============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 8 1.000 40.258 18.422 16.333 -99.200 -91.000 PHE 13 1.000 37.602 20.959 12.167 -99.200 -91.000 HIS 16 0.900 49.390 16.811 20.502 -99.200 -91.000 HIS 18 0.900 43.926 19.035 24.109 -99.200 -91.000 TRP 45 1.040 29.541 21.822 24.032 -99.200 -91.000 TRP6 45 1.020 30.761 21.017 25.897 -99.200 -91.000 TYR 48 0.840 31.785 31.376 29.747 -99.200 -91.000 PHE 58 1.000 34.808 34.315 22.141 -99.200 -91.000 PHE 60 1.000 33.131 27.707 20.083 -99.200 -91.000 TYR 65 0.840 31.608 26.621 15.467 -99.200 -91.000 TRP 68 1.040 42.125 33.329 13.805 -99.200 -91.000 TRP6 68 1.020 41.240 35.518 13.625 -99.200 -91.000 TRP 71 1.040 35.979 31.051 18.283 -99.200 -91.000 TRP6 71 1.020 37.489 29.464 17.385 -99.200 -91.000