============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 16 1.000 32.877 17.362 0.820 -99.200 -91.000 PHE 31 1.000 36.345 22.398 1.109 -99.200 -91.000 PHE 53 1.000 33.960 19.265 6.060 -99.200 -91.000 TRP 71 1.040 33.183 23.982 8.839 -99.200 -91.000 TRP6 71 1.020 34.083 22.088 9.937 -99.200 -91.000 TRP 77 1.040 50.125 25.513 4.619 -99.200 -91.000 TRP6 77 1.020 52.455 25.423 4.204 -99.200 -91.000 TRP 104 1.040 48.622 22.511 13.989 -99.200 -91.000 TRP6 104 1.020 46.765 22.308 15.395 -99.200 -91.000 HIS 105 0.900 53.597 16.193 13.696 -99.200 -91.000 HIS 110 0.900 42.247 12.511 -3.930 -99.200 -91.000