============================================================================= 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. PHE 6 1.000 6.314 -8.021 11.777 -99.200 -91.000 PHE 10 1.000 10.436 -11.275 4.696 -99.200 -91.000 HIS 13 0.900 14.258 -8.050 -4.632 -99.200 -91.000 PHE 19 1.000 13.430 -14.958 2.495 -99.200 -91.000 PHE 23 1.000 11.453 -16.329 7.972 -99.200 -91.000 PHE 29 1.000 16.873 -12.562 18.471 -99.200 -91.000 PHE 30 1.000 12.176 -12.210 15.785 -99.200 -91.000 PHE 36 1.000 8.019 -17.812 18.324 -99.200 -91.000 HIS 39 0.900 8.869 -19.947 12.426 -99.200 -91.000 TYR 51 0.840 9.941 -17.716 0.309 -99.200 -91.000 TRP 57 1.040 5.943 -11.945 18.327 -99.200 -91.000 TRP6 57 1.020 8.007 -12.467 19.321 -99.200 -91.000 HIS 60 0.900 2.549 -3.060 20.440 -99.200 -91.000 PHE 63 1.000 6.071 -6.960 16.918 -99.200 -91.000 PHE 72 1.000 14.923 -8.278 14.019 -99.200 -91.000 HIS 75 0.900 19.277 -13.247 13.393 -99.200 -91.000 HIS 87 0.900 7.801 -4.274 8.149 -99.200 -91.000 PHE 90 1.000 -2.341 -7.466 9.460 -99.200 -91.000