============================================================================= 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. PHE 3 1.000 15.123 43.527 16.544 -99.200 -91.000 HIS 4 0.900 17.335 39.338 16.616 -99.200 -91.000 TYR 5 0.840 14.633 32.391 20.395 -99.200 -91.000 PHE 29 1.000 0.667 31.017 18.843 -99.200 -91.000 TRP 33 1.040 -1.019 38.068 3.491 -99.200 -91.000 TRP6 33 1.020 0.523 39.815 3.908 -99.200 -91.000 PHE 35 1.000 5.028 40.446 1.821 -99.200 -91.000 PHE 48 1.000 15.600 41.785 0.226 -99.200 -91.000 TYR 74 0.840 -2.223 51.342 17.762 -99.200 -91.000 PHE 75 1.000 3.277 47.020 19.729 -99.200 -91.000 TYR 82 0.840 16.455 36.180 8.387 -99.200 -91.000