NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0993 8.0249 121.4473 60.1453 38.3550 176.3537 13 P 4.2060 0.0000 0.0000 62.3778 33.5481 173.9911 14 E 3.9878 8.6437 122.2208 59.3691 30.1466 179.3288 15 W 4.6301 8.4705 116.0914 59.4569 27.8156 178.1706 16 K 3.2700 6.9675 118.9400 58.9775 31.4013 179.0529 17 Q 3.9459 7.3986 117.0618 58.8506 28.6963 178.5464 18 E 4.1341 8.7156 120.1786 59.1590 29.4882 178.9729 19 E 3.9638 8.0393 119.1844 59.1606 29.6910 178.7933 20 V 3.5668 7.7291 118.3562 66.1976 31.4779 177.8342 21 D 4.2931 7.8744 118.1115 57.3842 40.2093 178.6079 22 A 4.0583 7.9347 120.9561 55.0612 18.3012 179.8627 23 I 3.7452 7.9058 118.5148 64.5085 37.4233 178.6036 24 V 3.6137 7.9478 119.1449 65.9758 31.2153 177.9469 25 E 3.9627 8.2275 118.2831 59.8266 29.1502 179.3119 26 M 4.1188 7.4903 116.1735 58.3987 32.0504 178.6356 27 I 3.8633 7.7144 119.2780 64.1016 37.2431 178.2264 28 E 4.1008 7.8909 118.6946 59.3830 29.5296 178.8566 29 S 4.2475 7.7297 112.3243 59.5269 64.2968 174.8344 *63 R 4.1546 7.3132 120.0139 55.4795 31.3908 176.0149 64 N 4.3267 8.8222 119.5076 56.7616 38.4911 177.6891 65 T 3.9685 7.8330 110.7580 64.5669 69.1045 176.4863 66 L 4.1057 8.0553 121.3815 56.6941 41.6943 179.3577 67 L 3.9908 7.6571 119.0310 57.8161 41.7294 178.8948 68 E 3.9904 8.0549 118.2355 59.1876 29.0818 179.4441 69 R 3.8041 7.6128 117.2899 59.5440 30.3478 178.3732 70 A 4.1041 7.7614 118.8371 54.7161 18.4133 179.3481 71 L 4.1257 7.8581 117.8885 57.9359 41.7453 178.9516 72 D 4.4675 8.1798 116.9867 56.2830 40.7587 176.9040 73 D 4.6434 7.4955 124.3436 54.3099 41.2239 175.8926 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 12 I 8.02 4.10 1.85 0.00 0.00 0.85 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 1.05 0.88 0.00 0.00 13 P 0.00 4.21 0.00 1.95 2.13 0.00 3.48 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 14 E 8.64 3.99 0.00 2.10 2.20 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 2.41 2.39 0.00 15 W 8.47 4.63 0.00 3.67 3.38 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 16 K 6.97 3.27 0.00 1.46 1.42 0.00 1.31 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.40 3.95 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 18 E 8.72 4.13 0.00 2.01 2.03 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 2.35 2.48 0.00 19 E 8.04 3.96 0.00 2.27 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 2.33 2.36 0.00 20 V 7.73 3.57 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 0.94 0.00 0.00 0.87 0.00 0.00 21 D 7.87 4.29 0.00 2.88 2.69 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 0.00 0.00 0.00 0.00 22 A 7.93 4.06 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 23 I 7.91 3.75 1.99 0.00 0.00 0.85 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 1.14 0.91 0.00 0.00 24 V 7.95 3.61 2.20 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 1.02 0.00 0.00 0.95 0.00 0.00 25 E 8.23 3.96 0.00 2.27 1.98 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 2.33 2.51 0.00 26 M 7.49 4.12 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 27 I 7.71 3.86 1.99 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 1.52 0.73 0.91 0.00 0.00 28 E 7.89 4.10 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 29 S 7.73 4.25 0.00 4.04 3.98 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 *63 R 7.31 4.15 0.00 1.95 1.96 0.00 3.25 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 64 N 8.82 4.33 0.00 2.77 2.89 0.00 0.00 6.90 7.05 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 65 T 7.83 3.97 4.21 0.00 0.00 0.00 0.00 0.00 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 66 L 8.06 4.11 0.00 1.82 1.70 0.76 0.30 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 67 L 7.66 3.99 0.00 1.81 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.05 3.99 0.00 2.18 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 2.32 2.50 0.00 69 R 7.61 3.80 0.00 1.98 2.10 0.00 3.28 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 70 A 7.76 4.10 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 71 L 7.86 4.13 0.00 1.87 1.71 0.92 0.87 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 72 D 8.18 4.47 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.50 4.64 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.