============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 24.893 11.334 19.264 -99.200 -91.000 TRP6 6 1.020 27.213 11.504 18.888 -99.200 -91.000 TRP 42 1.040 -0.894 40.888 13.814 -99.200 -91.000 TRP6 42 1.020 0.508 42.085 12.340 -99.200 -91.000 PHE 53 1.000 18.154 42.201 11.629 -99.200 -91.000 TYR 59 0.840 0.084 36.599 16.137 -99.200 -91.000 HIS 69 0.900 7.508 18.806 30.161 -99.200 -91.000 PHE 99 1.000 29.144 21.998 29.295 -99.200 -91.000