NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4520 8.2929 117.0992 58.2102 64.7440 176.1856 *10 Y 4.1103 7.6097 122.1021 60.2228 36.3797 177.8446 11 A 4.1906 8.2929 122.0510 55.4934 18.8830 179.0454 12 A 4.0942 8.0390 121.3997 56.0148 18.6694 179.9698 *13 Y 3.9970 7.7795 120.6123 62.5215 36.7650 181.2096 14 L 4.3693 7.9048 125.1009 60.0017 40.9784 183.1743 15 N 4.7631 7.8993 119.8808 57.7627 37.5004 182.3537 16 V 3.8670 7.9316 120.1812 66.1082 31.8552 181.3691 17 A 4.3254 7.7275 119.9832 54.6460 18.4801 179.3794 18 A 4.2095 7.9779 122.2417 55.8697 18.1927 180.3847 19 Q 4.0920 7.8925 114.5171 57.2364 29.2431 179.7865 20 A 5.0378 7.6999 126.2162 51.1217 16.3295 177.1168 21 I 4.5153 7.2229 120.6913 58.1372 39.3106 178.2287 22 R 4.5082 8.3540 126.5177 53.7669 30.0682 171.6984 *33 S 4.6423 8.3775 121.4987 58.1997 64.8026 177.7186 34 V 4.4206 7.1538 118.1430 60.4770 33.2438 177.3954 35 L 4.1135 8.1281 126.6630 58.3721 41.1282 181.6539 36 N 4.7032 8.2231 115.1737 54.5620 37.8352 182.3103 37 R 4.0170 7.7926 118.4889 60.3844 29.5506 183.8206 38 S 4.5656 7.6723 112.6291 59.1012 62.8212 178.3188 39 Q 4.6563 7.4691 120.5049 55.6722 29.4178 181.4671 40 T 4.6499 8.1661 113.2584 60.5723 72.3812 174.4009 41 D 5.0676 8.6474 125.6933 52.1683 41.0028 173.6841 42 A 4.7958 8.1488 125.3678 51.4479 21.5134 177.1251 *43 F 4.8442 8.5265 122.4908 55.3527 42.0138 171.9608 *44 Y 4.4728 8.3838 123.0485 57.0904 37.8905 177.2219 45 T 4.3119 8.1471 114.8716 60.5023 69.6162 172.1239 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 S 8.29 4.45 0.00 3.67 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 *10 Y 7.61 4.11 0.00 2.39 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 0.00 0.00 0.00 11 A 8.29 4.19 1.32 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 0.00 0.00 0.00 0.00 0.00 12 A 8.04 4.09 1.32 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 0.00 0.00 0.00 0.00 0.00 *13 Y 7.78 4.00 0.00 2.37 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 0.00 0.00 0.00 14 L 7.90 4.37 0.00 1.63 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.90 4.76 0.00 2.76 2.84 0.00 0.00 7.04 7.55 0.00 0.00 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 V 7.93 3.87 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 0.92 0.00 0.00 0.93 0.00 0.00 17 A 7.73 4.33 1.32 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 0.00 0.00 0.00 0.00 0.00 18 A 7.98 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 19 Q 7.89 4.09 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 20 A 7.70 5.04 1.34 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 0.00 0.00 0.00 21 I 7.22 4.52 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 22 R 8.35 4.51 0.00 1.76 1.70 0.00 3.26 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 *33 S 8.38 4.64 0.00 3.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.42 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 0.59 0.00 0.00 0.93 0.00 0.00 35 L 8.13 4.11 0.00 1.57 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.22 4.70 0.00 2.64 2.84 0.00 0.00 7.05 7.66 0.00 0.00 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 R 7.79 4.02 0.00 1.78 1.88 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 38 S 7.67 4.57 0.00 3.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.66 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.49 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 40 T 8.17 4.65 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 41 D 8.65 5.07 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.80 1.21 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 0.00 0.00 *43 F 8.53 4.84 0.00 2.26 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 0.00 0.00 0.00 *44 Y 8.38 4.47 0.00 2.32 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 0.00 0.00 0.00 45 T 8.15 4.31 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 * Residues marked with a * may have inaccurate shift predictions.