============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 14 0.840 -17.878 47.855 2.088 -99.200 -91.000 PHE 17 1.000 -14.158 60.906 -4.755 -99.200 -91.000 TYR 25 0.840 -6.003 65.471 -11.834 -99.200 -91.000 PHE 30 1.000 -12.273 56.566 -7.501 -99.200 -91.000 TYR 33 0.840 -12.486 44.165 1.302 -99.200 -91.000 PHE 47 1.000 -8.793 43.066 -14.376 -99.200 -91.000 TYR 49 0.840 -7.930 48.562 -12.229 -99.200 -91.000 TYR 59 0.840 -24.829 50.138 -2.997 -99.200 -91.000 TRP 69 1.040 -33.274 44.840 -12.546 -99.200 -91.000 TRP6 69 1.020 -32.743 44.431 -10.260 -99.200 -91.000 HIS 79 0.900 -23.632 44.081 -22.347 -99.200 -91.000 PHE 100 1.000 -24.541 39.501 -8.072 -99.200 -91.000 PHE 104 1.000 -16.270 41.348 -2.426 -99.200 -91.000 TYR 113 0.840 -32.697 53.838 18.045 -99.200 -91.000 TYR 133 0.840 -39.496 50.787 11.102 -99.200 -91.000 PHE 144 1.000 -35.211 40.221 3.837 -99.200 -91.000 PHE 145 1.000 -36.774 44.939 6.020 -99.200 -91.000 TYR 153 0.840 -38.086 40.138 8.667 -99.200 -91.000 TRP 157 1.040 -42.693 47.654 1.357 -99.200 -91.000 TRP6 157 1.020 -40.848 49.059 0.857 -99.200 -91.000 PHE 159 1.000 -42.708 53.952 9.683 -99.200 -91.000 TYR 184 0.840 -33.813 56.587 9.922 -99.200 -91.000 PHE 186 1.000 -29.317 53.198 7.249 -99.200 -91.000 PHE 195 1.000 -15.519 51.972 8.802 -99.200 -91.000 TYR 215 0.840 -21.163 43.409 0.660 -99.200 -91.000 TYR 225 0.840 -12.494 39.710 -18.163 -99.200 -91.000 HIS 243 0.900 -8.316 37.478 8.896 -99.200 -91.000 TRP 249 1.040 -9.002 48.747 3.362 -99.200 -91.000 TRP6 249 1.020 -8.540 51.065 3.005 -99.200 -91.000 TRP 250 1.040 -15.038 46.386 8.476 -99.200 -91.000 TRP6 250 1.020 -14.628 46.174 6.139 -99.200 -91.000