============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 27 1.040 -19.450 -28.380 21.013 -99.200 -91.000 TRP6 27 1.020 -17.753 -30.018 20.826 -99.200 -91.000 TYR 35 0.840 -16.611 -37.811 12.572 -99.200 -91.000 TYR 43 0.840 -7.680 -44.239 28.702 -99.200 -91.000 TYR 60 0.840 -20.281 -35.455 21.272 -99.200 -91.000 PHE 65 1.000 -20.792 -26.121 13.933 -99.200 -91.000 HIS 69 0.900 -10.906 -35.088 18.194 -99.200 -91.000 HIS 83 0.900 -7.044 -31.199 18.754 -99.200 -91.000 PHE 87 1.000 -11.618 -30.903 11.975 -99.200 -91.000 TYR 92 0.840 -25.607 -25.931 6.283 -99.200 -91.000 PHE 97 1.000 -13.685 -23.206 19.359 -99.200 -91.000 TYR 128 0.840 -18.377 -16.750 12.016 -99.200 -91.000 PHE 140 1.000 -5.381 -12.504 26.720 -99.200 -91.000 TRP 149 1.040 2.770 -24.898 11.884 -99.200 -91.000 TRP6 149 1.020 0.706 -24.929 13.064 -99.200 -91.000 PHE 153 1.000 -3.865 -21.361 13.781 -99.200 -91.000 TYR 156 0.840 -11.151 -10.538 14.568 -99.200 -91.000 PHE 159 1.000 1.288 -19.467 20.318 -99.200 -91.000 PHE 171 1.000 -7.237 -18.666 25.552 -99.200 -91.000 PHE 178 1.000 -12.419 -16.122 19.659 -99.200 -91.000 HIS 182 0.900 -18.180 -21.772 14.587 -99.200 -91.000 HIS 184 0.900 -27.183 -15.540 16.063 -99.200 -91.000 HIS 200 0.900 -16.717 -21.456 2.475 -99.200 -91.000 HIS 206 0.900 -3.413 -24.031 3.201 -99.200 -91.000 TYR 207 0.840 -7.797 -25.505 10.857 -99.200 -91.000 PHE 225 1.000 0.061 -43.828 21.883 -99.200 -91.000 TRP 229 1.040 -0.740 -44.796 17.889 -99.200 -91.000 TRP6 229 1.020 -1.272 -42.664 18.787 -99.200 -91.000 TYR 233 0.840 -4.444 -39.554 18.026 -99.200 -91.000 PHE 239 1.000 -4.830 -30.740 13.544 -99.200 -91.000