NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3334 8.0433 122.7544 54.9210 43.7903 175.1475 10 L 4.6605 8.4594 125.8851 51.7820 43.3204 174.2623 11 L 4.7316 9.4397 123.1123 54.7461 44.8176 174.0866 12 E 5.0616 8.8382 118.8634 55.0276 33.2059 174.6035 13 C 4.9983 8.6588 118.3160 58.4103 31.2541 172.9913 14 T 4.7633 8.0742 118.3701 58.5811 69.1509 174.4656 15 E 3.7499 8.3347 128.8186 61.5184 26.7298 180.1050 16 C 3.8226 7.5365 109.3673 61.0839 28.0104 174.2181 17 K 4.2577 8.4190 133.0465 56.0669 29.3957 177.3270 18 R 4.5321 6.3705 115.7908 56.7958 36.0661 173.8293 19 R 4.2176 9.1501 116.5288 56.9100 28.8861 180.7254 20 N 3.8538 8.5094 112.0618 52.4123 39.6997 171.4985 21 Y 5.9249 8.6144 120.8490 56.0677 42.3098 174.3044 22 A 4.5142 8.5684 118.9040 51.2263 22.8173 175.8555 23 T 3.6438 8.3134 103.1202 62.7787 69.2573 170.4646 24 E 4.5828 9.1058 128.9508 55.0406 34.0379 174.5894 25 K 5.0346 8.6380 125.3772 56.2555 35.3857 175.7867 26 N 5.1328 8.4677 123.9946 50.5624 41.0138 174.1088 27 K 4.4374 8.2115 115.3957 57.8036 32.8285 182.8597 28 R 3.1107 8.0390 114.3104 56.5899 31.0774 177.3401 29 N 3.6764 6.6877 119.3988 58.4529 40.3212 177.0454 30 T 4.0580 8.1548 106.3812 61.5162 69.8229 171.8961 31 P 4.0456 0.0000 0.0000 61.5562 29.0662 174.2024 32 N 4.2947 7.8457 115.6437 51.8372 42.5878 173.8343 33 K 4.6252 9.5481 135.0000 57.2344 33.3193 173.5138 34 L 3.6238 7.8465 125.7464 54.5940 37.6521 174.6460 35 E 3.9646 7.6934 120.6436 56.0682 30.6444 175.7552 36 L 5.1080 8.0983 125.7339 55.6497 41.5801 174.2404 37 R 4.7235 8.1950 123.5390 53.7695 33.4701 174.5707 38 K 4.2601 8.6630 126.1334 56.7820 32.7434 175.1137 39 Y 4.8920 8.3531 127.7441 56.4227 42.8132 173.1099 40 C 4.3207 6.2493 121.0419 56.4617 33.2589 170.9513 41 P 4.9550 0.0000 0.0000 60.6160 33.3644 174.8658 42 W 4.9181 8.6656 128.0487 59.7285 31.2007 176.8210 43 C 4.2218 7.9841 119.1688 59.1673 28.7844 168.8220 44 R 3.5808 7.6176 124.5153 55.2555 28.5113 175.3253 45 K 4.0572 8.1419 124.4100 56.1814 33.1383 175.6082 46 H 4.8584 8.6766 116.2145 54.2176 31.3898 174.4628 47 T 3.4828 8.5416 105.7855 62.8088 64.6172 172.2529 48 V 4.2463 7.4921 114.6509 61.1382 33.4412 175.4146 49 H 4.6916 7.9119 115.1730 55.7948 29.0610 172.4755 50 R 4.6021 8.9976 120.6684 55.0302 30.3611 178.3630 51 E 5.6641 8.7135 123.9582 57.6399 31.8302 176.0166 52 V 4.3266 7.9673 120.5630 62.3689 35.0118 175.3244 *53 K 4.1303 8.5167 121.4601 54.9471 32.3038 171.3802 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 9 L 8.04 4.33 0.00 1.71 1.75 1.01 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.46 4.66 0.00 1.62 1.56 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 L 9.44 4.73 0.00 1.85 1.71 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.84 5.06 0.00 2.27 2.32 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 2.29 2.40 0.00 13 C 8.66 5.00 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.07 4.76 3.44 0.00 0.00 0.00 0.00 0.00 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 15 E 8.33 3.75 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 16 C 7.54 3.82 0.00 3.16 3.25 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 0.00 0.00 0.00 0.00 17 K 8.42 4.26 0.00 1.79 2.31 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.32 7.81 18 R 6.37 4.53 0.00 2.00 1.90 0.00 3.17 0.00 0.00 3.27 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 19 R 9.15 4.22 0.00 2.06 1.39 0.00 3.11 0.00 0.00 3.26 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 20 N 8.51 3.85 0.00 2.92 3.01 0.00 0.00 6.63 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 21 Y 8.61 5.92 0.00 2.87 2.84 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 22 A 8.57 4.51 0.84 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 23 T 8.31 3.64 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 1.26 0.00 0.00 24 E 9.11 4.58 0.00 1.75 1.69 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 2.09 2.26 0.00 25 K 8.64 5.03 0.00 1.69 1.61 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.63 7.81 26 N 8.47 5.13 0.00 2.84 2.77 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.21 4.44 0.00 1.75 1.78 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.35 7.81 28 R 8.04 3.11 0.00 1.87 1.96 0.00 3.25 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 29 N 6.69 3.68 0.00 2.70 2.71 0.00 0.00 7.36 7.44 0.00 0.00 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 T 8.15 4.06 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 31 P 0.00 4.05 0.00 2.07 2.02 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 32 N 7.85 4.29 0.00 2.63 2.83 0.00 0.00 7.07 6.03 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 33 K 9.55 4.63 0.00 1.89 1.88 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.22 1.12 7.81 34 L 7.85 3.62 0.00 1.79 1.90 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.69 3.96 0.00 2.01 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 2.36 2.35 0.00 36 L 8.10 5.11 0.00 1.89 1.63 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.20 4.72 0.00 1.76 1.78 0.00 3.29 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 38 K 8.66 4.26 0.00 1.85 1.76 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 39 Y 8.35 4.89 0.00 2.64 2.21 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 0.00 40 C 6.25 4.32 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.96 0.00 2.32 2.06 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 42 W 8.67 4.92 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 4.22 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.62 3.58 0.00 1.92 1.93 0.00 3.32 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 45 K 8.14 4.06 0.00 1.79 1.80 0.00 1.87 0.00 0.00 2.03 0.00 0.00 3.50 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.48 7.81 46 H 8.68 4.86 0.00 3.25 3.26 0.00 5.50 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.54 3.48 4.47 0.00 0.00 0.00 0.00 0.00 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 48 V 7.49 4.25 2.12 0.00 0.00 0.00 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 0.95 0.00 0.00 49 H 7.91 4.69 0.00 3.54 3.25 0.00 6.07 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 9.00 4.60 0.00 1.64 1.42 0.00 3.53 0.00 0.00 3.93 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 51 E 8.71 5.66 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 52 V 7.97 4.33 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 0.82 0.00 0.00 1.10 0.00 0.00 *53 K 8.52 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.