============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 27 1.000 -16.000 26.277 -7.632 -99.200 -91.000 PHE 29 1.000 -17.646 20.415 -10.159 -99.200 -91.000 TYR 32 0.840 -13.774 28.070 -11.809 -99.200 -91.000 TRP 36 1.040 -9.375 13.973 -8.542 -99.200 -91.000 TRP6 36 1.020 -10.240 13.923 -6.340 -99.200 -91.000 TRP 47 1.040 -1.965 17.344 -12.721 -99.200 -91.000 TRP6 47 1.020 -1.629 16.110 -14.712 -99.200 -91.000 TYR 59 0.840 -5.546 16.971 -21.094 -99.200 -91.000 TYR 60 0.840 -6.640 9.932 -16.684 -99.200 -91.000 PHE 68 1.000 -4.765 6.425 -9.811 -99.200 -91.000 TYR 80 0.840 -18.323 11.455 -8.561 -99.200 -91.000 TYR 93 0.840 -4.381 9.773 -4.226 -99.200 -91.000 TYR 94 0.840 -3.768 17.805 -0.171 -99.200 -91.000 TYR 99 0.840 -5.198 33.348 -10.037 -99.200 -91.000 TYR 102 0.840 -6.986 39.576 -17.454 -99.200 -91.000 PHE 113 1.000 -3.677 22.652 -9.905 -99.200 -91.000 TRP 116 1.040 -4.515 23.631 -3.328 -99.200 -91.000 TRP6 116 1.020 -3.020 21.968 -4.079 -99.200 -91.000 PHE 135 1.000 -2.877 0.471 27.384 -99.200 -91.000 TYR 147 0.840 -2.963 4.403 15.016 -99.200 -91.000 PHE 148 1.000 -1.710 -0.800 8.686 -99.200 -91.000 TRP 156 1.040 -6.423 16.140 24.904 -99.200 -91.000 TRP6 156 1.020 -6.004 14.760 26.767 -99.200 -91.000 HIS 166 0.900 2.928 20.773 22.026 -99.200 -91.000 PHE 168 1.000 4.982 14.544 21.362 -99.200 -91.000 TYR 178 0.840 1.792 3.720 11.136 -99.200 -91.000 TYR 189 0.840 -8.358 18.421 32.268 -99.200 -91.000 HIS 195 0.900 -7.951 3.202 13.243 -99.200 -91.000