============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 1 0.900 13.886 23.072 17.310 -99.200 -91.000 PHE 13 1.000 11.358 9.845 2.151 -99.200 -91.000 PHE 26 1.000 10.456 -5.410 9.576 -99.200 -91.000 PHE 44 1.000 0.641 11.412 13.055 -99.200 -91.000 TYR 64 0.840 4.825 22.684 5.165 -99.200 -91.000 HIS 84 0.900 8.374 16.409 -1.636 -99.200 -91.000 PHE 91 1.000 7.318 5.753 2.697 -99.200 -91.000 TYR 96 0.840 -6.635 9.782 4.123 -99.200 -91.000 TYR 99 0.840 3.444 7.356 15.402 -99.200 -91.000 PHE 102 1.000 5.480 13.025 11.695 -99.200 -91.000 PHE 122 1.000 20.455 -9.579 4.425 -99.200 -91.000 PHE 125 1.000 12.865 -6.273 4.303 -99.200 -91.000 PHE 142 1.000 7.007 -3.286 -1.931 -99.200 -91.000 TRP 152 1.040 16.329 -8.123 -8.729 -99.200 -91.000 TRP6 152 1.020 16.230 -7.905 -6.393 -99.200 -91.000 HIS 153 0.900 18.899 -1.997 -14.484 -99.200 -91.000 PHE 169 1.000 23.981 -6.742 7.366 -99.200 -91.000 PHE 172 1.000 18.992 -4.213 3.863 -99.200 -91.000