============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 3 0.840 -11.927 -6.057 -16.574 -99.200 -91.000 TYR 12 0.840 -16.765 15.815 -11.320 -99.200 -91.000 TYR 14 0.840 -18.735 18.020 -6.977 -99.200 -91.000 HIS 19 0.900 -8.397 19.501 -7.179 -99.200 -91.000 PHE 48 1.000 -22.186 3.660 -7.261 -99.200 -91.000 PHE 51 1.000 -19.437 3.627 -11.739 -99.200 -91.000 PHE 64 1.000 -22.579 0.744 -19.982 -99.200 -91.000 TYR 71 0.840 -18.985 11.585 -21.336 -99.200 -91.000 PHE 87 1.000 -33.598 7.651 -7.321 -99.200 -91.000 PHE 95 1.000 -44.606 7.283 -12.007 -99.200 -91.000 TYR 100 0.840 -49.618 -5.320 -15.063 -99.200 -91.000 PHE 105 1.000 -44.929 5.927 -16.757 -99.200 -91.000 HIS 132 0.900 -46.756 -11.723 -2.662 -99.200 -91.000 HIS 139 0.900 -52.239 3.913 -0.596 -99.200 -91.000 PHE 143 1.000 -37.329 1.618 2.762 -99.200 -91.000 HIS 199 0.900 -24.156 3.312 5.703 -99.200 -91.000 TYR 207 0.840 -25.939 -12.195 1.175 -99.200 -91.000 PHE 212 1.000 -13.174 -2.011 -7.162 -99.200 -91.000 PHE 229 1.000 -14.494 -5.853 4.344 -99.200 -91.000 HIS 247 0.900 -19.516 -13.473 21.495 -99.200 -91.000