============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 27 0.840 -22.764 -8.275 53.855 -99.200 -91.000 PHE 29 1.000 -17.667 -10.336 50.197 -99.200 -91.000 TYR 32 0.840 -27.177 -11.245 53.617 -99.200 -91.000 TRP 33 1.040 -27.267 -14.544 45.835 -99.200 -91.000 TRP6 33 1.020 -26.556 -15.675 43.902 -99.200 -91.000 HIS 35 0.900 -28.323 -8.960 42.662 -99.200 -91.000 TRP 36 1.040 -20.854 -5.723 40.412 -99.200 -91.000 TRP6 36 1.020 -19.478 -3.887 40.987 -99.200 -91.000 TRP 47 1.040 -29.249 -7.454 37.729 -99.200 -91.000 TRP6 47 1.020 -28.608 -9.555 36.895 -99.200 -91.000 TYR 52 0.840 -24.293 -17.437 47.885 -99.200 -91.000 TYR 59 0.840 -28.323 -17.340 38.047 -99.200 -91.000 TYR 60 0.840 -21.127 -12.671 34.355 -99.200 -91.000 PHE 64 1.000 -24.602 -4.769 30.684 -99.200 -91.000 PHE 80 1.000 -11.725 -6.688 43.522 -99.200 -91.000 TYR 93 0.840 -20.579 1.079 34.925 -99.200 -91.000 PHE 94 1.000 -25.507 3.730 41.711 -99.200 -91.000 TYR 101 0.840 -26.955 -21.257 51.040 -99.200 -91.000 TYR 102 0.840 -26.528 -21.391 45.897 -99.200 -91.000 TYR 104 0.840 -37.644 -17.910 48.676 -99.200 -91.000 TRP 106 1.040 -36.861 -6.720 50.708 -99.200 -91.000 TRP6 106 1.020 -36.657 -8.127 52.592 -99.200 -91.000 PHE 107 1.000 -32.340 -5.844 43.193 -99.200 -91.000 TYR 109 0.840 -28.633 -2.732 54.134 -99.200 -91.000 TRP 110 1.040 -29.323 -0.275 46.153 -99.200 -91.000 TRP6 110 1.020 -29.316 -0.307 43.796 -99.200 -91.000 TYR 129 0.840 -17.896 28.325 19.476 -99.200 -91.000 TYR 152 0.840 -16.623 21.989 29.914 -99.200 -91.000 PHE 153 1.000 -11.332 15.062 30.054 -99.200 -91.000 TRP 161 1.040 -24.577 35.062 32.263 -99.200 -91.000 TRP6 161 1.020 -24.610 35.508 29.961 -99.200 -91.000 HIS 171 0.900 -32.868 30.322 34.546 -99.200 -91.000 PHE 173 1.000 -30.030 25.853 30.948 -99.200 -91.000 TYR 182 0.840 -17.430 16.210 31.016 -99.200 -91.000 TRP 195 1.040 -27.625 42.801 24.697 -99.200 -91.000 TRP6 195 1.020 -28.422 41.784 22.723 -99.200 -91.000 HIS 206 0.900 -11.184 23.548 31.632 -99.200 -91.000