NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5389 8.1627 118.3413 54.9505 33.5157 173.7861 2 K 4.5842 8.4872 122.4103 55.9567 33.6577 170.6607 3 V 5.0893 9.7963 120.9793 59.7314 37.0901 173.9532 4 I 4.8921 8.5906 123.6656 59.6803 39.2073 175.2342 5 F 4.5659 9.3794 127.6192 57.5344 39.2975 176.4212 6 L 4.6199 8.9069 123.8826 55.8405 42.4083 176.9046 7 K 4.7950 7.8997 116.1035 54.4609 36.3468 176.0051 8 D 4.5081 8.8026 122.5396 54.6477 41.4519 176.7238 9 V 4.3560 8.8116 122.4260 60.5798 33.1372 174.9101 10 K 3.9310 8.7491 126.9484 58.3664 32.1753 177.8268 11 G 4.0323 9.1969 111.8522 45.3199 0.0000 173.7587 12 K 4.3026 7.9167 116.6478 57.2590 34.8957 176.3354 13 G 2.8649 6.7635 104.3336 44.7763 0.0000 171.8609 14 K 4.8097 7.6778 118.5352 53.4382 34.9460 176.1606 15 K 4.1794 9.0363 123.2099 58.7125 32.3441 176.4777 16 G 4.1254 9.3060 114.9127 45.3231 0.0000 173.7907 17 E 4.2548 8.2840 119.3989 56.4401 30.8170 176.1653 18 I 5.1398 8.1825 123.9177 59.7256 39.3375 174.8894 19 K 4.5934 8.9295 125.0228 55.8048 36.3203 174.2039 20 N 5.1187 8.7434 120.1324 53.7494 39.6141 174.2480 21 V 4.7504 8.7762 117.9754 59.0025 36.6341 175.1887 22 A 4.0749 8.5822 124.3520 52.7184 18.9421 178.3573 23 D 4.4825 9.0918 122.9750 57.5936 40.9917 179.5575 24 G 3.6296 8.1143 105.5618 47.8818 0.0000 174.9891 25 Y 4.0754 7.9942 121.0567 60.3213 38.9300 177.3443 26 A 3.3392 8.0060 121.6683 55.1016 18.1922 179.4502 27 N 4.2354 7.8246 113.4843 56.4093 38.7950 177.0043 28 N 4.6535 8.0020 115.3410 54.2810 39.2132 174.7551 29 F 4.7810 7.5220 119.7961 59.1968 41.6213 176.5320 30 L 3.3827 7.5042 119.7954 57.7673 41.5222 179.4858 31 F 4.7026 7.7150 116.5501 60.5227 38.9233 177.4477 32 K 4.0613 8.0644 117.7960 59.1694 32.0086 177.1095 33 Q 4.1715 7.6508 116.0394 57.3743 30.1252 176.6026 *35 L 4.4380 7.5642 118.3011 54.5987 44.5799 175.6763 36 A 5.0212 7.6514 117.8035 50.7607 22.3204 175.1020 37 I 4.4679 8.3716 111.9378 58.4491 41.4618 174.5794 38 E 4.3074 8.0863 123.8912 56.6094 30.1930 176.9795 39 A 4.5579 8.7968 129.7957 50.8654 17.7842 176.4840 40 T 4.6837 7.8968 110.0434 58.7595 72.3982 174.0942 41 P 4.1884 0.0000 0.0000 65.8435 31.2822 178.8162 42 A 3.9907 7.9401 119.0427 55.2457 18.2350 179.3304 43 N 4.2926 8.2135 115.0161 56.2777 38.6322 177.6953 44 L 3.9693 8.1374 120.6545 57.5841 41.6318 179.4786 45 K 3.8845 8.2227 119.3256 59.5325 32.1775 178.7323 46 A 3.9909 8.0910 121.0537 55.0738 18.2123 179.3924 47 L 3.9371 8.3147 119.2766 58.2504 42.1318 179.0583 48 E 3.9821 8.3136 118.5372 59.1587 29.1231 179.1373 49 A 3.9908 7.6008 119.7642 55.4135 18.5666 179.5173 50 Q 4.0877 7.8359 115.3029 58.7661 28.7875 178.7622 51 K 4.1382 8.2485 119.5693 59.3389 32.2042 177.6008 52 Q 4.2946 8.0607 121.6251 56.1368 28.8952 175.7552 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 8.16 4.54 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 2 K 8.49 4.58 0.00 1.99 1.75 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.59 7.81 3 V 9.80 5.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.64 0.00 0.00 4 I 8.59 4.89 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 1.26 1.04 0.95 0.00 0.00 5 F 9.38 4.57 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.91 4.62 0.00 1.51 1.73 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.90 4.79 0.00 1.64 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.48 7.81 8 D 8.80 4.51 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.81 4.36 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 1.49 0.00 0.00 1.24 0.00 0.00 10 K 8.75 3.93 0.00 1.82 1.78 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 11 G 9.20 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.92 4.30 0.00 2.01 2.03 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.59 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.34 1.51 7.81 13 G 6.76 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 0.00 0.00 0.00 14 K 7.68 4.81 0.00 1.71 1.62 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.20 7.81 15 K 9.04 4.18 0.00 1.70 1.79 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 16 G 9.31 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 0.00 0.00 0.00 17 E 8.28 4.25 0.00 2.07 1.93 0.00 0.00 0.00 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 2.38 0.00 18 I 8.18 5.14 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 1.01 0.00 0.00 19 K 8.93 4.59 0.00 1.87 1.94 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.62 1.60 7.81 20 N 8.74 5.12 0.00 2.78 2.79 0.00 0.00 6.76 7.71 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 21 V 8.78 4.75 2.23 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 0.98 0.00 0.00 0.99 0.00 0.00 22 A 8.58 4.07 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 23 D 9.09 4.48 0.00 2.79 2.76 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 24 G 8.11 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.99 4.08 0.00 3.06 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 26 A 8.01 3.34 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.24 0.00 2.76 2.91 0.00 0.00 7.13 8.70 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 28 N 8.00 4.65 0.00 2.85 2.88 0.00 0.00 6.79 6.98 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 29 F 7.52 4.78 0.00 2.68 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 30 L 7.50 3.38 0.00 1.13 1.38 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.72 4.70 0.00 2.89 2.88 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 0.00 0.00 0.00 32 K 8.06 4.06 0.00 1.73 1.95 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 33 Q 7.65 4.17 0.00 1.67 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.35 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 *35 L 7.56 4.44 0.00 1.33 1.69 0.23 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.65 5.02 0.76 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 37 I 8.37 4.47 1.70 0.00 0.00 0.81 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 1.19 0.82 0.00 0.00 38 E 8.09 4.31 0.00 1.54 1.69 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 2.29 2.41 0.00 39 A 8.80 4.56 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 40 T 7.90 4.68 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 1.18 0.00 0.00 41 P 0.00 4.19 0.00 2.17 2.14 0.00 3.59 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 2.11 2.16 0.00 42 A 7.94 3.99 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 43 N 8.21 4.29 0.00 2.90 2.82 0.00 0.00 7.02 6.86 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 44 L 8.14 3.97 0.00 1.84 1.72 0.93 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 45 K 8.22 3.88 0.00 1.89 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 8.09 3.99 1.35 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 0.00 0.00 47 L 8.31 3.94 0.00 1.82 1.84 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.31 3.98 0.00 2.07 1.98 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 2.41 2.41 0.00 49 A 7.60 3.99 1.30 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 0.00 0.00 50 Q 7.84 4.09 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 51 K 8.25 4.14 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.74 7.81 52 Q 8.06 4.29 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.