NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2893 8.0333 115.2393 62.1084 69.0817 175.7607 6 D 4.4383 8.0757 121.0065 57.1391 40.8085 176.3870 7 D 4.4032 8.8128 117.2636 55.4082 41.8724 175.2153 8 L 4.6204 6.8263 116.6013 54.8663 44.0642 175.7087 9 E 4.5632 8.9621 120.1071 55.7945 30.9020 175.7870 10 V 4.5569 8.0849 121.9869 60.4907 35.6768 174.2217 11 A 4.3361 8.5359 127.4964 51.7168 18.5539 176.8807 12 C 3.9160 8.9593 123.3808 59.2161 31.7635 172.7625 13 P 4.3615 0.0000 0.0000 65.0649 31.3642 177.7043 14 K 4.1290 8.1359 120.0713 58.8687 32.3917 178.5228 15 C 4.5617 7.5019 111.6875 61.7293 30.0354 172.9924 16 E 3.6174 7.5973 115.3011 59.5188 28.2982 175.5066 *26 C 4.2896 7.5332 123.3245 58.5600 32.7811 172.6395 27 P 4.2719 0.0000 0.0000 65.3478 31.4754 178.5030 28 A 4.1082 8.2067 120.5658 54.6084 18.0705 177.6505 29 C 4.5845 8.0062 107.7632 57.1926 30.8986 173.7251 30 S 3.4270 8.3474 114.4496 59.9640 59.2316 173.4163 31 G 4.0146 8.0550 107.7528 45.6266 0.0000 176.2928 32 K 4.0351 7.6643 118.9255 57.5305 32.1925 179.2827 33 G 4.0786 8.5736 106.5327 45.4833 0.0000 173.8727 34 V 4.5854 7.0983 117.3290 61.4205 35.4836 174.9613 35 I 4.4450 7.9354 134.0225 61.1633 38.8790 175.7445 36 L 4.4779 8.1281 126.6851 54.9226 45.0955 175.1522 37 T 4.2418 8.7312 114.0707 60.7509 70.6601 175.6957 38 A 4.1819 8.7472 122.9254 55.6500 18.3474 179.4272 39 Q 3.9846 8.2408 117.5501 59.2779 28.9656 178.6743 40 G 3.4479 7.7942 106.0996 47.9939 0.0000 174.8631 41 Y 4.3465 7.4728 119.8589 60.9528 38.0442 178.7710 42 T 4.1958 8.2012 116.7383 67.0171 68.5386 176.3360 43 L 3.9922 7.7920 119.7414 57.7065 41.6304 179.3180 44 L 4.0057 8.0692 120.2018 58.4275 42.0786 178.6791 45 D 4.4118 9.0725 119.9016 57.2931 40.3756 178.6154 46 F 4.0152 8.2141 120.5742 61.5002 39.4357 177.3612 47 I 3.7789 8.3416 119.7158 64.3867 36.7253 178.1917 48 Q 3.9649 8.2695 119.8966 59.0577 28.9825 177.9783 49 K 4.0605 7.9593 119.2046 58.4366 32.3275 176.7991 50 H 4.6676 7.2107 113.0783 55.2334 30.8021 174.1293 51 L 3.9962 7.8643 121.6466 55.8637 42.5325 176.4122 52 N 4.5603 8.7220 120.7311 53.9625 38.5644 174.1696 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 5 T 8.03 4.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 6 D 8.08 4.44 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.40 0.00 2.64 2.68 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 8 L 6.83 4.62 0.00 1.44 1.50 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.96 4.56 0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 10 V 8.08 4.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 11 A 8.54 4.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.96 3.92 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 8.14 4.13 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 C 7.50 4.56 0.00 3.10 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 16 E 7.60 3.62 0.00 2.10 2.39 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 2.29 2.25 0.00 *26 C 7.53 4.29 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.22 2.08 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.21 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.01 4.58 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 3.43 0.00 4.12 3.99 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 31 G 8.06 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 32 K 7.66 4.04 0.00 1.96 1.96 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.56 7.81 33 G 8.57 4.08 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 0.00 34 V 7.10 4.59 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 0.89 0.00 0.00 0.97 0.00 0.00 35 I 7.94 4.44 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 1.24 0.53 0.97 0.00 0.00 36 L 8.13 4.48 0.00 1.00 0.13 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.73 4.24 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 38 A 8.75 4.18 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 39 Q 8.24 3.98 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 40 G 7.79 3.45 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 0.00 41 Y 7.47 4.35 0.00 3.24 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 42 T 8.20 4.20 4.46 0.00 0.00 0.00 0.00 0.00 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 43 L 7.79 3.99 0.00 1.69 1.73 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.07 4.01 0.00 1.82 2.00 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.07 4.41 0.00 2.87 2.77 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 0.00 0.00 0.00 46 F 8.21 4.02 0.00 3.34 3.27 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 47 I 8.34 3.78 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.81 0.99 0.00 0.00 48 Q 8.27 3.96 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 49 K 7.96 4.06 0.00 1.92 1.66 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 50 H 7.21 4.67 0.00 3.01 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.86 4.00 0.00 1.89 1.57 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.72 4.56 0.00 2.89 2.78 0.00 0.00 6.82 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 * Residues marked with a * may have inaccurate shift predictions.