============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 4 1.000 -3.374 2.681 -17.066 -99.200 -91.000 HIS 7 0.900 -5.902 -4.047 -3.392 -99.200 -91.000 TYR 12 0.840 -13.193 -9.970 -9.808 -99.200 -91.000 HIS 14 0.900 -19.793 -1.454 -6.300 -99.200 -91.000 PHE 34 1.000 -19.831 7.945 -13.775 -99.200 -91.000 HIS 42 0.900 -24.174 -4.835 -17.769 -99.200 -91.000 TYR 44 0.840 -20.887 -0.873 -15.012 -99.200 -91.000 TRP 54 1.040 -9.885 7.836 -11.101 -99.200 -91.000 TRP6 54 1.020 -10.102 10.188 -10.834 -99.200 -91.000 PHE 68 1.000 -18.590 -1.150 0.893 -99.200 -91.000 TYR 95 0.840 -12.271 -7.272 -15.225 -99.200 -91.000 TRP 102 1.040 -23.368 -13.119 -2.186 -99.200 -91.000 TRP6 102 1.020 -24.692 -13.412 -0.256 -99.200 -91.000 TRP 110 1.040 -10.098 3.725 0.244 -99.200 -91.000 TRP6 110 1.020 -11.067 5.715 -0.630 -99.200 -91.000 HIS 113 0.900 -7.746 9.193 -8.085 -99.200 -91.000 TYR 137 0.840 -21.028 2.649 -25.578 -99.200 -91.000