============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 7 1.040 -4.084 -9.044 7.307 -99.200 -91.000 TRP6 7 1.020 -5.166 -9.474 9.344 -99.200 -91.000 TYR 12 0.840 -8.381 -6.524 9.084 -99.200 -91.000 TRP 26 1.040 2.516 9.610 -3.105 -99.200 -91.000 TRP6 26 1.020 1.092 10.952 -1.789 -99.200 -91.000 PHE 28 1.000 -4.525 5.117 -5.912 -99.200 -91.000 PHE 39 1.000 -13.095 -5.097 8.759 -99.200 -91.000 TYR 72 0.840 7.393 12.993 4.219 -99.200 -91.000 PHE 74 1.000 0.341 5.533 6.817 -99.200 -91.000 TYR 76 0.840 -4.011 15.680 4.849 -99.200 -91.000 TYR 89 0.840 -10.777 15.485 -2.016 -99.200 -91.000 TYR 91 0.840 -6.526 8.807 -8.504 -99.200 -91.000 TYR 100 0.840 -10.636 17.111 5.732 -99.200 -91.000 TYR 104 0.840 -19.719 14.912 2.462 -99.200 -91.000 PHE 112 1.000 4.978 8.021 10.768 -99.200 -91.000 HIS 140 0.900 14.337 -4.347 -12.246 -99.200 -91.000 PHE 143 1.000 5.904 -4.812 -9.937 -99.200 -91.000 PHE 145 1.000 6.476 -6.478 -20.605 -99.200 -91.000 TYR 146 0.840 3.171 -11.338 -11.026 -99.200 -91.000 TYR 151 0.840 9.023 -9.238 -10.013 -99.200 -91.000 PHE 152 1.000 14.972 -14.143 -6.994 -99.200 -91.000 HIS 163 0.900 4.328 1.084 -7.646 -99.200 -91.000 TYR 170 0.840 2.664 -14.417 6.417 -99.200 -91.000 PHE 172 1.000 2.890 -23.476 2.407 -99.200 -91.000 TYR 182 0.840 2.254 -16.483 -1.804 -99.200 -91.000 TRP 183 1.040 7.111 -10.646 1.625 -99.200 -91.000 TRP6 183 1.020 6.482 -10.613 3.879 -99.200 -91.000 TRP 189 1.040 0.878 0.315 -11.460 -99.200 -91.000 TRP6 189 1.020 2.845 -0.798 -12.121 -99.200 -91.000 TRP 193 1.040 0.862 -5.133 -13.268 -99.200 -91.000 TRP6 193 1.020 1.224 -5.824 -11.062 -99.200 -91.000 TYR 198 0.840 -4.538 -8.243 -4.388 -99.200 -91.000 HIS 208 0.900 14.147 -10.484 -5.282 -99.200 -91.000 TYR 217 0.840 1.735 -0.749 12.274 -99.200 -91.000