============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 -34.439 51.285 -6.016 -99.200 -91.000 PHE 29 1.000 -36.653 44.737 -6.047 -99.200 -91.000 TYR 32 0.840 -31.249 51.781 -10.428 -99.200 -91.000 TRP 36 1.040 -27.882 40.882 -0.343 -99.200 -91.000 TRP6 36 1.020 -28.771 41.287 1.787 -99.200 -91.000 TRP 47 1.040 -19.805 42.969 -4.275 -99.200 -91.000 TRP6 47 1.020 -20.083 41.335 -5.949 -99.200 -91.000 TRP 50 1.040 -26.016 41.657 -9.235 -99.200 -91.000 TRP6 50 1.020 -25.085 40.829 -11.143 -99.200 -91.000 TYR 54 0.840 -32.556 44.137 -16.395 -99.200 -91.000 TYR 60 0.840 -25.639 32.561 -4.300 -99.200 -91.000 PHE 64 1.000 -18.912 35.565 1.947 -99.200 -91.000 PHE 68 1.000 -22.512 33.281 4.144 -99.200 -91.000 PHE 70 1.000 -26.414 36.937 -2.077 -99.200 -91.000 TYR 80 0.840 -37.120 38.385 2.061 -99.200 -91.000 TYR 93 0.840 -23.782 39.492 7.181 -99.200 -91.000 PHE 94 1.000 -22.966 48.201 5.913 -99.200 -91.000 TYR 100 0.840 -28.389 45.987 -14.378 -99.200 -91.000 TRP 103 1.040 -20.934 47.863 -14.159 -99.200 -91.000 TRP6 103 1.020 -19.223 47.150 -15.576 -99.200 -91.000 TYR 104 0.840 -22.878 55.032 -9.632 -99.200 -91.000 PHE 105 1.000 -21.364 47.805 -5.161 -99.200 -91.000 TRP 108 1.040 -23.416 51.921 0.087 -99.200 -91.000 TRP6 108 1.020 -21.887 50.229 0.590 -99.200 -91.000 TYR 127 0.840 -15.848 42.564 40.514 -99.200 -91.000 TYR 150 0.840 -21.078 43.593 29.455 -99.200 -91.000 PHE 151 1.000 -24.095 37.133 24.609 -99.200 -91.000 TRP 159 1.040 -18.261 57.285 35.909 -99.200 -91.000 TRP6 159 1.020 -17.070 56.452 37.707 -99.200 -91.000 HIS 169 0.900 -11.513 59.558 28.617 -99.200 -91.000 PHE 171 1.000 -10.818 53.587 28.073 -99.200 -91.000 TYR 180 0.840 -19.880 41.132 24.523 -99.200 -91.000 HIS 204 0.900 -26.616 43.229 30.626 -99.200 -91.000