============================================================================= 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. HIS 6 0.900 -1.199 -8.045 5.497 -99.200 -91.000 TRP 17 1.040 13.029 11.706 -3.027 -99.200 -91.000 TRP6 17 1.020 12.263 12.366 -5.171 -99.200 -91.000 TYR 23 0.840 12.492 17.617 -8.399 -99.200 -91.000 TYR 28 0.840 8.452 17.871 -10.527 -99.200 -91.000 TYR 30 0.840 2.487 13.304 -2.008 -99.200 -91.000 TRP 43 1.040 11.389 -4.602 -5.877 -99.200 -91.000 TRP6 43 1.020 11.747 -2.631 -4.637 -99.200 -91.000 HIS 45 0.900 3.592 -12.022 -8.370 -99.200 -91.000 TYR 55 0.840 -2.062 4.955 6.029 -99.200 -91.000 HIS 89 0.900 -4.909 -13.908 -12.196 -99.200 -91.000 TRP 90 1.040 0.052 -8.671 -8.909 -99.200 -91.000 TRP6 90 1.020 1.192 -6.612 -8.776 -99.200 -91.000 PHE 122 1.000 1.657 -9.395 -4.347 -99.200 -91.000 HIS 123 0.900 -5.190 -12.529 -2.611 -99.200 -91.000 TYR 130 0.840 -6.986 2.129 7.832 -99.200 -91.000 TYR 171 0.840 -12.392 -0.279 5.614 -99.200 -91.000 PHE 193 1.000 -0.861 0.790 6.974 -99.200 -91.000 TRP 196 1.040 -8.542 -6.105 15.737 -99.200 -91.000 TRP6 196 1.020 -9.739 -5.819 17.760 -99.200 -91.000 TYR 200 0.840 -0.520 -9.644 19.807 -99.200 -91.000 TRP 204 1.040 13.594 -3.273 8.613 -99.200 -91.000 TRP6 204 1.020 13.814 -1.810 6.770 -99.200 -91.000 PHE 205 1.000 10.233 1.576 13.247 -99.200 -91.000 HIS 209 0.900 12.896 11.842 3.448 -99.200 -91.000 TRP 210 1.040 7.177 5.036 -1.064 -99.200 -91.000 TRP6 210 1.020 7.660 2.776 -0.575 -99.200 -91.000 PHE 213 1.000 11.832 0.462 0.960 -99.200 -91.000 HIS 215 0.900 15.306 -6.085 -4.972 -99.200 -91.000 PHE 218 1.000 10.935 -6.782 -0.660 -99.200 -91.000 TYR 225 0.840 9.052 -11.516 9.376 -99.200 -91.000