============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 2 1.000 -42.165 51.398 -72.984 -99.200 -91.000 HIS 8 0.900 -50.655 38.807 -87.495 -99.200 -91.000 PHE 24 1.000 -30.743 45.662 -93.841 -99.200 -91.000 TYR 29 0.840 -18.984 45.795 -88.222 -99.200 -91.000 PHE 57 1.000 -20.393 35.967 -89.683 -99.200 -91.000 TYR 68 0.840 -33.576 31.745 -99.655 -99.200 -91.000 TYR 81 0.840 -28.693 45.949 -98.508 -99.200 -91.000 HIS 101 0.900 -33.057 22.169 -98.809 -99.200 -91.000 TYR 127 0.840 -45.746 28.226 -86.315 -99.200 -91.000 TYR 134 0.840 -56.190 27.213 -76.126 -99.200 -91.000 PHE 144 1.000 -39.092 20.151 -79.559 -99.200 -91.000 PHE 149 1.000 -36.312 16.608 -84.309 -99.200 -91.000 TYR 151 0.840 -30.258 25.519 -84.889 -99.200 -91.000 PHE 152 1.000 -29.235 17.039 -82.479 -99.200 -91.000 HIS 153 0.900 -31.500 15.590 -89.378 -99.200 -91.000 HIS 161 0.900 -17.965 19.008 -96.848 -99.200 -91.000 TYR 177 0.840 -29.440 30.682 -71.265 -99.200 -91.000 TYR 186 0.840 -38.708 30.411 -80.128 -99.200 -91.000 PHE 196 1.000 -26.423 20.629 -81.881 -99.200 -91.000 TRP 220 1.040 -38.928 46.231 -85.953 -99.200 -91.000 TRP6 220 1.020 -41.102 45.523 -85.337 -99.200 -91.000 PHE 228 1.000 -44.780 37.297 -80.081 -99.200 -91.000 PHE 236 1.000 -40.311 41.994 -80.163 -99.200 -91.000 TYR 248 0.840 -27.515 48.624 -85.279 -99.200 -91.000 TYR 254 0.840 -25.163 35.481 -84.447 -99.200 -91.000 TYR 256 0.840 -15.762 37.174 -78.641 -99.200 -91.000 TYR 264 0.840 -8.346 29.414 -72.983 -99.200 -91.000 HIS 270 0.900 -27.009 34.535 -72.067 -99.200 -91.000