============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 4 1.000 36.765 15.718 0.229 -99.200 -91.000 TYR 8 0.840 27.230 17.449 2.440 -99.200 -91.000 HIS 9 0.900 28.742 10.182 7.628 -99.200 -91.000 TRP 22 1.040 18.623 -0.100 3.349 -99.200 -91.000 TRP6 22 1.020 20.752 0.199 4.403 -99.200 -91.000 TYR 31 0.840 31.546 13.196 -5.150 -99.200 -91.000 PHE 33 1.000 22.790 18.227 -6.657 -99.200 -91.000 HIS 37 0.900 24.559 9.818 -13.336 -99.200 -91.000 TRP 46 1.040 20.588 0.816 -11.794 -99.200 -91.000 TRP6 46 1.020 19.500 2.571 -10.602 -99.200 -91.000 TYR 49 0.840 23.179 -0.026 -20.436 -99.200 -91.000 HIS 50 0.900 18.184 3.199 -19.908 -99.200 -91.000 HIS 52 0.900 21.974 11.813 -14.627 -99.200 -91.000 PHE 54 1.000 21.059 14.034 -8.849 -99.200 -91.000 TYR 88 0.840 20.560 22.977 -5.331 -99.200 -91.000 PHE 89 1.000 21.618 16.589 -0.824 -99.200 -91.000 TYR 98 0.840 19.834 9.317 -9.942 -99.200 -91.000 TYR 100 0.840 19.825 4.963 -14.901 -99.200 -91.000 PHE 102 1.000 14.468 11.236 -17.747 -99.200 -91.000 TRP 106 1.040 15.050 1.569 -12.907 -99.200 -91.000 TRP6 106 1.020 13.697 -0.184 -12.032 -99.200 -91.000 TYR 124 0.840 35.630 10.171 2.739 -99.200 -91.000 TRP 143 1.040 3.404 -1.229 -10.517 -99.200 -91.000 TRP6 143 1.020 1.906 -2.201 -9.368 -99.200 -91.000 TYR 145 0.840 13.900 -6.564 -8.761 -99.200 -91.000 HIS 155 0.900 3.599 -17.175 -13.086 -99.200 -91.000 TYR 158 0.840 10.865 -20.907 -11.671 -99.200 -91.000 TRP 164 1.040 13.922 -10.090 -18.776 -99.200 -91.000 TRP6 164 1.020 15.044 -8.344 -17.612 -99.200 -91.000 PHE 169 1.000 18.688 -10.755 -9.402 -99.200 -91.000 TYR 173 0.840 25.968 -10.864 -2.780 -99.200 -91.000 PHE 174 1.000 25.171 -3.490 -1.231 -99.200 -91.000 PHE 181 1.000 31.339 4.479 -4.217 -99.200 -91.000