============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 36.604 -3.794 51.842 -99.200 -91.000 PHE 27 1.000 30.812 -2.073 42.153 -99.200 -91.000 PHE 32 1.000 24.966 -4.516 42.674 -99.200 -91.000 PHE 39 1.000 41.944 8.783 49.345 -99.200 -91.000 HIS 46 0.900 42.603 -2.315 58.171 -99.200 -91.000 HIS 50 0.900 41.237 -7.264 52.423 -99.200 -91.000 TYR 51 0.840 44.984 -8.700 50.135 -99.200 -91.000 PHE 59 1.000 50.480 -14.254 46.104 -99.200 -91.000 PHE 60 1.000 50.907 -11.751 53.460 -99.200 -91.000 TYR 66 0.840 49.155 -3.311 44.324 -99.200 -91.000 TRP 77 1.040 29.829 -0.221 46.245 -99.200 -91.000 TRP6 77 1.020 28.555 1.505 45.217 -99.200 -91.000 PHE 107 1.000 38.733 1.554 33.198 -99.200 -91.000 HIS 117 0.900 39.303 -7.732 48.042 -99.200 -91.000 TRP 132 1.040 39.249 -3.415 54.841 -99.200 -91.000 TRP6 132 1.020 40.924 -2.047 53.916 -99.200 -91.000 PHE 133 1.000 33.961 0.759 55.387 -99.200 -91.000 TYR 141 0.840 21.793 5.565 51.146 -99.200 -91.000 HIS 146 0.900 14.745 -1.357 47.248 -99.200 -91.000 TRP 148 1.040 10.482 3.048 39.630 -99.200 -91.000 TRP6 148 1.020 8.685 2.305 38.274 -99.200 -91.000 TYR 150 0.840 16.831 -4.819 44.331 -99.200 -91.000