============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 38 0.840 -19.709 51.456 47.596 -99.200 -91.000 PHE 42 1.000 -16.861 57.581 47.536 -99.200 -91.000 TYR 57 0.840 -9.475 35.229 40.126 -99.200 -91.000 PHE 62 1.000 -12.244 43.780 37.153 -99.200 -91.000 TYR 64 0.840 -19.638 46.519 35.286 -99.200 -91.000 TYR 69 0.840 -19.072 53.530 36.859 -99.200 -91.000 PHE 75 1.000 -4.974 39.678 30.451 -99.200 -91.000 TYR 79 0.840 -4.391 36.578 36.280 -99.200 -91.000 TYR 82 0.840 6.282 37.901 36.629 -99.200 -91.000 PHE 85 1.000 8.467 46.203 39.801 -99.200 -91.000 TYR 86 0.840 4.662 42.548 34.119 -99.200 -91.000 TYR 89 0.840 7.640 47.182 33.192 -99.200 -91.000 TYR 99 0.840 -5.689 60.956 44.200 -99.200 -91.000 TYR 106 0.840 -17.632 50.715 52.068 -99.200 -91.000 PHE 108 1.000 -16.480 52.641 56.440 -99.200 -91.000 PHE 112 1.000 -10.352 58.618 45.870 -99.200 -91.000 TYR 121 0.840 2.654 56.221 50.813 -99.200 -91.000 PHE 122 1.000 -4.919 61.021 50.190 -99.200 -91.000 TYR 125 0.840 -3.326 54.849 65.780 -99.200 -91.000 TRP 133 1.040 4.496 46.834 53.755 -99.200 -91.000 TRP6 133 1.020 5.784 47.270 51.832 -99.200 -91.000 PHE 134 1.000 2.640 49.279 61.376 -99.200 -91.000 TYR 137 0.840 3.071 60.715 60.077 -99.200 -91.000 TYR 141 0.840 0.956 66.114 59.544 -99.200 -91.000 PHE 161 1.000 -1.512 63.563 43.102 -99.200 -91.000 TRP 162 1.040 2.305 57.787 44.221 -99.200 -91.000 TRP6 162 1.020 3.860 57.678 45.983 -99.200 -91.000 PHE 173 1.000 14.439 55.159 42.928 -99.200 -91.000 TYR 178 0.840 10.754 44.702 32.770 -99.200 -91.000 PHE 183 1.000 10.195 41.921 37.188 -99.200 -91.000 TYR 187 0.840 2.846 43.456 48.456 -99.200 -91.000 TRP 188 1.040 2.324 50.260 43.982 -99.200 -91.000 TRP6 188 1.020 2.978 52.523 44.086 -99.200 -91.000 TYR 202 0.840 5.742 66.360 52.083 -99.200 -91.000 TYR 212 0.840 -13.314 47.038 57.420 -99.200 -91.000 TYR 220 0.840 -18.482 40.677 52.395 -99.200 -91.000