NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4429 8.3349 115.4126 57.8785 64.3736 173.1358 23 S 4.2336 8.2726 117.1441 57.3993 63.6794 173.0544 24 D 4.5035 9.2796 124.2507 53.9091 42.4335 175.5777 25 P 4.2843 0.0000 0.0000 65.8661 31.2835 178.9184 26 L 4.0935 7.8591 117.7788 58.3480 40.4206 179.3801 27 V 3.6088 7.7180 119.6571 65.5816 31.5191 177.8307 28 V 3.5493 7.8719 117.4072 66.0931 31.0283 177.6488 29 A 3.9320 7.6923 118.3550 55.2635 18.3635 179.1255 30 A 4.0865 7.8385 117.7920 55.3498 18.6274 179.8100 31 S 4.2761 8.3755 113.8749 61.6160 62.9145 178.2043 32 I 4.0390 8.1721 122.3160 61.3785 37.2380 178.4616 *34 G 3.8944 8.0858 110.0406 45.8266 0.0000 176.0816 35 I 3.6920 8.0043 121.6174 63.8774 36.9503 178.2250 36 L 3.9633 8.0970 121.1994 58.3698 41.9245 178.2415 37 H 4.1943 8.3190 117.6472 59.3642 29.6801 176.5138 38 L 3.9463 7.7380 121.2589 58.3650 41.9340 178.8899 39 I 3.7643 7.9104 119.5770 64.4254 36.9747 178.4144 40 L 4.0126 8.3135 119.9392 57.5717 41.6431 179.1715 41 W 4.1884 8.3982 128.2352 60.6367 30.4444 177.9309 42 I 3.5212 8.2293 119.5224 64.4692 36.4025 178.3620 43 L 3.9407 7.7696 118.2353 57.8282 41.5060 178.7286 44 D 4.3790 8.0923 117.2899 57.4217 41.2387 178.0997 45 R 3.8053 7.2785 117.0376 58.3190 30.0674 176.6029 46 L 4.2243 7.3085 122.9985 54.9842 41.8476 176.3908 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 22 S 8.33 4.44 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.27 4.23 0.00 3.96 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 24 D 9.28 4.50 0.00 2.78 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 25 P 0.00 4.28 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 26 L 7.86 4.09 0.00 1.91 1.92 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.72 3.61 2.22 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 1.07 0.00 0.00 0.93 0.00 0.00 28 V 7.87 3.55 2.24 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 0.89 0.00 0.00 0.97 0.00 0.00 29 A 7.69 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.09 1.35 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 31 S 8.38 4.28 0.00 4.00 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 32 I 8.17 4.04 2.00 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 1.46 0.68 0.92 0.00 0.00 *34 G 8.09 3.89 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 0.00 0.00 0.00 35 I 8.00 3.69 2.00 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 1.41 0.86 0.93 0.00 0.00 36 L 8.10 3.96 0.00 1.78 1.78 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.32 4.19 0.00 3.23 3.46 0.00 5.75 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 38 L 7.74 3.95 0.00 1.78 1.85 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.91 3.76 2.03 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 1.56 0.69 0.94 0.00 0.00 40 L 8.31 4.01 0.00 1.94 1.79 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.40 4.19 0.00 3.49 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.52 2.10 0.00 0.00 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 1.76 1.37 0.92 0.00 0.00 43 L 7.77 3.94 0.00 1.75 1.72 0.93 0.95 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 44 D 8.09 4.38 0.00 2.81 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 45 R 7.28 3.81 0.00 1.18 1.57 0.00 3.16 0.00 0.00 2.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.42 0.00 46 L 7.31 4.22 0.00 1.54 1.51 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.