============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 15 1.000 3.024 18.031 42.197 -99.200 -91.000 PHE 30 1.000 9.253 15.334 41.835 -99.200 -91.000 PHE 36 1.000 0.610 10.393 52.590 -99.200 -91.000 HIS 38 0.900 -0.298 13.541 47.072 -99.200 -91.000 PHE 42 1.000 8.250 15.084 34.930 -99.200 -91.000 TYR 61 0.840 -3.003 6.084 42.820 -99.200 -91.000 TYR 79 0.840 11.330 18.927 31.513 -99.200 -91.000 TYR 82 0.840 -1.267 15.215 34.865 -99.200 -91.000 HIS 86 0.900 -4.901 13.915 45.425 -99.200 -91.000