NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 S 4.6091 8.2160 114.6841 58.1729 64.7144 176.1449 *-2 H 4.2016 8.0490 116.7850 57.1751 28.6032 181.4273 -1 M 4.1492 8.6420 121.2250 57.9613 33.4706 177.3725 *140 E 4.3324 8.0766 117.2072 56.3875 31.8570 177.9434 141 Q 4.0210 7.6081 116.8715 58.7483 28.7814 178.3521 142 R 3.9553 8.4185 119.5470 59.5265 30.1534 179.2017 143 I 3.7043 7.8214 119.0753 64.4239 37.2141 178.3475 144 L 4.0329 8.0661 119.9487 57.8397 41.3536 179.2681 145 K 3.8387 8.4668 119.7603 59.5654 32.1145 178.1608 146 F 3.8842 8.3722 120.6115 61.6293 39.0266 177.1996 147 L 4.0314 8.0460 117.0919 57.7480 41.5859 178.4263 148 E 4.0294 7.9648 118.4025 60.5347 29.5957 178.3168 149 E 4.0491 8.3742 117.7483 57.3958 30.0192 175.7064 150 L 3.6292 7.5357 132.7042 55.7438 41.7202 178.8018 151 G 3.9702 8.2390 114.5467 44.4980 0.0000 170.4601 152 E 4.6395 8.6512 114.3694 55.5878 31.3621 176.6431 153 G 4.1024 7.9066 105.0811 44.5876 0.0000 173.3459 154 K 4.1107 7.9700 118.6392 56.2658 32.6705 175.3593 155 A 5.0472 7.8885 121.9591 51.1321 22.6795 173.9706 156 T 4.5809 8.5748 111.9743 62.2956 71.5026 171.8367 157 T 5.3613 8.3573 111.0509 59.5193 71.9691 175.0103 158 A 3.8584 9.0291 124.2238 55.8911 18.2289 179.5256 159 H 4.0308 8.3070 116.0024 59.3299 29.8986 176.7032 160 D 4.2376 8.4163 119.8599 57.3897 40.9388 177.8833 161 L 3.5014 7.7870 118.4370 58.0520 42.0854 179.3599 162 S 4.2921 8.3272 113.1535 61.1084 62.3447 176.5074 163 G 3.4965 7.7069 108.0891 47.7357 0.0000 175.5863 164 K 4.2703 7.4281 116.8550 56.6312 31.7720 177.9429 165 L 4.4439 7.5807 115.5409 53.8930 45.5169 175.8996 166 G 4.0222 8.0940 106.5984 46.8247 0.0000 174.0110 167 T 4.6033 7.6307 111.9325 60.4991 72.8454 173.1833 168 P 4.2821 0.0000 0.0000 62.5198 32.3503 176.9146 169 K 3.7241 8.9861 123.3840 59.7679 31.8488 178.5361 170 K 3.8029 8.1568 119.1369 59.8457 31.9116 178.0275 171 E 3.8854 8.0981 118.2068 59.4757 29.4510 179.0036 172 I 3.5486 7.7479 119.2752 64.8212 37.1921 177.9772 173 N 4.2945 8.6745 117.0795 56.2418 38.2726 177.4424 174 R 3.9343 8.1581 119.8819 59.5789 30.1358 179.2330 175 V 3.6131 7.7235 117.5887 65.5524 31.3993 177.8746 176 L 3.4710 7.9440 119.1709 58.0309 40.9536 179.2446 177 Y 4.0567 7.8464 116.3181 60.9836 37.7663 178.3082 178 S 4.1799 8.0079 113.7865 61.6508 62.6172 176.0587 179 L 3.9766 8.3367 121.6068 57.9913 41.3363 179.8338 180 A 4.3577 7.7270 121.8343 54.7117 18.2239 179.8728 181 K 4.0557 7.6575 115.4026 59.3726 32.3065 179.1967 182 K 4.2164 8.1589 116.6081 56.7540 31.6309 179.1406 183 G 4.0488 8.0519 107.3341 45.9418 0.0000 175.4536 184 K 4.1716 7.9163 119.8299 59.2576 32.4292 177.2069 185 L 5.1283 7.9962 118.9094 53.1155 44.9415 175.0722 186 Q 4.7662 9.1880 122.0505 54.1811 31.9028 174.0348 187 K 4.2637 8.4431 126.5299 54.1978 35.1988 174.5439 188 E 4.4121 8.3706 128.1880 53.9405 31.2933 174.6940 189 A 4.1436 8.5350 128.8339 52.0580 19.3307 176.8191 190 G 3.7884 7.6988 108.8804 46.3528 0.0000 171.9109 191 T 4.5908 8.1161 116.3705 61.0478 68.3223 172.6862 192 P 4.8810 0.0000 0.0000 59.8233 33.1298 174.3905 193 P 4.5220 0.0000 0.0000 62.8317 32.1152 175.9702 194 L 4.9803 8.1567 121.8414 52.7992 44.5025 175.4677 195 W 5.2437 9.5007 123.9292 54.7401 32.0547 174.9347 196 K 5.0186 9.0589 122.4491 55.0383 36.0201 175.6680 197 I 4.1616 8.5506 121.8395 61.9567 37.8495 175.2729 198 A 4.8357 8.3489 127.3900 50.1369 22.1591 176.9471 199 V 3.9119 8.1469 116.2604 63.2778 31.8656 175.4723 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 -3 S 8.22 4.61 0.00 3.92 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 *-2 H 8.05 4.20 0.00 2.96 3.04 0.00 7.24 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 8.64 4.15 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 *140 E 8.08 4.33 0.00 2.09 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 2.27 2.43 0.00 141 Q 7.61 4.02 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 142 R 8.42 3.96 0.00 1.90 1.99 0.00 3.29 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 1.66 1.82 0.00 143 I 7.82 3.70 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.96 0.85 0.00 0.00 144 L 8.07 4.03 0.00 1.73 1.75 0.93 0.61 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 0.00 145 K 8.47 3.84 0.00 1.97 2.08 0.00 1.55 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 F 8.37 3.88 0.00 3.27 3.25 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 0.00 147 L 8.05 4.03 0.00 1.89 1.78 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 148 E 7.96 4.03 0.00 2.05 2.19 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 2.32 2.39 0.00 149 E 8.37 4.05 0.00 1.75 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 150 L 7.54 3.63 0.00 1.02 1.63 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.24 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.65 4.64 0.00 1.90 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 2.18 2.24 0.00 153 G 7.91 4.10 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 0.00 0.00 0.00 154 K 7.97 4.11 0.00 1.92 1.77 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 155 A 7.89 5.05 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 0.00 156 T 8.57 4.58 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 1.40 0.00 0.00 157 T 8.36 5.36 4.38 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 1.30 0.00 0.00 158 A 9.03 3.86 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 0.00 159 H 8.31 4.03 0.00 3.23 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.42 4.24 0.00 2.85 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 0.00 161 L 7.79 3.50 0.00 1.76 1.55 0.82 0.80 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 0.00 162 S 8.33 4.29 0.00 3.79 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 0.00 163 G 7.71 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 0.00 164 K 7.43 4.27 0.00 1.58 1.43 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.62 7.81 165 L 7.58 4.44 0.00 1.55 1.52 0.74 0.77 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 0.00 166 G 8.09 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.63 4.60 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 1.16 0.00 0.00 168 P 0.00 4.28 0.00 2.15 1.96 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 169 K 8.99 3.72 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.53 7.81 170 K 8.16 3.80 0.00 1.84 1.81 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 171 E 8.10 3.89 0.00 2.16 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 2.30 2.46 0.00 172 I 7.75 3.55 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.72 0.76 0.00 0.00 173 N 8.67 4.29 0.00 2.92 2.96 0.00 0.00 7.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.16 3.93 0.00 2.09 1.98 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 175 V 7.72 3.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.92 0.00 0.00 176 L 7.94 3.47 0.00 0.63 0.13 -0.05 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 7.85 4.06 0.00 3.25 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 0.00 178 S 8.01 4.18 0.00 3.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.34 3.98 0.00 1.90 1.77 0.88 1.16 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 0.00 180 A 7.73 4.36 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.66 4.06 0.00 1.93 1.93 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.70 7.81 182 K 8.16 4.22 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 183 G 8.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.17 0.00 1.89 1.89 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 185 L 8.00 5.13 0.00 1.77 1.80 0.96 0.82 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 0.00 186 Q 9.19 4.77 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 187 K 8.44 4.26 0.00 0.79 1.13 0.00 1.44 0.00 0.00 1.26 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.21 7.81 188 E 8.37 4.41 0.00 1.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 189 A 8.53 4.14 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 0.00 190 G 7.70 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 0.00 0.00 0.00 191 T 8.12 4.59 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 1.23 0.00 0.00 192 P 0.00 4.88 0.00 2.30 2.14 0.00 3.41 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 193 P 0.00 4.52 0.00 2.04 1.79 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 194 L 8.16 4.98 0.00 1.46 1.49 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 195 W 9.50 5.24 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 196 K 9.06 5.02 0.00 1.86 1.94 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.42 7.81 197 I 8.55 4.16 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.93 0.00 0.00 198 A 8.35 4.84 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 0.00 199 V 8.15 3.91 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 0.83 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.