NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 141 S 4.5111 8.3344 117.1017 57.9109 64.0529 174.3264 142 H 4.3368 8.4214 117.9262 55.2418 28.5767 173.3606 *144 Q 4.0298 8.0775 114.9990 55.0963 30.7238 173.5978 145 D 4.3020 8.6643 118.8843 54.4116 41.3070 175.8732 146 P 4.3306 0.0000 0.0000 65.1222 31.7291 176.9529 147 L 4.5088 8.8263 117.6738 54.2050 41.8564 176.2675 148 S 4.2250 7.8734 114.7261 60.3080 62.4570 174.6933 149 G 4.0044 9.0037 115.6233 45.1851 0.0000 173.4294 150 L 4.4632 7.5005 119.7812 54.1309 42.6006 177.5497 151 T 4.1866 8.7117 113.3202 61.2855 70.8958 175.4736 152 D 4.3429 8.6109 121.5316 57.8306 40.7514 179.0717 153 Q 3.9793 7.9791 119.2975 59.2986 29.0565 178.0224 154 E 3.9703 8.1454 119.6333 59.2173 29.3946 179.5987 155 R 3.9338 8.2910 118.5325 59.5936 30.1994 179.1172 156 T 3.8709 8.0614 115.5760 66.4307 68.4383 176.2973 157 L 3.9551 8.1640 122.2804 58.1150 42.2279 178.3956 158 L 4.0366 8.2710 120.7879 58.6155 41.7207 179.4240 159 G 3.6394 7.9873 103.6999 47.6078 0.0000 175.1581 160 L 4.2603 8.1002 120.9859 57.0183 41.8184 179.0081 161 L 4.0120 8.5028 119.7789 58.0012 41.4656 179.4624 162 S 4.3828 7.8447 111.2220 60.0962 63.1596 175.0946 163 E 4.3681 7.8448 121.3745 56.2626 29.4815 176.9909 164 G 3.9183 7.8519 107.4377 45.5570 0.0000 174.0366 165 L 4.4232 7.5348 118.6568 54.1114 42.5927 177.4397 166 T 4.2684 9.0035 112.7800 61.1155 71.0214 175.4968 167 N 4.2332 8.6734 118.7662 56.5968 38.4151 177.5345 168 K 3.9281 7.9304 120.2170 59.4867 32.5160 178.7245 169 Q 3.9367 8.2972 118.5481 59.0041 28.4335 178.7424 170 I 3.6730 8.1629 119.5626 64.3601 37.4397 177.8684 171 A 4.0926 8.3087 121.8378 55.3216 17.9826 178.9481 172 D 4.1242 7.9388 115.2245 57.4889 41.2316 178.3543 173 R 4.1504 7.2987 115.6840 56.3430 31.7194 177.1943 *175 F 4.3703 7.9056 113.8734 57.6505 40.0130 174.1330 176 L 4.8619 8.0307 118.9467 51.9116 46.1390 177.7701 177 A 4.1922 8.1333 121.6847 51.7314 20.3874 178.4169 178 E 3.8121 8.6328 122.7108 59.3333 29.7354 179.4271 179 K 3.8935 7.9596 119.1143 59.6922 32.1720 178.7513 180 T 3.5890 7.5847 115.6126 66.4327 68.3146 176.5800 181 V 3.4095 7.5137 120.1145 65.6501 31.4863 177.8257 182 K 3.8649 8.0893 119.3871 59.6673 32.0607 178.2094 183 N 4.3312 8.1998 116.6345 56.8746 38.5207 176.9692 184 Y 4.4039 8.2486 118.1262 61.1542 37.8149 178.9086 185 V 3.7079 8.3307 119.6372 66.1240 31.5494 178.3538 186 S 4.1457 8.0226 114.5902 61.6296 62.6291 176.8969 187 R 3.9365 8.1777 120.8510 58.9338 29.7602 178.7708 188 L 3.9251 8.3925 120.5557 58.2423 41.9231 179.0155 189 L 3.9342 7.9940 117.3860 57.6505 41.9908 178.7945 190 A 4.1496 8.2648 121.0986 55.5449 18.0520 179.8679 191 K 3.9238 7.9593 115.1270 59.4185 32.2323 178.8789 192 L 4.1835 7.8878 116.6783 53.9599 43.1820 175.9593 193 G 3.4959 7.3086 107.3023 45.8829 0.0000 173.3611 *195 E 4.3830 7.8469 118.3818 56.0886 32.3247 176.8707 196 R 4.7050 8.4108 116.7861 53.1319 34.5149 175.7357 197 R 3.8995 8.9499 121.2932 60.2669 29.8197 178.8737 198 T 3.9235 7.9140 108.6352 64.9914 68.7336 176.2243 199 Q 3.9963 8.1676 120.6347 58.6504 28.7208 178.6453 200 A 4.1274 8.0115 121.1760 55.1113 18.5469 179.4130 201 A 3.9971 8.2021 119.4089 55.1960 18.4536 180.1204 202 V 3.5601 8.1059 116.9911 66.0372 31.6310 177.9836 203 F 4.4150 8.4385 120.2557 61.4442 39.2161 177.0167 204 A 3.6851 8.2177 120.3396 55.1843 17.7699 179.7763 205 T 3.7685 7.9251 114.3563 66.7435 68.2916 176.6480 206 E 3.9881 7.8987 119.3331 59.5704 29.5889 179.2614 207 L 3.9853 7.3170 117.6365 57.5209 41.6322 179.3843 208 K 4.0259 7.6186 117.9342 58.9257 32.0005 176.9618 209 R 4.0913 7.4457 121.8456 56.3834 30.0087 175.6386 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 141 S 8.33 4.51 0.00 3.65 3.75 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 0.00 0.00 0.00 142 H 8.42 4.34 0.00 3.17 3.34 0.00 5.75 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 *144 Q 8.08 4.03 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 145 D 8.66 4.30 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.33 0.00 2.19 2.29 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 147 L 8.83 4.51 0.00 1.81 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.87 4.23 0.00 4.02 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 9.00 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 0.00 0.00 0.00 150 L 7.50 4.46 0.00 1.77 1.61 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.71 4.19 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 1.15 0.00 0.00 152 D 8.61 4.34 0.00 2.70 2.78 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 0.00 153 Q 7.98 3.98 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 154 E 8.15 3.97 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 155 R 8.29 3.93 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 156 T 8.06 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 1.25 0.00 0.00 157 L 8.16 3.96 0.00 1.94 1.91 0.99 0.60 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 0.00 158 L 8.27 4.04 0.00 1.99 1.91 1.12 1.20 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 0.00 159 G 7.99 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.26 0.00 1.87 1.73 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.50 4.01 0.00 1.94 1.77 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 162 S 7.84 4.38 0.00 4.05 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 0.00 163 E 7.84 4.37 0.00 2.13 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 2.53 2.46 0.00 164 G 7.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.53 4.42 0.00 1.65 1.60 0.97 0.98 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 0.00 166 T 9.00 4.27 4.23 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 0.00 0.00 0.00 1.25 0.00 0.00 167 N 8.67 4.23 0.00 2.74 2.91 0.00 0.00 6.44 7.68 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 0.00 168 K 7.93 3.93 0.00 1.84 1.77 0.00 1.57 0.00 0.00 2.00 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.55 7.81 169 Q 8.30 3.94 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 170 I 8.16 3.67 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.94 0.00 0.00 171 A 8.31 4.09 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 0.00 172 D 7.94 4.12 0.00 2.55 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 7.30 4.15 0.00 1.97 1.94 0.00 3.37 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 *175 F 7.91 4.37 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 176 L 8.03 4.86 0.00 1.54 1.42 0.99 0.65 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 0.00 177 A 8.13 4.19 1.22 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 0.00 0.00 0.00 178 E 8.63 3.81 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 179 K 7.96 3.89 0.00 1.87 1.74 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.55 7.81 180 T 7.58 3.59 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 181 V 7.51 3.41 2.16 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 1.08 0.00 0.00 0.91 0.00 0.00 182 K 8.09 3.86 0.00 1.84 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 183 N 8.20 4.33 0.00 2.96 2.94 0.00 0.00 7.10 7.01 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 0.00 184 Y 8.25 4.40 0.00 3.11 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 0.00 185 V 8.33 3.71 2.27 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 1.15 0.00 0.00 1.00 0.00 0.00 186 S 8.02 4.15 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 8.18 3.94 0.00 2.04 1.97 0.00 3.25 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 188 L 8.39 3.93 0.00 1.81 1.95 0.95 0.66 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 0.00 189 L 7.99 3.93 0.00 1.89 1.72 0.94 1.12 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 0.00 190 A 8.26 4.15 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.96 3.92 0.00 1.91 1.87 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 192 L 7.89 4.18 0.00 1.52 1.47 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 193 G 7.31 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *195 E 7.85 4.38 0.00 1.99 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 0.00 2.20 2.33 0.00 196 R 8.41 4.71 0.00 1.79 1.75 0.00 3.16 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 197 R 8.95 3.90 0.00 1.88 1.97 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 198 T 7.91 3.92 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 199 Q 8.17 4.00 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 200 A 8.01 4.13 1.41 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 0.00 0.00 0.00 201 A 8.20 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 8.11 3.56 2.21 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 1.03 0.00 0.00 1.01 0.00 0.00 203 F 8.44 4.41 0.00 3.16 3.32 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 0.00 204 A 8.22 3.69 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 0.00 205 T 7.93 3.77 4.36 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 1.20 0.00 0.00 206 E 7.90 3.99 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 207 L 7.32 3.99 0.00 1.53 1.53 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 208 K 7.62 4.03 0.00 1.90 1.84 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.51 7.81 209 R 7.45 4.09 0.00 2.04 1.77 0.00 3.41 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 1.61 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.