NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4540 8.4045 118.7933 53.6600 32.7641 176.1328 2 K 4.2582 7.9090 121.6589 55.1086 36.8942 176.1740 3 E 3.7735 7.9137 118.1859 55.0955 32.0458 175.4805 4 G 4.1218 8.7707 109.7100 45.4409 0.0000 172.4183 5 I 4.6257 7.9360 122.1680 60.2541 39.4389 177.1098 *6 H 5.1451 7.9320 116.4726 55.0146 28.6550 177.5437 7 P 5.1744 0.0000 0.0000 63.8565 31.4848 175.8399 8 K 4.5732 8.9693 119.1809 55.7370 36.9574 177.3663 9 L 4.2892 8.9241 120.8666 55.4657 41.9392 180.1146 10 V 3.4956 9.5075 118.5429 62.8990 30.1337 174.9805 11 P 4.5197 0.0000 0.0000 64.9958 31.4400 179.5649 12 A 4.2087 7.6881 122.0266 55.4926 19.4074 180.2716 13 R 4.6172 7.1263 119.1900 55.7516 28.6656 185.0000 14 I 3.9395 8.5571 116.0844 60.4250 34.0860 175.9926 15 I 3.7130 8.0190 123.1523 61.4150 35.9022 178.6602 16 C 4.4032 9.0252 125.9047 54.6977 39.5702 172.2340 17 G 4.0101 8.4680 109.3318 45.1612 0.0000 176.2262 18 C 4.4543 7.8627 121.2983 54.8281 35.1877 174.2711 19 G 3.7428 8.0976 119.7351 46.1369 0.0000 175.1308 20 N 4.7934 8.4578 131.9325 52.0955 36.6582 174.9487 21 V 4.5557 7.5277 117.0141 61.0798 35.4434 179.6597 22 I 3.7095 7.3630 118.4967 62.9067 35.2183 183.1093 23 E 5.9800 8.1453 129.2525 57.6335 33.0720 182.8893 24 T 3.8017 9.0347 109.3325 63.2572 67.6515 175.2313 *25 Y 4.8108 8.2629 117.7716 59.7928 42.4378 177.8970 26 S 4.6919 8.0186 113.4709 58.6407 64.9756 176.8693 27 T 4.4292 8.0569 114.5192 62.7673 69.1159 179.6204 28 K 4.6261 7.4892 121.3364 54.2024 36.4914 180.0743 29 P 4.1267 0.0000 0.0000 64.5545 27.3460 177.1147 30 E 4.1231 7.9951 114.1255 57.4127 30.0092 180.0732 31 I 3.4878 7.9848 117.5064 62.1793 34.7457 179.0510 *32 Y 4.6414 7.3698 120.6677 58.5395 36.0566 182.7793 33 V 4.4074 8.5272 120.2322 61.6930 33.6908 173.6862 34 E 4.6821 8.1524 122.8565 54.9536 30.1798 175.9591 35 V 3.6286 8.9084 120.6456 63.7067 30.7327 177.1680 36 C 4.2589 8.4068 125.7652 55.5556 40.5155 171.0571 37 S 4.5473 9.2157 114.9401 60.4858 63.4279 171.2818 38 K 4.6703 8.7676 124.3359 55.7865 34.5346 179.9505 39 C 4.6439 9.1581 114.3176 57.6005 40.5628 169.9610 *40 H 4.1024 8.2984 129.1335 53.5548 25.9929 174.4064 41 P 4.6428 0.0000 0.0000 62.1890 31.6815 173.3453 *42 F 4.1752 9.1397 128.7755 57.8251 36.6549 174.6383 *43 Y 4.1216 7.3741 122.0129 60.6013 37.0643 181.3121 44 T 4.3290 7.5745 111.0520 60.7950 68.0807 178.2240 45 G 3.9108 8.6663 117.3863 46.6885 0.0000 175.6909 46 Q 4.5523 8.3030 128.9568 55.4084 29.6226 178.0508 47 Q 4.1297 8.7933 118.0573 59.3191 28.1485 181.1375 48 R 4.7284 8.2872 117.4206 56.3059 32.0360 181.0156 *49 F 4.3222 8.6008 119.6738 58.6534 41.7252 174.7823 *50 V 3.9936 8.4515 114.1806 62.9106 32.1236 171.1922 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 M 8.40 4.45 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 K 7.91 4.26 0.00 1.79 1.56 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.07 7.81 3 E 7.91 3.77 0.00 2.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 4 G 8.77 4.12 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 0.00 0.00 0.00 5 I 7.94 4.63 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 1.27 0.87 0.91 0.00 0.00 *6 H 7.93 5.15 0.00 2.91 2.45 0.00 7.12 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 5.17 0.00 2.01 1.12 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 8 K 8.97 4.57 0.00 1.72 1.56 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.97 7.81 9 L 8.92 4.29 0.00 1.55 1.35 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.51 3.50 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 0.82 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.52 0.00 1.99 2.07 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.58 0.00 12 A 7.69 4.21 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 13 R 7.13 4.62 0.00 1.80 1.09 0.00 3.28 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 14 I 8.56 3.94 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 1.27 1.10 0.91 0.00 0.00 15 I 8.02 3.71 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 1.27 1.09 0.91 0.00 0.00 16 C 9.03 4.40 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.86 4.45 0.00 2.75 2.96 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 0.00 0.00 0.00 19 G 8.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.46 4.79 0.00 2.76 2.69 0.00 0.00 6.55 7.67 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 21 V 7.53 4.56 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 0.70 0.00 0.00 0.93 0.00 0.00 22 I 7.36 3.71 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 1.16 1.09 0.91 0.00 0.00 23 E 8.15 5.98 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 24 T 9.03 3.80 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 *25 Y 8.26 4.81 0.00 2.26 2.14 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 26 S 8.02 4.69 0.00 3.56 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.43 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 28 K 7.49 4.63 0.00 1.70 1.53 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.98 7.81 29 P 0.00 4.13 0.00 2.09 2.02 0.00 3.70 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 1.94 1.56 0.00 30 E 8.00 4.12 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 31 I 7.98 3.49 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 1.16 0.97 0.91 0.00 0.00 *32 Y 7.37 4.64 0.00 2.31 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 4.41 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 0.88 0.00 0.00 0.93 0.00 0.00 34 E 8.15 4.68 0.00 1.93 1.12 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 2.11 1.82 0.00 35 V 8.91 3.63 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 0.86 0.00 0.00 0.93 0.00 0.00 36 C 8.41 4.26 0.00 2.84 2.98 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 37 S 9.22 4.55 0.00 3.59 3.39 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 38 K 8.77 4.67 0.00 1.70 0.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 0.99 7.81 39 C 9.16 4.64 0.00 2.68 2.96 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 0.00 0.00 0.00 *40 H 8.30 4.10 0.00 3.01 3.14 0.00 7.15 0.00 0.00 0.00 0.00 6.92 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 4.64 0.00 2.08 1.86 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 *42 F 9.14 4.18 0.00 2.47 2.35 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 *43 Y 7.37 4.12 0.00 2.23 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 0.00 0.00 0.00 0.00 44 T 7.57 4.33 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 45 G 8.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.30 4.55 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.97 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 47 Q 8.79 4.13 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 48 R 8.29 4.73 0.00 1.76 0.76 0.00 3.28 0.00 0.00 3.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 *49 F 8.60 4.32 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 V 8.45 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.