NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.7736 8.3033 117.8439 55.9782 30.5113 173.0942 -3 T 3.7663 8.4540 115.3864 66.3586 67.7309 174.4856 -2 L 4.1380 8.1597 121.3646 56.8525 42.5726 177.9135 -1 K 4.1541 7.9358 119.4162 59.3048 32.4852 178.6227 0 T 3.8827 7.7662 115.3194 66.6547 68.6010 176.5825 1 A 4.0957 7.8688 122.1485 55.2440 18.3307 179.4582 2 N 4.4061 7.9766 113.9486 56.5147 38.7257 177.9348 3 S 4.1997 8.2074 116.6593 61.3327 62.8505 176.1785 4 Y 3.9837 8.1221 122.4864 61.1575 38.6664 177.9080 5 T 3.8662 8.0722 116.6578 66.9468 68.4371 176.3147 6 D 4.3401 8.2820 120.6981 57.0741 40.7635 179.0158 7 V 3.4844 7.6322 118.6857 66.4321 31.1000 178.2863 8 T 3.6725 7.5732 115.4218 66.3321 68.0639 176.9235 9 V 3.5054 7.7718 120.1828 65.9820 31.4861 177.6244 10 S 4.0471 8.1140 113.2367 61.9888 62.1691 176.3064 11 N 4.3287 8.3372 118.5473 55.8177 38.1402 177.6054 12 S 4.0269 7.5569 113.9124 61.6117 62.6671 175.9088 13 T 3.8455 8.0965 118.7983 66.8195 68.2534 176.5866 14 K 3.9364 7.7167 120.0214 59.3214 31.9967 179.3412 15 K 3.9033 8.1843 119.6379 59.3334 32.0518 178.7225 16 A 3.9405 8.4133 121.3971 55.3876 18.3771 179.7002 17 I 3.6625 7.6504 118.2278 64.3008 37.0906 178.8331 18 R 3.8506 7.9182 119.5597 59.5163 30.1441 178.2225 19 E 3.9804 8.3393 118.6089 59.7414 29.4272 179.7437 20 S 4.1683 8.4765 115.4039 61.6886 62.8728 176.5206 21 N 4.3699 8.3810 119.2143 56.2867 38.2005 177.4395 22 Q 3.9899 8.1931 119.6800 58.9027 28.7233 178.1749 23 Y 3.8888 7.7825 119.9722 61.1086 38.8725 178.1605 24 T 3.9137 8.2198 116.6263 66.8980 68.5371 176.1617 25 D 4.4035 8.5141 121.0025 57.7434 40.8358 178.7788 26 H 4.1521 8.1605 116.5133 58.9347 28.8617 178.0883 27 K 3.9332 7.8508 120.2694 59.1764 31.7136 179.3283 28 F 4.1456 8.5100 121.1210 61.5705 39.4054 176.6490 29 H 3.9933 8.6240 115.9708 59.2192 28.4442 177.3917 30 Q 3.9548 8.0080 119.4687 59.2620 28.6179 179.2402 31 L 3.9624 7.7110 120.3477 57.7665 42.0868 178.6222 32 E 3.7238 8.1952 119.1996 59.2209 29.0876 178.8782 33 N 4.2329 8.4303 116.8579 56.5459 38.5373 177.4898 34 R 3.8791 7.6176 119.8423 59.0903 30.0942 178.6341 35 L 3.9602 7.8894 119.0020 57.8096 41.5808 178.7281 36 D 4.2954 8.0675 118.7372 57.4573 40.8044 178.7838 37 K 3.8253 7.6645 118.4104 59.9166 32.2093 179.1386 38 L 3.9592 7.6021 118.7208 57.6774 41.4425 179.0523 39 E 3.8824 8.5579 119.6044 59.2574 29.5183 178.6663 40 K 3.8263 8.2534 119.6933 59.6045 32.1634 178.5766 41 R 3.8449 7.9330 118.6511 59.4077 29.9771 178.1878 42 L 3.9569 7.9244 118.7248 57.9597 41.6468 179.5749 43 L 3.9719 8.1793 118.8828 57.8094 41.5779 179.6068 44 K 3.9024 8.1603 118.3614 59.7189 32.0375 179.3318 45 L 4.2255 8.0439 120.4331 56.8385 41.5651 179.4573 46 L 4.0209 8.3798 119.4137 57.4548 41.4938 179.4023 47 A 3.9843 7.9675 121.1561 55.0094 18.1717 179.8654 48 S 4.0293 8.0564 113.0576 61.6597 63.1169 176.6019 49 S 4.1050 8.1183 118.4904 60.8526 62.4440 176.3237 50 A 3.9195 8.1699 124.1695 54.8014 18.3213 179.3959 51 A 3.9141 7.9807 119.2921 55.2994 18.1909 179.6147 52 L 3.9404 8.1159 118.2853 58.1687 42.2749 178.7899 53 N 4.5361 8.4849 119.1366 57.1892 38.3600 178.2529 54 S 4.1876 8.0928 118.7736 63.3437 62.3900 178.0903 55 L 4.2529 7.7420 123.1047 57.9930 41.3761 177.8938 *56 F 4.4211 7.6421 121.2368 56.7851 38.7309 178.4268 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 -4 H 8.30 4.77 0.00 3.21 3.32 0.00 5.59 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 -3 T 8.45 3.77 4.25 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 1.21 0.00 0.00 -2 L 8.16 4.14 0.00 1.76 1.67 0.96 0.54 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 -1 K 7.94 4.15 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 0 T 7.77 3.88 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 1.22 0.00 0.00 1 A 7.87 4.10 1.39 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 0.00 0.00 2 N 7.98 4.41 0.00 2.96 2.89 0.00 0.00 6.96 7.45 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 3 S 8.21 4.20 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.12 3.98 0.00 3.19 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 5 T 8.07 3.87 4.43 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 1.22 0.00 0.00 6 D 8.28 4.34 0.00 2.68 2.69 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 0.00 0.00 0.00 7 V 7.63 3.48 2.03 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 1.04 0.00 0.00 1.01 0.00 0.00 8 T 7.57 3.67 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 1.07 0.00 0.00 9 V 7.77 3.51 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 1.05 0.00 0.00 0.91 0.00 0.00 10 S 8.11 4.05 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.33 0.00 2.71 2.81 0.00 0.00 6.77 7.51 0.00 0.00 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 S 7.56 4.03 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 3.85 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 1.19 0.00 0.00 14 K 7.72 3.94 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 15 K 8.18 3.90 0.00 1.81 2.02 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 16 A 8.41 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.66 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.90 0.00 0.00 18 R 7.92 3.85 0.00 2.00 2.06 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 19 E 8.34 3.98 0.00 2.16 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 2.33 2.36 0.00 20 S 8.48 4.17 0.00 3.83 3.90 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 21 N 8.38 4.37 0.00 2.99 2.85 0.00 0.00 7.04 7.36 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 22 Q 8.19 3.99 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 23 Y 7.78 3.89 0.00 3.06 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 24 T 8.22 3.91 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 D 8.51 4.40 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.15 0.00 3.16 3.22 0.00 5.64 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 27 K 7.85 3.93 0.00 1.72 1.80 0.00 1.66 0.00 0.00 1.28 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 1.12 7.81 28 F 8.51 4.15 0.00 3.15 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.62 3.99 0.00 3.40 3.35 0.00 5.71 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 30 Q 8.01 3.95 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 31 L 7.71 3.96 0.00 1.72 1.53 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.20 3.72 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 33 N 8.43 4.23 0.00 2.80 2.83 0.00 0.00 6.67 7.58 0.00 0.00 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 R 7.62 3.88 0.00 1.92 1.96 0.00 3.07 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 35 L 7.89 3.96 0.00 1.97 1.62 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.07 4.30 0.00 2.80 2.69 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 0.00 0.00 0.00 37 K 7.66 3.83 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.68 7.81 38 L 7.60 3.96 0.00 1.84 1.70 0.90 0.79 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 39 E 8.56 3.88 0.00 2.06 2.25 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 2.29 2.36 0.00 40 K 8.25 3.83 0.00 2.00 1.95 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 41 R 7.93 3.84 0.00 1.92 1.89 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 42 L 7.92 3.96 0.00 2.00 1.71 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.18 3.97 0.00 1.87 1.71 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.16 3.90 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 45 L 8.04 4.23 0.00 1.89 1.70 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.38 4.02 0.00 1.84 1.71 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.97 3.98 1.39 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 0.00 0.00 48 S 8.06 4.03 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.12 4.11 0.00 4.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 3.92 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.98 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.12 3.94 0.00 1.85 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.48 4.54 0.00 3.01 2.84 0.00 0.00 7.11 8.07 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 54 S 8.09 4.19 0.00 3.69 3.79 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 55 L 7.74 4.25 0.00 1.81 1.76 0.95 0.62 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 *56 F 7.64 4.42 0.00 1.99 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 * Residues marked with a * may have inaccurate shift predictions.