============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 51.819 107.430 -18.785 -99.200 -91.000 HIS 5 0.900 54.450 97.698 -25.852 -99.200 -91.000 HIS 31 0.900 46.153 88.709 -11.806 -99.200 -91.000 PHE 35 1.000 42.579 91.963 -16.619 -99.200 -91.000 TYR 39 0.840 43.445 96.188 -26.733 -99.200 -91.000 HIS 54 0.900 33.233 97.736 -22.056 -99.200 -91.000 PHE 55 1.000 40.368 94.165 -20.462 -99.200 -91.000 TRP 67 1.040 33.344 88.877 -5.822 -99.200 -91.000 TRP6 67 1.020 31.663 87.799 -7.075 -99.200 -91.000 PHE 82 1.000 34.902 91.835 -21.138 -99.200 -91.000 PHE 108 1.000 36.419 87.002 -27.561 -99.200 -91.000 TRP 125 1.040 24.562 78.502 -28.065 -99.200 -91.000 TRP6 125 1.020 24.423 77.047 -29.923 -99.200 -91.000 HIS 137 0.900 23.876 74.479 -15.629 -99.200 -91.000 TYR 141 0.840 25.989 77.908 -11.411 -99.200 -91.000 PHE 162 1.000 20.763 79.927 -13.831 -99.200 -91.000 HIS 211 0.900 23.621 103.313 -8.526 -99.200 -91.000 TYR 225 0.840 7.970 82.621 -10.226 -99.200 -91.000 HIS 235 0.900 3.043 89.047 -20.702 -99.200 -91.000