NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4588 8.3044 118.1943 55.4835 32.5820 174.2439 2 E 4.4681 8.1099 117.7760 55.2745 32.7847 174.7255 3 L 4.2343 8.8565 127.7765 53.3994 41.6119 175.2798 *102 K 4.5685 7.6090 117.3395 56.3332 33.6148 175.6968 103 R 4.4582 8.3258 116.2459 56.5332 30.9823 174.7870 104 K 4.7171 8.3714 120.0511 57.3557 39.5157 177.8946 105 T 4.5133 7.7456 114.7868 63.9861 69.5817 176.6604 106 T 4.5940 7.9037 114.5217 63.5867 68.1832 174.6007 107 N 4.3237 8.0438 120.2029 56.4746 39.2076 175.6710 108 A 4.1561 7.9379 119.7888 53.2160 18.6973 178.3811 109 D 4.4316 7.5051 117.6241 56.1026 40.9956 178.6797 110 R 4.1222 7.7404 118.1072 58.0580 30.0590 178.8090 111 R 3.9250 7.7979 118.7581 59.0573 30.3871 177.6737 112 K 3.7868 7.5675 118.6219 59.6927 32.1457 178.4288 113 A 3.9678 7.8490 120.0548 55.2397 17.8644 179.5460 114 A 4.0306 7.7662 118.4053 55.2493 18.2568 179.7722 115 T 4.0449 8.0534 114.5032 66.4655 68.1026 177.1597 116 M 4.1085 8.0583 121.0067 58.3568 31.9114 178.9806 117 R 3.9692 8.1091 118.3635 58.9756 30.1517 178.5740 118 E 3.9112 7.8693 118.4946 59.4169 29.7876 178.8841 119 R 3.8784 7.8099 118.3973 59.5174 29.9410 178.7144 120 R 3.9955 7.6651 117.1650 58.8914 29.9848 178.8343 121 R 3.8893 8.3139 119.0675 59.2630 30.0088 178.3689 122 L 3.9346 8.2042 120.3470 58.3776 42.2874 178.6913 123 S 4.0833 7.9640 112.6586 61.5236 61.9932 176.2879 124 K 4.0936 7.9083 121.1286 58.9298 31.9457 179.4435 125 V 3.5820 7.5699 118.6401 65.9268 31.4103 177.9268 126 N 4.6536 8.6508 116.7258 56.4108 38.4450 176.9297 127 E 3.9708 8.1933 119.5799 59.7232 29.5431 179.5439 128 A 3.9687 7.7291 120.6192 55.1015 18.0842 179.6092 129 F 4.0783 7.9867 116.2574 60.6646 38.9238 177.4368 130 E 4.1454 8.3920 118.9311 59.2999 29.2915 178.7931 131 T 4.1112 7.6378 114.6141 66.1404 68.7068 176.1636 132 L 4.1001 7.9544 122.2804 57.2052 41.9261 178.9095 133 K 3.9103 7.5719 118.7635 59.4475 32.1042 178.6845 134 R 4.1172 8.2587 115.8263 57.9197 29.8904 177.5196 135 S 4.5072 7.2345 113.5987 61.1817 64.4410 175.8005 136 T 2.4800 7.9397 117.5610 65.3300 68.2024 175.3006 137 S 4.1969 7.3485 118.4270 58.9842 63.4069 174.3502 138 S 4.5296 8.3830 114.9789 57.7080 64.3504 173.9003 139 N 4.6818 7.8731 120.4140 51.4030 37.4398 172.2273 140 P 4.4245 0.0000 0.0000 65.0815 32.0769 178.8889 141 N 4.1771 8.1189 115.2111 55.7061 38.8509 175.4640 142 Q 4.3532 7.1346 116.4780 56.1708 30.6925 176.0026 143 R 4.6628 7.8717 112.1861 56.2999 31.1066 175.0239 144 L 4.1283 7.6167 122.1406 53.6883 43.5917 175.3271 145 P 4.4092 0.0000 0.0000 62.6419 33.3972 176.9178 146 K 3.5112 8.4291 118.0132 60.2294 31.9697 179.2257 147 V 3.6351 7.7402 118.4370 65.1783 30.9931 178.2760 148 E 3.9261 8.0401 118.4229 59.3144 29.4912 178.7846 149 I 3.6677 7.7635 119.8347 64.6726 36.6944 178.3736 150 L 4.0817 8.2365 119.5719 57.9298 41.6049 179.6758 151 R 4.1536 7.9966 117.5383 58.6181 30.1649 178.7303 152 N 4.3927 9.0551 117.2724 56.2599 38.6058 177.2544 153 A 4.2745 8.1523 122.2310 55.1115 18.3476 179.7776 154 I 3.8097 7.5335 117.6834 64.1354 37.0820 178.9301 155 R 4.0583 7.8698 118.8358 59.3050 30.1300 177.9553 156 Y 4.1662 8.4555 119.6446 61.0322 38.6430 178.3255 157 I 3.6044 7.8519 120.1901 64.5227 37.2542 177.9206 158 E 4.0651 7.9326 117.9551 59.6784 29.3139 179.9386 159 G 3.5091 8.0081 105.3103 48.0170 0.0000 175.8743 160 L 3.9935 7.4162 120.7444 56.4323 41.8392 179.2036 161 Q 4.0180 8.4737 120.2286 59.2111 29.0816 178.0563 162 A 4.0307 8.1208 121.7839 54.9396 18.1839 179.0722 163 L 4.1824 7.3818 113.8590 56.2075 41.8618 177.8028 164 L 4.5257 7.3567 112.8031 55.3831 44.7175 175.7359 165 R 3.9361 8.5596 120.6184 57.4832 29.2088 176.2057 166 D 4.2089 8.3274 124.0432 54.2095 38.7210 176.4814 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 8.30 4.46 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 E 8.11 4.47 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 3 L 8.86 4.23 0.00 1.71 1.60 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *102 K 7.61 4.57 0.00 2.02 1.82 0.00 1.74 0.00 0.00 0.61 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 103 R 8.33 4.46 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 104 K 8.37 4.72 0.00 1.69 1.78 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.45 7.81 105 T 7.75 4.51 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 0.00 106 T 7.90 4.59 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 0.00 107 N 8.04 4.32 0.00 2.86 2.84 0.00 0.00 7.11 8.15 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 0.00 108 A 7.94 4.16 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 0.00 109 D 7.51 4.43 0.00 2.68 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 0.00 110 R 7.74 4.12 0.00 1.80 1.97 0.00 3.28 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 111 R 7.80 3.92 0.00 1.84 1.90 0.00 3.36 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 112 K 7.57 3.79 0.00 1.99 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 113 A 7.85 3.97 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 0.00 114 A 7.77 4.03 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 0.00 115 T 8.05 4.04 4.40 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 1.21 0.00 0.00 116 M 8.06 4.11 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 117 R 8.11 3.97 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 118 E 7.87 3.91 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 119 R 7.81 3.88 0.00 1.88 2.17 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 120 R 7.67 4.00 0.00 2.09 1.96 0.00 3.19 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 121 R 8.31 3.89 0.00 1.97 2.09 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 122 L 8.20 3.93 0.00 1.90 1.66 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.96 4.08 0.00 4.11 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 0.00 124 K 7.91 4.09 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.58 7.81 125 V 7.57 3.58 2.33 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 1.15 0.00 0.00 1.00 0.00 0.00 126 N 8.65 4.65 0.00 2.98 2.92 0.00 0.00 6.97 8.01 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 0.00 127 E 8.19 3.97 0.00 2.25 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 0.00 2.56 2.51 0.00 128 A 7.73 3.97 1.19 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 0.00 0.00 0.00 129 F 7.99 4.08 0.00 3.32 3.07 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 0.00 0.00 0.00 0.00 130 E 8.39 4.15 0.00 2.11 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 2.32 2.37 0.00 131 T 7.64 4.11 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 0.00 132 L 7.95 4.10 0.00 1.73 1.88 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.57 3.91 0.00 2.09 2.01 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 134 R 8.26 4.12 0.00 1.75 1.95 0.00 3.17 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 135 S 7.23 4.51 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.94 2.48 4.07 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 0.00 0.00 0.00 1.10 0.00 0.00 137 S 7.35 4.20 0.00 3.77 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.38 4.53 0.00 3.98 3.93 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 0.00 0.00 0.00 139 N 7.87 4.68 0.00 2.71 2.78 0.00 0.00 7.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.42 0.00 2.25 2.27 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 141 N 8.12 4.18 0.00 2.71 2.93 0.00 0.00 6.94 7.69 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 0.00 142 Q 7.13 4.35 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 143 R 7.87 4.66 0.00 1.71 1.77 0.00 3.22 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 144 L 7.62 4.13 0.00 1.61 1.54 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.41 0.00 2.25 2.11 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 146 K 8.43 3.51 0.00 1.55 1.40 0.00 1.35 0.00 0.00 1.08 0.00 0.00 2.33 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.47 1.14 7.81 147 V 7.74 3.64 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 0.81 0.00 0.00 0.94 0.00 0.00 148 E 8.04 3.93 0.00 2.21 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 0.00 2.39 2.33 0.00 149 I 7.76 3.67 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 1.04 0.00 0.00 150 L 8.24 4.08 0.00 1.99 1.78 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.00 4.15 0.00 1.90 1.99 0.00 3.14 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 152 N 9.06 4.39 0.00 3.08 2.87 0.00 0.00 6.76 6.14 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 0.00 153 A 8.15 4.27 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 0.00 154 I 7.53 3.81 2.02 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 1.55 1.37 0.93 0.00 0.00 155 R 7.87 4.06 0.00 2.24 2.03 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 156 Y 8.46 4.17 0.00 3.15 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 0.00 157 I 7.85 3.60 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.91 0.00 0.00 158 E 7.93 4.07 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 159 G 8.01 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.42 3.99 0.00 1.45 1.62 -0.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.47 4.02 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 162 A 8.12 4.03 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 0.00 163 L 7.38 4.18 0.00 1.83 1.73 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.36 4.53 0.00 1.73 1.57 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.56 3.94 0.00 1.75 1.88 0.00 3.33 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 166 D 8.33 4.21 0.00 2.77 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 * Residues marked with a * may have inaccurate shift predictions.