NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6408 8.1293 118.3209 57.6145 38.9013 173.8130 2 P 4.3471 0.0000 0.0000 62.7227 33.7662 174.3670 3 S 3.7188 9.2662 113.1603 59.7351 60.0364 172.9036 4 K 4.0717 8.1836 122.4615 58.6195 32.4770 176.8379 5 P 4.2920 0.0000 0.0000 62.8291 29.5995 173.4677 6 D 4.1809 8.4995 123.0310 54.9215 37.7956 173.5824 7 N 4.6070 8.2642 119.8929 51.5080 38.4044 174.5296 8 P 4.5879 0.0000 0.0000 64.1986 33.3803 175.3149 9 G 4.7554 7.5009 106.4172 47.3017 0.0000 173.0681 10 E 4.3839 8.4437 118.2956 55.8607 31.9917 176.7616 11 D 4.7147 7.5009 118.9974 54.4196 42.7853 175.1625 12 A 4.3199 7.2753 128.7673 51.1561 21.3782 173.5473 13 P 4.5480 0.0000 0.0000 63.3272 31.7273 175.6895 14 A 4.2001 8.8597 124.4423 52.9954 16.5625 179.5736 15 E 4.3520 7.8892 111.3542 57.0870 30.4095 176.2785 16 D 4.8140 7.4794 113.6235 55.7176 42.7311 177.4489 17 L 4.2583 7.9821 120.0085 57.4345 42.0720 178.5000 18 A 4.1965 7.5993 118.2251 55.5005 18.5000 179.8017 19 R 4.0007 7.8064 115.0008 58.9311 29.7586 177.7629 20 Y 4.4517 8.0623 117.9826 58.5430 38.8743 176.1040 21 Y 4.2096 7.7072 115.3879 59.8936 39.0583 177.3174 22 S 4.3818 8.9299 116.3815 61.0002 63.1008 176.1291 23 A 4.2946 7.7128 122.3889 54.1094 18.4979 178.9510 24 L 4.2104 7.2950 119.0074 57.2403 41.9244 178.8529 25 R 3.9329 7.6066 117.4885 59.8673 30.1535 177.7007 26 H 4.1715 8.2457 115.9037 58.8304 29.5983 176.0288 27 Y 4.4300 8.1827 121.5446 60.5473 38.6493 177.1805 28 I 3.2549 7.4343 119.6225 63.0051 36.9991 177.4817 29 N 3.9128 8.3916 118.0632 56.5645 38.6912 176.1715 30 L 4.3187 7.4387 117.8916 55.4879 41.7804 176.7952 31 A 4.0404 8.3438 117.6535 51.7377 22.0084 175.8831 *33 R 4.4995 8.2987 122.2948 56.8643 32.1271 177.9571 34 Q 4.2407 8.2517 117.3320 58.7811 28.9220 176.8333 35 R 4.6260 7.8400 115.2055 55.9320 30.6651 175.5038 36 Y 4.3876 8.3354 125.5702 58.0029 39.0666 174.3628 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 Y 8.13 4.64 0.00 2.98 2.99 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 0.00 0.00 0.00 2 P 0.00 4.35 0.00 2.27 2.11 0.00 3.91 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 3 S 9.27 3.72 0.00 4.07 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 4 K 8.18 4.07 0.00 1.76 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.44 7.81 5 P 0.00 4.29 0.00 2.18 2.11 0.00 3.85 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 1.99 1.99 0.00 6 D 8.50 4.18 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.26 4.61 0.00 2.84 3.05 0.00 0.00 6.34 7.76 0.00 0.00 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 P 0.00 4.59 0.00 2.21 2.15 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 9 G 7.50 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.44 4.38 0.00 1.93 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 2.20 2.25 0.00 11 D 7.50 4.71 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.28 4.32 1.23 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 0.00 0.00 13 P 0.00 4.55 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 14 A 8.86 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.89 4.35 0.00 2.00 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 2.34 0.00 16 D 7.48 4.81 0.00 2.95 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.26 0.00 1.88 1.87 0.87 1.52 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 18 A 7.60 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.00 0.00 2.13 2.06 0.00 3.31 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 20 Y 8.06 4.45 0.00 3.02 2.99 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 0.00 0.00 0.00 21 Y 7.71 4.21 0.00 3.31 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.38 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.29 4.21 0.00 1.57 1.59 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.61 3.93 0.00 2.00 1.93 0.00 3.18 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 26 H 8.25 4.17 0.00 3.20 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.18 4.43 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.43 3.25 1.81 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.79 0.00 0.00 29 N 8.39 3.91 0.00 2.74 2.98 0.00 0.00 7.05 8.37 0.00 0.00 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 7.44 4.32 0.00 1.76 1.69 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.34 4.04 1.08 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 0.00 0.00 *33 R 8.30 4.50 0.00 2.00 2.20 0.00 3.16 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 34 Q 8.25 4.24 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.56 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 35 R 7.84 4.63 0.00 1.85 1.95 0.00 3.40 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 36 Y 8.34 4.39 0.00 2.74 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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.