============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 12 0.840 -25.942 25.204 -14.412 -99.200 -91.000 HIS 14 0.900 -20.320 29.382 -22.601 -99.200 -91.000 PHE 18 1.000 -33.091 26.849 -19.156 -99.200 -91.000 PHE 22 1.000 -23.802 16.873 -22.412 -99.200 -91.000 HIS 23 0.900 -28.230 22.433 -18.059 -99.200 -91.000 HIS 43 0.900 -13.051 30.220 -16.768 -99.200 -91.000 PHE 46 1.000 -17.047 25.681 -20.881 -99.200 -91.000 PHE 70 1.000 -13.414 16.438 -13.433 -99.200 -91.000 HIS 79 0.900 -26.905 7.576 -0.776 -99.200 -91.000 TRP 107 1.040 -20.654 4.815 -16.957 -99.200 -91.000 TRP6 107 1.020 -22.887 4.012 -16.973 -99.200 -91.000 PHE 111 1.000 -29.362 11.133 -10.298 -99.200 -91.000