8286 120.8311 59.5251 32.2832 178.8804 9 K 3.8264 8.0342 118.7650 59.6455 31.9663 179.5244 10 R 3.8875 8.1378 117.9792 59.3633 30.1061 178.8875 11 L 4.0098 8.1681 118.7469 57.8852 41.7130 179.3148 12 A 3.9479 8.7261 120.9547 55.1014 18.3509 179.2453 13 K 3.7705 8.4072 117.9283 59.9418 32.0468 178.6801 14 L 4.1372 8.1649 117.7886 58.0861 41.8979 178.8268 15 D 4.4681 8.1057 117.7790 57.3898 41.3019 177.8883 16 N 4.3752 8.0702 117.3127 56.6467 38.7892 176.7670 17 Q 4.1834 8.0771 118.2696 58.0516 28.7242 177.0769 18 N 4.7751 7.5150 117.0364 52.8975 39.1140 174.5204 19 S 4.5089 7.3015 113.8074 56.6953 64.6745 173.3522 20 R 4.0928 8.0254 121.3360 55.1989 30.7038 175.5975 21 V 3.7519 8.1199 120.2838 61.2083 31.1859 173.2630 22 P 3.9543 0.0000 0.0000 62.2119 31.9006 176.4628 23 A 3.9682 9.0777 125.4354 55.4132 18.4529 179.8835 24 W 4.3313 8.2810 112.8020 59.5946 28.2827 178.4260 25 V 3.2832 6.9290 118.9802 65.4842 30.7118 178.0439 26 M 3.9854 7.6594 118.4769 58.4208 31.8985 178.6292 27 L 4.0178 7.8591 118.5910 57.7223 41.7044 179.2781 28 K 4.0875 8.4436 119.1532 58.9526 32.1401 177.8716 29 T 4.4100 7.5767 106.8059 60.2004 69.4652 173.9721 30 D 4.2802 8.6854 119.5279 55.9314 39.1212 170.9874 31 R 3.4393 8.3040 121.7768 55.8123 30.8135 176.7636 *35 R 3.7821 8.3672 119.2782 56.0296 30.6333 175.0692 36 N 4.5081 8.4101 122.8140 52.5529 38.0432 174.1073 37 H 4.5996 8.4661 121.2920 56.5475 28.8272 176.2064 38 K 4.6452 8.0470 118.9183 55.9664 32.7571 176.4668 39 R 4.1384 7.9536 117.9348 56.0838 30.6410 176.2940 40 R 4.5380 8.2317 121.2838 54.8262 33.2636 173.7165 41 H 4.8019 8.6055 124.7464 54.4335 31.3009 175.6260 42 W 4.1692 8.5407 123.2432 59.7794 28.0988 177.5943 43 R 3.6801 5.8400 117.8652 58.7126 29.6848 177.4599 44 R 3.8750 7.7252 115.1962 59.3221 30.1600 177.3877 45 N 4.7239 7.4920 112.5417 52.4399 40.0874 173.9870 46 D 4.5854 8.1328 117.9035 53.3734 43.7942 175.1261 47 T 4.2917 8.3457 116.7628 60.8016 70.0583 173.6848 48 D 4.5599 8.1723 122.1639 54.6877 41.8775 176.7395 49 E 4.1356 8.6452 118.5879 56.9606 28.9317 174.9058 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 G 8.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.20 0.00 1.82 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 3 K 8.22 4.31 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.25 4.50 0.00 4.07 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 5 K 8.44 3.97 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.50 7.81 6 A 7.88 3.96 1.32 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 7 T 7.71 3.82 4.48 0.00 0.00 0.00 0.00 0.00 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 8 K 7.83 3.91 0.00 2.01 1.96 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 8.03 3.83 0.00 2.01 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 10 R 8.14 3.89 0.00 2.04 1.98 0.00 3.39 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 11 L 8.17 4.01 0.00 1.88 1.74 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.73 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.77 0.00 1.88 2.02 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 L 8.16 4.14 0.00 1.80 1.75 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.11 4.47 0.00 2.89 2.89 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 0.00 0.00 0.00 16 N 8.07 4.38 0.00 2.88 2.90 0.00 0.00 7.24 6.15 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 17 Q 8.08 4.18 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.13 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 18 N 7.51 4.78 0.00 2.97 2.91 0.00 0.00 7.14 7.56 0.00 0.00 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 S 7.30 4.51 0.00 4.05 3.87 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 0.00 0.00 0.00 20 R 8.03 4.09 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 21 V 8.12 3.75 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.87 0.00 0.00 22 P 0.00 3.95 0.00 1.39 2.10 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.65 0.00 23 A 9.08 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.28 4.33 0.00 3.64 3.33 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 0.00 25 V 6.93 3.28 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 0.79 0.00 0.00 -0.30 0.00 0.00 26 M 7.66 3.99 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 27 L 7.86 4.02 0.00 1.78 1.77 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.44 4.09 0.00 2.08 1.96 0.00 2.21 0.00 0.00 2.01 0.00 0.00 3.19 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.59 7.81 29 T 7.58 4.41 4.23 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 1.27 0.00 0.00 30 D 8.69 4.28 0.00 2.83 2.76 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 0.00 0.00 0.00 31 R 8.30 3.44 0.00 1.88 1.91 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *35 R 8.37 3.78 0.00 1.74 1.65 0.00 3.22 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 36 N 8.41 4.51 0.00 2.61 2.71 0.00 0.00 7.28 7.89 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 37 H 8.47 4.60 0.00 3.16 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.05 4.65 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 39 R 7.95 4.14 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 40 R 8.23 4.54 0.00 1.71 1.76 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.61 4.80 0.00 3.13 3.01 0.00 5.93 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.54 4.17 0.00 3.49 3.10 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 0.00 0.00 0.00 43 R 5.84 3.68 0.00 0.67 1.14 0.00 2.41 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 0.00 44 R 7.73 3.87 0.00 1.75 1.91 0.00 3.34 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.49 4.72 0.00 2.90 2.78 0.00 0.00 6.86 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.13 4.59 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.29 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 48 D 8.17 4.56 0.00 2.70 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 49 E 8.65 4.14 0.00 2.14 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 0.00 2.18 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.