============================================================================= 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 23.497 29.173 17.967 -99.200 -91.000 PHE 12 1.000 18.493 24.293 20.193 -99.200 -91.000 TYR 39 0.840 31.801 27.452 19.111 -99.200 -91.000 TYR 52 0.840 27.805 27.621 30.671 -99.200 -91.000 PHE 61 1.000 28.883 25.678 9.095 -99.200 -91.000 TRP 67 1.040 24.156 18.374 9.468 -99.200 -91.000 TRP6 67 1.020 24.497 17.128 11.422 -99.200 -91.000 PHE 83 1.000 24.679 26.859 28.300 -99.200 -91.000 HIS 84 0.900 21.294 33.692 27.293 -99.200 -91.000 PHE 92 1.000 37.541 31.992 5.447 -99.200 -91.000 HIS 95 0.900 26.231 37.129 3.779 -99.200 -91.000 HIS 100 0.900 22.134 37.243 15.674 -99.200 -91.000