============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 3 1.000 60.676 4.011 6.713 -99.200 -91.000 PHE 37 1.000 63.430 10.034 11.946 -99.200 -91.000 PHE 40 1.000 61.647 5.048 11.875 -99.200 -91.000 TYR 76 0.840 57.491 -1.805 12.595 -99.200 -91.000 TYR 80 0.840 59.521 8.818 15.319 -99.200 -91.000 TRP 99 1.040 49.902 7.998 17.972 -99.200 -91.000 TRP6 99 1.020 49.541 6.111 19.359 -99.200 -91.000