============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 37 1.000 44.431 16.048 86.710 -99.200 -91.000 TYR 40 0.840 43.994 22.584 74.755 -99.200 -91.000 HIS 64 0.900 56.140 36.340 85.978 -99.200 -91.000 PHE 81 1.000 51.787 16.972 86.031 -99.200 -91.000 PHE 85 1.000 39.984 23.430 84.968 -99.200 -91.000 PHE 90 1.000 40.103 31.420 72.906 -99.200 -91.000