NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3247 8.3449 119.1190 54.8277 28.7273 172.8745 7 I 3.8833 7.8706 124.4261 57.6118 38.1930 174.0606 8 P 4.4270 0.0000 0.0000 61.5701 32.9193 173.7242 9 P 4.3531 0.0000 0.0000 64.6270 31.7871 176.8388 10 G 4.0491 8.9739 111.2015 45.2979 0.0000 175.2788 11 L 3.9209 7.8921 121.2129 58.4916 42.0599 178.9613 12 T 3.9305 7.8853 109.2607 64.8483 68.2290 175.9235 13 E 3.9703 8.2053 120.9795 59.0290 29.4240 178.7181 14 L 4.1784 7.9891 120.2643 58.5625 42.1479 179.1922 15 L 4.3078 8.1833 118.5803 57.7397 41.4607 179.4970 16 Q 4.1734 8.5746 118.6519 58.6593 28.0944 178.7807 17 G 3.6687 8.3319 106.9365 47.9151 0.0000 175.0656 18 Y 2.8638 7.6951 122.1522 60.3056 38.7387 178.4582 19 T 3.5736 7.7761 116.7859 66.5287 68.6045 177.0523 20 V 3.5654 7.9742 121.3942 64.9744 31.1323 178.1679 21 E 4.0062 7.7119 118.1040 58.7163 29.4056 179.1214 22 V 3.1375 7.5394 118.5182 65.8523 31.2546 178.1689 23 L 3.9057 7.6043 117.7038 57.4902 41.5134 179.2532 24 R 3.9468 7.6350 117.7177 59.6195 30.2580 178.2489 25 Q 3.9698 8.1841 116.1074 55.9321 30.0219 175.9531 26 Q 3.2108 7.6107 118.4398 56.0708 26.7418 172.4591 27 P 4.2994 0.0000 0.0000 61.8754 32.6308 175.6414 28 P 4.2079 0.0000 0.0000 64.6011 31.7620 176.3929 29 D 4.8502 7.8415 117.7909 52.3795 42.8422 176.4897 30 L 4.2378 8.4917 128.2993 57.6580 41.8491 179.6916 31 V 3.6685 7.9699 117.9595 66.0346 31.6769 177.4772 32 D 4.4495 8.6862 118.8626 57.6439 40.6682 178.7361 33 F 4.3571 8.5709 120.6776 61.1745 39.3466 176.9533 34 A 3.9755 8.3136 120.4579 55.1231 18.2083 179.6674 35 V 3.6076 7.6984 116.1872 66.2771 31.6077 178.1399 36 E 3.9026 8.1871 118.1476 59.4838 29.2598 178.6759 37 Y 3.5992 8.0178 119.9523 60.7580 38.7511 178.2750 38 F 4.0541 8.1190 118.3815 60.3247 38.9463 177.9580 39 T 3.8423 7.9044 115.8057 66.7675 68.2097 176.8038 40 R 3.9782 7.7833 119.9055 58.9381 29.9494 178.7490 41 L 3.7003 7.6810 120.4830 58.0842 42.0370 178.9586 42 R 3.8450 8.0491 118.5552 59.5898 29.9946 178.2789 43 E 3.9311 8.1133 117.9940 59.3245 29.4602 179.1302 44 A 3.9579 8.2886 121.2007 55.1866 18.3436 179.6735 45 R 3.8967 8.3575 119.7920 60.2241 30.0878 179.6143 46 R 4.0463 8.1970 120.6257 61.3147 29.5082 180.7977 47 G 3.8376 8.2313 106.6030 47.7030 0.0000 175.8446 48 L 4.0238 7.6723 120.3056 57.7012 41.7653 179.2193 49 E 4.1778 8.4742 120.1757 60.2369 29.4210 179.4843 *50 H 4.4302 8.4418 121.0572 60.1276 28.1237 179.1341 *51 H 4.7603 7.9290 123.6918 57.1157 28.0691 178.3589 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 6 Q 8.34 4.32 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 7 I 7.87 3.88 1.88 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 1.47 0.57 0.92 0.00 0.00 8 P 0.00 4.43 0.00 2.21 2.17 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 P 0.00 4.35 0.00 2.06 2.06 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 10 G 8.97 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.89 3.92 0.00 1.75 1.79 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.89 3.93 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 E 8.21 3.97 0.00 2.27 2.10 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 2.43 2.47 0.00 14 L 7.99 4.18 0.00 2.09 1.95 1.11 0.72 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 15 L 8.18 4.31 0.00 1.84 1.82 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.57 4.17 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 17 G 8.33 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.70 2.86 0.00 2.49 3.08 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 19 T 7.78 3.57 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 20 V 7.97 3.57 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 0.85 0.00 0.00 0.91 0.00 0.00 21 E 7.71 4.01 0.00 1.99 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 2.49 2.65 0.00 22 V 7.54 3.14 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 0.83 0.00 0.00 0.32 0.00 0.00 23 L 7.60 3.91 0.00 1.73 1.64 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.64 3.95 0.00 1.84 1.89 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 25 Q 8.18 3.97 0.00 1.65 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 26 Q 7.61 3.21 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 27 P 0.00 4.30 0.00 2.02 1.52 0.00 3.51 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.59 0.00 28 P 0.00 4.21 0.00 2.06 2.14 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 29 D 7.84 4.85 0.00 2.75 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 30 L 8.49 4.24 0.00 1.87 1.87 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.97 3.67 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 32 D 8.69 4.45 0.00 2.98 3.04 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 0.00 0.00 0.00 33 F 8.57 4.36 0.00 3.26 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 34 A 8.31 3.98 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 35 V 7.70 3.61 2.25 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 1.05 0.00 0.00 1.01 0.00 0.00 36 E 8.19 3.90 0.00 2.19 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 2.37 2.45 0.00 37 Y 8.02 3.60 0.00 1.79 2.40 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 38 F 8.12 4.05 0.00 3.18 2.97 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 0.00 0.00 0.00 0.00 39 T 7.90 3.84 4.38 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 1.19 0.00 0.00 40 R 7.78 3.98 0.00 1.73 1.84 0.00 3.26 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 41 L 7.68 3.70 0.00 1.20 1.66 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.05 3.85 0.00 1.99 2.07 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 43 E 8.11 3.93 0.00 2.17 1.95 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 2.31 2.30 0.00 44 A 8.29 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.90 0.00 1.87 2.09 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 46 R 8.20 4.05 0.00 1.87 1.92 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 47 G 8.23 3.84 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 0.00 0.00 0.00 48 L 7.67 4.02 0.00 1.83 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.47 4.18 0.00 1.97 2.01 0.00 0.00 0.00 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 2.40 0.00 *50 H 8.44 4.43 0.00 3.00 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 H 7.93 4.76 0.00 3.04 2.86 0.00 7.20 0.00 0.00 0.00 0.00 6.98 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.