============================================================================= 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 0.930 18.139 20.003 -99.200 -91.000 TRP6 6 1.020 -1.415 17.885 19.752 -99.200 -91.000 TRP 42 1.040 26.430 -12.209 13.583 -99.200 -91.000 TRP6 42 1.020 24.887 -13.402 12.229 -99.200 -91.000 PHE 53 1.000 7.168 -13.419 11.977 -99.200 -91.000 TYR 59 0.840 25.663 -7.809 16.284 -99.200 -91.000 HIS 69 0.900 18.348 9.860 31.034 -99.200 -91.000 PHE 99 1.000 -3.835 7.233 29.566 -99.200 -91.000