============================================================================= 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. HIS 4 0.900 39.274 2.871 -44.267 -99.200 -91.000 TYR 37 0.840 55.262 22.488 -67.382 -99.200 -91.000 PHE 47 1.000 60.515 26.361 -49.515 -99.200 -91.000 TYR 58 0.840 61.328 25.269 -34.232 -99.200 -91.000 HIS 61 0.900 61.751 21.296 -27.232 -99.200 -91.000 TYR 74 0.840 58.547 30.438 -33.335 -99.200 -91.000 TYR 84 0.840 58.511 40.872 -41.680 -99.200 -91.000 PHE 86 1.000 50.470 33.401 -42.968 -99.200 -91.000