============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 5 0.900 -11.167 17.185 77.660 -99.200 -91.000 TYR 6 0.840 -20.291 17.878 83.192 -99.200 -91.000 PHE 47 1.000 -24.294 1.030 69.387 -99.200 -91.000 TYR 52 0.840 -9.377 2.778 78.529 -99.200 -91.000 TYR 64 0.840 -12.847 -6.840 76.945 -99.200 -91.000 HIS 65 0.900 -6.140 -3.345 78.700 -99.200 -91.000 TYR 90 0.840 -14.231 6.240 91.045 -99.200 -91.000 TYR 123 0.840 -15.347 8.211 75.778 -99.200 -91.000 HIS 130 0.900 -9.539 18.224 70.902 -99.200 -91.000 HIS 131 0.900 -17.295 18.591 70.425 -99.200 -91.000