============================================================================= 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 27 1.000 -0.120 -26.759 0.347 -99.200 -91.000 HIS 35 0.900 10.375 -20.554 -1.572 -99.200 -91.000 TRP 36 1.040 7.971 -18.057 6.364 -99.200 -91.000 TRP6 36 1.020 6.001 -17.116 7.266 -99.200 -91.000 TRP 47 1.040 13.546 -16.514 -0.542 -99.200 -91.000 TRP6 47 1.020 15.776 -16.919 0.115 -99.200 -91.000 TRP 50 1.040 14.828 -22.160 -0.311 -99.200 -91.000 TRP6 50 1.020 15.573 -24.374 0.095 -99.200 -91.000 TYR 60 0.840 17.404 -19.679 7.441 -99.200 -91.000 PHE 68 1.000 14.234 -12.817 10.546 -99.200 -91.000 TYR 80 0.840 5.218 -23.620 13.405 -99.200 -91.000 TYR 94 0.840 8.414 -10.305 7.981 -99.200 -91.000 TYR 95 0.840 2.387 -10.433 1.452 -99.200 -91.000 TYR 102 0.840 2.969 -27.192 -12.596 -99.200 -91.000 TYR 107 0.840 -3.348 -22.171 -4.483 -99.200 -91.000 TRP 108 1.040 1.931 -15.692 -3.541 -99.200 -91.000 TRP6 108 1.020 3.854 -14.441 -2.996 -99.200 -91.000 PHE 127 1.000 -8.048 16.282 16.412 -99.200 -91.000 TYR 144 0.840 -2.920 5.905 12.873 -99.200 -91.000 PHE 145 1.000 4.403 2.972 16.382 -99.200 -91.000 TRP 153 1.040 -16.481 8.221 5.708 -99.200 -91.000 TRP6 153 1.020 -16.695 10.303 6.773 -99.200 -91.000 HIS 163 0.900 -11.540 8.916 -3.616 -99.200 -91.000 PHE 165 1.000 -6.680 11.263 0.292 -99.200 -91.000 TYR 175 0.840 2.606 4.931 11.014 -99.200 -91.000 TYR 193 0.840 -23.258 13.151 5.151 -99.200 -91.000 HIS 199 0.900 -4.386 2.190 16.749 -99.200 -91.000