============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 6 0.900 -44.692 32.916 7.366 -99.200 -91.000 PHE 12 1.000 -39.567 37.288 -2.996 -99.200 -91.000 PHE 27 1.000 -36.277 31.223 -2.296 -99.200 -91.000 TRP 28 1.040 -38.972 27.344 5.284 -99.200 -91.000 TRP6 28 1.020 -40.056 25.872 6.797 -99.200 -91.000 TRP 31 1.040 -40.915 18.735 1.209 -99.200 -91.000 TRP6 31 1.020 -39.017 18.800 -0.204 -99.200 -91.000 TYR 49 0.840 -23.260 38.598 9.335 -99.200 -91.000 TYR 70 0.840 -36.540 36.065 -7.675 -99.200 -91.000 PHE 81 1.000 -34.138 38.637 -3.723 -99.200 -91.000 PHE 102 1.000 -23.807 34.462 0.098 -99.200 -91.000