============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 19.308 -45.649 43.342 -99.200 -91.000 HIS 7 0.900 24.730 -50.771 34.891 -99.200 -91.000 PHE 9 1.000 28.559 -49.915 33.081 -99.200 -91.000 PHE 14 1.000 23.724 -42.634 40.285 -99.200 -91.000 PHE 23 1.000 13.941 -51.920 50.260 -99.200 -91.000 PHE 35 1.000 2.010 -62.035 59.432 -99.200 -91.000 PHE 49 1.000 -2.798 -72.376 66.649 -99.200 -91.000 PHE 64 1.000 9.310 -72.303 53.751 -99.200 -91.000 HIS 73 0.900 2.888 -71.786 38.832 -99.200 -91.000 HIS 102 0.900 -1.792 -66.567 55.414 -99.200 -91.000 PHE 103 1.000 -7.892 -69.654 62.372 -99.200 -91.000 HIS 132 0.900 30.373 -40.760 59.899 -99.200 -91.000 HIS 146 0.900 35.329 -18.829 63.878 -99.200 -91.000 TYR 152 0.840 28.615 -15.817 44.304 -99.200 -91.000 TRP 170 1.040 25.609 -26.727 52.726 -99.200 -91.000 TRP6 170 1.020 27.948 -26.385 52.769 -99.200 -91.000 HIS 177 0.900 15.523 -33.015 56.689 -99.200 -91.000 PHE 184 1.000 7.239 -43.072 59.915 -99.200 -91.000 PHE 189 1.000 9.725 -47.783 60.452 -99.200 -91.000 PHE 193 1.000 -3.437 -60.841 62.644 -99.200 -91.000 TRP 226 1.040 -1.094 -50.538 58.834 -99.200 -91.000 TRP6 226 1.020 0.540 -50.776 57.148 -99.200 -91.000 HIS 227 0.900 -5.736 -55.416 55.294 -99.200 -91.000 PHE 236 1.000 10.380 -44.667 55.829 -99.200 -91.000 PHE 250 1.000 27.302 -31.047 51.174 -99.200 -91.000 PHE 283 1.000 14.709 -42.073 41.680 -99.200 -91.000 HIS 292 0.900 1.850 -37.310 49.265 -99.200 -91.000 TRP 306 1.040 -0.252 -53.498 48.706 -99.200 -91.000 TRP6 306 1.020 -0.966 -55.749 48.565 -99.200 -91.000 TRP 310 1.040 3.547 -54.096 46.312 -99.200 -91.000 TRP6 310 1.020 2.710 -56.061 45.300 -99.200 -91.000