============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 16 0.840 41.012 -22.425 42.039 -99.200 -91.000 PHE 20 1.000 34.432 -18.095 44.150 -99.200 -91.000 TYR 29 0.840 43.036 -1.983 53.625 -99.200 -91.000 PHE 49 1.000 43.686 -11.268 39.069 -99.200 -91.000 HIS 61 0.900 37.981 2.810 55.229 -99.200 -91.000 TRP 70 1.040 45.373 12.036 62.116 -99.200 -91.000 TRP6 70 1.020 46.200 14.210 61.679 -99.200 -91.000 PHE 80 1.000 39.845 1.467 71.710 -99.200 -91.000 HIS 81 0.900 32.288 -0.680 78.629 -99.200 -91.000 PHE 121 1.000 29.532 5.809 47.314 -99.200 -91.000 HIS 134 0.900 26.776 -1.648 70.416 -99.200 -91.000 PHE 141 1.000 27.336 11.496 70.103 -99.200 -91.000 TYR 161 0.840 32.673 4.037 38.130 -99.200 -91.000 PHE 177 1.000 24.826 7.714 66.737 -99.200 -91.000 HIS 257 0.900 35.956 -17.499 52.589 -99.200 -91.000 HIS 265 0.900 49.909 -10.297 46.110 -99.200 -91.000 PHE 272 1.000 41.238 -15.692 41.779 -99.200 -91.000 TYR 286 0.840 25.799 -33.527 59.474 -99.200 -91.000 HIS 287 0.900 28.535 -29.709 66.216 -99.200 -91.000