============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 48 1.000 -75.361 -1.726 20.095 -99.200 -91.000 TYR 76 0.840 -71.490 -8.124 12.505 -99.200 -91.000 TRP 98 1.040 -75.973 -27.991 34.459 -99.200 -91.000 TRP6 98 1.020 -75.580 -27.986 32.124 -99.200 -91.000 PHE 99 1.000 -82.870 -25.849 40.343 -99.200 -91.000 TYR 118 0.840 -73.880 -30.527 23.202 -99.200 -91.000 TYR 119 0.840 -73.532 -30.989 27.977 -99.200 -91.000 PHE 230 1.000 -87.879 -16.659 35.977 -99.200 -91.000 HIS 258 0.900 -77.792 -3.404 29.435 -99.200 -91.000 TYR 265 0.840 -73.530 -21.466 29.549 -99.200 -91.000 PHE 266 1.000 -75.657 -25.702 25.153 -99.200 -91.000 PHE 279 1.000 -76.179 -16.606 21.250 -99.200 -91.000 TYR 280 0.840 -71.428 -21.036 16.608 -99.200 -91.000