============================================================================= 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. PHE 10 1.000 -0.345 61.289 -27.260 -99.200 -91.000 HIS 11 0.900 -9.485 67.154 -28.525 -99.200 -91.000 HIS 13 0.900 -3.135 69.954 -33.243 -99.200 -91.000 TYR 34 0.840 4.182 52.047 -25.242 -99.200 -91.000 TYR 43 0.840 -19.047 59.702 -34.182 -99.200 -91.000 TYR 57 0.840 -12.922 59.598 -15.120 -99.200 -91.000 PHE 67 1.000 -1.600 41.974 -15.128 -99.200 -91.000 TRP 73 1.040 -15.521 49.777 -15.789 -99.200 -91.000 TRP6 73 1.020 -17.724 50.334 -15.101 -99.200 -91.000 PHE 77 1.000 -21.116 52.796 -11.352 -99.200 -91.000 PHE 81 1.000 -21.664 63.343 -5.874 -99.200 -91.000 TRP 82 1.040 -19.306 64.901 -10.846 -99.200 -91.000 TRP6 82 1.020 -21.395 65.818 -10.206 -99.200 -91.000 PHE 91 1.000 -20.922 54.828 -17.495 -99.200 -91.000 PHE 97 1.000 -7.239 57.027 -17.995 -99.200 -91.000 PHE 101 1.000 -6.251 51.095 -16.568 -99.200 -91.000 TRP 102 1.040 -9.141 44.587 -20.094 -99.200 -91.000 TRP6 102 1.020 -9.136 42.302 -19.482 -99.200 -91.000 TYR 114 0.840 -7.035 35.967 -29.557 -99.200 -91.000 TYR 128 0.840 -21.797 47.187 -40.817 -99.200 -91.000 PHE 134 1.000 -21.056 60.749 -44.347 -99.200 -91.000 TRP 136 1.040 -15.693 50.813 -49.628 -99.200 -91.000 TRP6 136 1.020 -15.879 50.767 -47.271 -99.200 -91.000 TYR 149 0.840 -27.089 57.477 -51.447 -99.200 -91.000 TYR 161 0.840 -15.673 45.394 -47.246 -99.200 -91.000 HIS 171 0.900 -25.809 63.118 -46.572 -99.200 -91.000 PHE 181 1.000 -37.277 68.650 -37.852 -99.200 -91.000 HIS 216 0.900 -25.418 58.550 -39.147 -99.200 -91.000 HIS 218 0.900 -29.327 62.442 -38.870 -99.200 -91.000 PHE 227 1.000 -36.674 55.057 -45.240 -99.200 -91.000 PHE 234 1.000 -36.979 48.134 -51.828 -99.200 -91.000 PHE 237 1.000 -27.707 41.058 -41.552 -99.200 -91.000 PHE 238 1.000 -27.569 45.518 -38.090 -99.200 -91.000 TYR 239 0.840 -35.327 51.562 -39.713 -99.200 -91.000 TYR 269 0.840 -23.115 56.635 -23.859 -99.200 -91.000 TRP 272 1.040 -26.097 50.506 -13.562 -99.200 -91.000 TRP6 272 1.020 -23.857 49.757 -13.421 -99.200 -91.000 PHE 274 1.000 -25.872 48.816 -24.733 -99.200 -91.000 PHE 277 1.000 -32.530 51.259 -25.118 -99.200 -91.000 PHE 296 1.000 -10.311 45.367 -25.021 -99.200 -91.000 PHE 299 1.000 -17.998 44.582 -26.926 -99.200 -91.000 HIS 307 0.900 -25.390 33.970 -25.787 -99.200 -91.000 PHE 309 1.000 -32.518 39.939 -21.247 -99.200 -91.000 HIS 316 0.900 -19.905 53.728 -33.177 -99.200 -91.000 HIS 329 0.900 -7.005 41.735 -29.634 -99.200 -91.000 PHE 337 1.000 -18.731 39.381 -35.091 -99.200 -91.000 HIS 340 0.900 -15.015 45.108 -37.045 -99.200 -91.000 HIS 342 0.900 -12.576 48.656 -42.383 -99.200 -91.000 HIS 343 0.900 -17.161 55.515 -40.358 -99.200 -91.000 TYR 351 0.840 -9.903 59.069 -38.406 -99.200 -91.000 HIS 357 0.900 1.353 46.982 -36.250 -99.200 -91.000 TYR 359 0.840 -3.859 45.157 -37.024 -99.200 -91.000 TYR 366 0.840 -10.910 44.197 -39.860 -99.200 -91.000 TYR 383 0.840 4.522 61.867 -27.989 -99.200 -91.000 TYR 388 0.840 2.114 65.176 -24.471 -99.200 -91.000 HIS 395 0.900 -1.901 67.880 -14.726 -99.200 -91.000 HIS 396 0.900 6.271 68.134 -18.123 -99.200 -91.000 HIS 397 0.900 -0.978 71.618 -20.461 -99.200 -91.000