============================================================================= 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 50.355 22.075 14.617 -99.200 -91.000 PHE 27 1.000 39.547 19.965 17.988 -99.200 -91.000 PHE 32 1.000 35.558 22.166 13.624 -99.200 -91.000 PHE 39 1.000 53.060 9.539 20.146 -99.200 -91.000 HIS 46 0.900 59.181 20.529 13.737 -99.200 -91.000 HIS 50 0.900 54.583 25.699 17.330 -99.200 -91.000 TYR 51 0.840 56.526 27.111 21.445 -99.200 -91.000 PHE 59 1.000 58.398 32.913 27.621 -99.200 -91.000 PHE 60 1.000 63.133 29.967 21.968 -99.200 -91.000 TYR 66 0.840 55.305 21.772 28.359 -99.200 -91.000 TRP 77 1.040 41.652 18.145 14.261 -99.200 -91.000 TRP6 77 1.020 40.032 16.430 14.233 -99.200 -91.000 PHE 107 1.000 39.602 16.341 29.800 -99.200 -91.000 HIS 117 0.900 49.582 25.973 19.140 -99.200 -91.000 TRP 132 1.040 54.385 21.920 14.250 -99.200 -91.000 TRP6 132 1.020 55.092 20.526 16.044 -99.200 -91.000 PHE 133 1.000 50.841 17.493 10.309 -99.200 -91.000 TYR 141 0.840 39.031 12.232 5.302 -99.200 -91.000 HIS 146 0.900 30.355 18.679 2.773 -99.200 -91.000 TRP 148 1.040 22.944 14.126 6.272 -99.200 -91.000 TRP6 148 1.020 20.707 14.883 6.124 -99.200 -91.000 TYR 150 0.840 30.643 22.221 6.959 -99.200 -91.000