============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 7 1.000 23.485 29.114 17.950 -99.200 -91.000 PHE 12 1.000 18.530 24.277 20.188 -99.200 -91.000 TYR 39 0.840 31.794 27.483 19.124 -99.200 -91.000 TYR 52 0.840 27.809 27.612 30.689 -99.200 -91.000 PHE 61 1.000 28.905 25.702 9.087 -99.200 -91.000 TRP 67 1.040 24.202 18.393 9.416 -99.200 -91.000 TRP6 67 1.020 24.565 17.124 11.359 -99.200 -91.000 PHE 83 1.000 24.715 26.815 28.309 -99.200 -91.000 HIS 84 0.900 21.301 33.687 27.274 -99.200 -91.000 PHE 92 1.000 37.617 32.070 5.409 -99.200 -91.000 HIS 95 0.900 26.218 37.118 3.765 -99.200 -91.000 HIS 100 0.900 21.988 37.259 15.727 -99.200 -91.000