============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 41.719 -3.879 14.816 -99.200 -91.000 TYR 21 0.840 21.949 1.487 -2.611 -99.200 -91.000 TRP 31 1.040 30.377 10.196 1.300 -99.200 -91.000 TRP6 31 1.020 29.601 11.216 -0.684 -99.200 -91.000 TRP 41 1.040 35.740 -0.137 5.902 -99.200 -91.000 TRP6 41 1.020 34.949 -1.706 4.320 -99.200 -91.000 PHE 43 1.000 40.952 -3.349 9.424 -99.200 -91.000 PHE 70 1.000 30.053 -11.620 -4.045 -99.200 -91.000 TRP 82 1.040 41.195 -7.513 1.549 -99.200 -91.000 TRP6 82 1.020 41.794 -6.445 -0.463 -99.200 -91.000 TYR 117 0.840 56.607 0.327 -2.487 -99.200 -91.000 TRP 123 1.040 44.759 2.795 1.107 -99.200 -91.000 TRP6 123 1.020 42.802 3.925 0.369 -99.200 -91.000 TYR 139 0.840 72.026 18.263 12.789 -99.200 -91.000 TRP 154 1.040 64.314 26.807 5.029 -99.200 -91.000 TRP6 154 1.020 63.825 27.446 2.817 -99.200 -91.000 TRP 167 1.040 55.435 20.033 9.004 -99.200 -91.000 TRP6 167 1.020 55.698 20.592 6.717 -99.200 -91.000 TYR 170 0.840 45.205 15.669 4.777 -99.200 -91.000 TYR 190 0.840 60.403 8.813 -7.378 -99.200 -91.000 TRP 209 1.040 57.013 12.078 2.334 -99.200 -91.000 TRP6 209 1.020 59.314 11.995 1.877 -99.200 -91.000 PHE 210 1.000 57.005 2.997 7.807 -99.200 -91.000 PHE 211 1.000 56.297 10.856 10.115 -99.200 -91.000 PHE 241 1.000 73.315 10.416 1.770 -99.200 -91.000 TRP 251 1.040 63.712 13.487 10.218 -99.200 -91.000 TRP6 251 1.020 63.949 15.744 9.727 -99.200 -91.000