============================================================================= 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 0.912 18.003 19.451 -99.200 -91.000 TRP6 6 1.020 -1.417 17.890 19.079 -99.200 -91.000 TRP 42 1.040 26.143 -12.004 13.396 -99.200 -91.000 TRP6 42 1.020 24.825 -13.455 12.078 -99.200 -91.000 PHE 53 1.000 6.985 -13.381 11.869 -99.200 -91.000 TYR 59 0.840 25.323 -7.773 16.042 -99.200 -91.000 HIS 68 0.900 17.938 9.840 30.585 -99.200 -91.000 PHE 97 1.000 -3.631 7.168 29.284 -99.200 -91.000