============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 12 0.900 111.645 114.021 -0.852 -99.200 -91.000 PHE 16 1.000 111.640 110.396 7.671 -99.200 -91.000 TYR 17 0.840 117.991 104.791 10.788 -99.200 -91.000 TRP 31 1.040 140.710 110.845 15.405 -99.200 -91.000 TRP6 31 1.020 139.783 109.316 16.956 -99.200 -91.000 PHE 35 1.000 141.635 111.145 20.633 -99.200 -91.000 HIS 41 0.900 143.273 101.604 10.498 -99.200 -91.000 TYR 42 0.840 132.897 103.874 10.949 -99.200 -91.000 PHE 63 1.000 137.149 102.845 5.504 -99.200 -91.000 PHE 86 1.000 139.342 89.663 9.043 -99.200 -91.000 HIS 88 0.900 136.040 88.801 15.429 -99.200 -91.000 PHE 98 1.000 136.907 88.642 0.573 -99.200 -91.000 PHE 109 1.000 148.489 87.095 18.132 -99.200 -91.000 PHE 113 1.000 144.066 75.500 19.769 -99.200 -91.000 HIS 119 0.900 153.105 78.079 10.029 -99.200 -91.000 TYR 121 0.840 143.866 77.364 6.322 -99.200 -91.000 HIS 122 0.900 146.842 86.931 4.865 -99.200 -91.000 PHE 146 1.000 136.023 88.874 20.925 -99.200 -91.000 HIS 155 0.900 152.242 79.672 24.931 -99.200 -91.000 TYR 159 0.840 152.144 78.395 18.871 -99.200 -91.000 PHE 172 1.000 144.101 100.089 24.872 -99.200 -91.000 HIS 173 0.900 136.715 98.541 22.428 -99.200 -91.000 TYR 184 0.840 139.772 104.605 26.297 -99.200 -91.000 TYR 185 0.840 148.378 107.150 32.675 -99.200 -91.000 PHE 195 1.000 155.727 98.646 20.927 -99.200 -91.000 HIS 203 0.900 157.249 88.590 17.494 -99.200 -91.000 TYR 206 0.840 155.245 98.764 12.200 -99.200 -91.000 HIS 215 0.900 129.551 107.351 24.539 -99.200 -91.000 TYR 226 0.840 143.790 110.779 32.738 -99.200 -91.000 PHE 234 1.000 152.662 104.763 30.576 -99.200 -91.000 PHE 235 1.000 153.082 102.517 23.648 -99.200 -91.000 PHE 247 1.000 135.150 111.345 18.113 -99.200 -91.000 PHE 248 1.000 135.502 109.451 13.392 -99.200 -91.000 HIS 251 0.900 126.678 113.105 18.373 -99.200 -91.000 TYR 252 0.840 125.887 109.147 8.437 -99.200 -91.000 TYR 269 0.840 97.328 110.920 27.958 -99.200 -91.000 TYR 271 0.840 101.177 108.594 22.961 -99.200 -91.000 PHE 272 1.000 101.219 99.586 21.194 -99.200 -91.000 PHE 273 1.000 106.235 106.448 18.938 -99.200 -91.000 TYR 278 0.840 112.263 91.789 18.914 -99.200 -91.000 PHE 281 1.000 113.953 103.693 18.405 -99.200 -91.000 PHE 286 1.000 121.467 93.298 22.457 -99.200 -91.000 TYR 305 0.840 106.355 118.395 28.122 -99.200 -91.000 TYR 311 0.840 103.729 99.657 25.419 -99.200 -91.000 HIS 323 0.900 109.996 99.622 29.912 -99.200 -91.000 HIS 331 0.900 96.594 114.560 19.353 -99.200 -91.000 TRP 335 1.040 105.633 111.576 10.332 -99.200 -91.000 TRP6 335 1.020 106.873 109.629 9.834 -99.200 -91.000 TYR 337 0.840 114.199 115.368 15.373 -99.200 -91.000 PHE 338 1.000 112.863 108.189 19.640 -99.200 -91.000 TRP 341 1.040 118.230 105.531 17.362 -99.200 -91.000 TRP6 341 1.020 118.330 105.761 19.732 -99.200 -91.000 TYR 344 0.840 127.929 99.910 18.016 -99.200 -91.000 PHE 352 1.000 109.842 88.694 16.405 -99.200 -91.000 PHE 355 1.000 105.245 95.342 12.280 -99.200 -91.000 TYR 358 0.840 116.749 101.132 7.657 -99.200 -91.000 TYR 361 0.840 113.825 110.950 2.642 -99.200 -91.000 TYR 362 0.840 122.266 108.963 2.480 -99.200 -91.000