============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 4 1.000 30.265 44.466 29.210 -99.200 -91.000 PHE 8 1.000 29.267 46.131 39.204 -99.200 -91.000 TYR 17 0.840 27.765 51.015 41.640 -99.200 -91.000 PHE 20 1.000 32.133 47.955 34.582 -99.200 -91.000 PHE 30 1.000 27.663 50.248 20.486 -99.200 -91.000 PHE 34 1.000 11.210 46.705 25.159 -99.200 -91.000 HIS 74 0.900 16.160 37.426 43.512 -99.200 -91.000 PHE 76 1.000 9.256 44.392 45.118 -99.200 -91.000 PHE 83 1.000 2.612 44.494 52.099 -99.200 -91.000 PHE 89 1.000 4.208 43.258 46.944 -99.200 -91.000 TYR 97 0.840 17.101 44.059 34.616 -99.200 -91.000 HIS 133 0.900 15.252 48.946 48.933 -99.200 -91.000 HIS 141 0.900 7.371 60.449 40.242 -99.200 -91.000 PHE 145 1.000 4.371 62.653 34.153 -99.200 -91.000 HIS 151 0.900 -0.302 53.298 29.541 -99.200 -91.000 TYR 164 0.840 19.471 58.020 49.404 -99.200 -91.000 HIS 168 0.900 16.901 66.357 47.143 -99.200 -91.000 TRP 175 1.040 27.218 55.956 52.536 -99.200 -91.000 TRP6 175 1.020 25.027 56.405 53.316 -99.200 -91.000 PHE 184 1.000 30.465 41.637 41.971 -99.200 -91.000 TYR 202 0.840 15.331 49.466 32.788 -99.200 -91.000 PHE 205 1.000 16.464 53.759 29.442 -99.200 -91.000 TRP 230 1.040 26.294 62.057 55.960 -99.200 -91.000 TRP6 230 1.020 26.485 62.302 53.619 -99.200 -91.000 TRP 237 1.040 22.365 59.606 57.546 -99.200 -91.000 TRP6 237 1.020 20.833 57.816 57.331 -99.200 -91.000 HIS 240 0.900 13.991 65.508 49.617 -99.200 -91.000 TRP 241 1.040 8.873 61.971 46.072 -99.200 -91.000 TRP6 241 1.020 10.232 60.971 44.412 -99.200 -91.000 HIS 245 0.900 -1.246 61.462 52.698 -99.200 -91.000 HIS 254 0.900 19.525 52.170 49.727 -99.200 -91.000 PHE 255 1.000 22.568 47.400 50.093 -99.200 -91.000 HIS 261 0.900 15.503 45.927 61.172 -99.200 -91.000 TRP 272 1.040 0.185 56.610 52.986 -99.200 -91.000 TRP6 272 1.020 0.340 55.927 50.732 -99.200 -91.000