============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 3 0.840 -10.172 -46.073 -2.067 -99.200 -91.000 TYR 5 0.840 -7.563 -47.155 -10.233 -99.200 -91.000 PHE 7 1.000 -2.406 -45.246 -7.448 -99.200 -91.000 PHE 26 1.000 -1.188 -32.908 -3.447 -99.200 -91.000 TYR 31 0.840 6.684 -21.549 2.532 -99.200 -91.000 TYR 35 0.840 7.317 -26.777 8.672 -99.200 -91.000 PHE 43 1.000 -0.786 -41.125 7.951 -99.200 -91.000 TRP 60 1.040 2.959 -43.042 4.348 -99.200 -91.000 TRP6 60 1.020 3.003 -43.813 6.570 -99.200 -91.000 PHE 68 1.000 22.464 -36.222 12.780 -99.200 -91.000 TYR 75 0.840 9.412 -42.776 4.584 -99.200 -91.000 TYR 76 0.840 12.810 -46.542 1.731 -99.200 -91.000 HIS 80 0.900 0.884 -48.580 -3.981 -99.200 -91.000 TYR 86 0.840 17.445 -31.082 -7.235 -99.200 -91.000 PHE 94 1.000 21.547 -33.049 -9.302 -99.200 -91.000 TRP 100 1.040 18.356 -39.081 -0.100 -99.200 -91.000 TRP6 100 1.020 17.932 -40.152 1.973 -99.200 -91.000 TYR 107 0.840 16.543 -50.210 3.096 -99.200 -91.000 TYR 131 0.840 14.493 -28.107 -16.740 -99.200 -91.000 PHE 137 1.000 20.959 -37.987 -10.974 -99.200 -91.000 PHE 145 1.000 14.324 -31.477 -12.883 -99.200 -91.000 PHE 160 1.000 3.068 -33.943 -3.447 -99.200 -91.000