============================================================================= 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 15 1.000 1.047 -0.329 17.946 -99.200 -91.000 HIS 25 0.900 -3.380 -10.524 1.192 -99.200 -91.000 TYR 26 0.840 0.026 -3.990 -1.869 -99.200 -91.000 PHE 36 1.000 -1.330 2.305 -7.243 -99.200 -91.000 PHE 46 1.000 5.175 -5.768 -0.889 -99.200 -91.000 PHE 48 1.000 6.454 -2.837 4.369 -99.200 -91.000 TRP 59 1.040 2.405 0.035 1.996 -99.200 -91.000 TRP6 59 1.020 2.838 -1.104 -0.023 -99.200 -91.000 TYR 80 0.840 5.747 11.724 4.471 -99.200 -91.000 TYR 82 0.840 5.062 5.673 -6.579 -99.200 -91.000 HIS 87 0.900 6.083 3.540 -12.700 -99.200 -91.000 HIS 94 0.900 2.918 17.728 -8.855 -99.200 -91.000 PHE 99 1.000 -0.535 1.949 -1.454 -99.200 -91.000