============================================================================= 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. TRP 4 1.040 21.178 0.815 4.311 -99.200 -91.000 TRP6 4 1.020 19.037 -0.082 4.702 -99.200 -91.000 HIS 37 0.900 10.428 -15.452 7.022 -99.200 -91.000 PHE 56 1.000 3.775 -10.209 -3.336 -99.200 -91.000 TYR 88 0.840 7.300 6.430 -0.827 -99.200 -91.000 TYR 90 0.840 0.238 -1.452 5.749 -99.200 -91.000 TYR 98 0.840 -1.995 -6.713 16.387 -99.200 -91.000 HIS 102 0.900 -0.197 9.878 10.297 -99.200 -91.000