============================================================================= 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. PHE 48 1.000 15.295 26.546 35.181 -99.200 -91.000 PHE 56 1.000 16.079 25.320 31.043 -99.200 -91.000 HIS 71 0.900 18.462 12.671 17.092 -99.200 -91.000 HIS 94 0.900 8.024 15.267 15.463 -99.200 -91.000 TYR 98 0.840 3.289 9.455 30.606 -99.200 -91.000 TYR 128 0.840 8.621 11.445 41.815 -99.200 -91.000 TYR 139 0.840 5.951 14.134 30.899 -99.200 -91.000 HIS 160 0.900 4.456 -2.216 25.455 -99.200 -91.000