============================================================================= 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. TYR 6 0.840 -2.246 39.400 8.322 -99.200 -91.000 HIS 21 0.900 -6.849 17.666 3.232 -99.200 -91.000 TYR 27 0.840 0.555 18.600 -10.245 -99.200 -91.000 PHE 43 1.000 -9.107 18.152 -17.906 -99.200 -91.000 TYR 81 0.840 -13.132 22.978 -16.752 -99.200 -91.000 TYR 98 0.840 10.885 35.097 -0.510 -99.200 -91.000