NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 5.0527 8.3381 119.4684 56.2844 32.2906 173.8829 2 V 4.4541 8.3565 122.0636 59.7274 33.8377 173.0969 3 R 4.7818 9.5355 124.2455 54.7526 35.6860 174.7080 4 T 5.0112 8.4479 113.9237 60.5863 68.9693 173.1500 5 R 4.5468 9.4726 128.9711 55.8323 32.2990 175.7008 6 K 3.9815 9.8952 122.8688 57.2158 29.8944 175.7553 7 G 4.0332 8.4509 108.3155 45.5838 0.0000 175.0452 8 R 4.1883 9.1013 118.6138 55.4584 30.9479 175.3216 9 R 4.7008 8.2825 120.0305 55.3470 30.8344 175.1643 10 I 4.5798 8.9071 126.1629 59.1911 40.6960 174.1514 11 R 5.0755 8.6808 127.4402 54.7288 32.2933 175.5522 12 I 4.4637 9.0416 121.9345 60.7968 40.5873 173.9106 *14 P 4.1068 0.0000 0.0000 62.8448 31.5046 176.1055 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 R 8.34 5.05 0.00 1.88 1.92 0.00 3.31 0.00 0.00 3.30 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 2 V 8.36 4.45 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 0.78 0.00 0.00 0.93 0.00 0.00 3 R 9.54 4.78 0.00 1.72 1.82 0.00 3.12 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 4 T 8.45 5.01 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 1.21 0.00 0.00 5 R 9.47 4.55 0.00 1.73 1.72 0.00 3.29 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 6 K 9.90 3.98 0.00 1.86 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.41 7.81 7 G 8.45 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 4.19 0.00 2.05 1.86 0.00 3.11 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 9 R 8.28 4.70 0.00 1.76 1.83 0.00 3.17 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 10 I 8.91 4.58 1.87 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 1.23 1.18 0.93 0.00 0.00 11 R 8.68 5.08 0.00 1.69 1.78 0.00 3.20 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 I 9.04 4.46 1.87 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 1.28 0.87 0.91 0.00 0.00 *14 P 0.00 4.11 0.00 2.24 2.20 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.