============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 6 1.000 25.970 -28.880 52.320 -99.200 -91.000 PHE 9 1.000 20.803 -25.374 43.870 -99.200 -91.000 HIS 20 0.900 19.162 -24.184 19.910 -99.200 -91.000 PHE 22 1.000 17.750 -23.222 26.422 -99.200 -91.000 TYR 33 0.840 19.427 -20.563 58.274 -99.200 -91.000 HIS 36 0.900 29.268 -17.191 50.925 -99.200 -91.000 PHE 51 1.000 20.883 -19.440 24.453 -99.200 -91.000 TRP 53 1.040 25.803 -20.384 31.480 -99.200 -91.000 TRP6 53 1.020 24.785 -22.482 31.075 -99.200 -91.000 PHE 60 1.000 20.488 -22.827 35.074 -99.200 -91.000 TYR 64 0.840 20.822 -22.488 48.898 -99.200 -91.000 HIS 67 0.900 16.532 -12.253 53.509 -99.200 -91.000 TYR 74 0.840 6.991 -14.254 50.500 -99.200 -91.000 PHE 79 1.000 11.510 -23.868 50.451 -99.200 -91.000 PHE 83 1.000 11.018 -19.425 46.596 -99.200 -91.000 TRP 85 1.040 12.418 -18.250 41.069 -99.200 -91.000 TRP6 85 1.020 13.322 -17.500 39.006 -99.200 -91.000 PHE 91 1.000 18.315 -9.758 28.031 -99.200 -91.000 PHE 110 1.000 16.037 -25.611 49.876 -99.200 -91.000 TYR 112 0.840 16.190 -24.298 43.615 -99.200 -91.000 PHE 116 1.000 15.755 -17.992 29.731 -99.200 -91.000 PHE 121 1.000 17.657 -12.189 23.826 -99.200 -91.000 TRP 135 1.040 24.708 -11.851 34.681 -99.200 -91.000 TRP6 135 1.020 23.097 -10.495 33.613 -99.200 -91.000 TYR 143 0.840 7.927 -3.479 45.026 -99.200 -91.000 HIS 154 0.900 17.461 0.196 36.729 -99.200 -91.000 HIS 164 0.900 29.493 -1.995 32.124 -99.200 -91.000 TYR 165 0.840 22.753 -6.983 25.921 -99.200 -91.000 PHE 169 1.000 17.993 -10.018 35.780 -99.200 -91.000 TYR 173 0.840 11.948 -12.912 44.438 -99.200 -91.000 TYR 184 0.840 11.662 0.653 48.855 -99.200 -91.000 TYR 185 0.840 14.519 -7.309 51.715 -99.200 -91.000 TYR 186 0.840 17.496 -0.822 48.252 -99.200 -91.000 HIS 196 0.900 33.638 -21.147 30.088 -99.200 -91.000 TYR 200 0.840 30.487 -20.481 27.960 -99.200 -91.000 TYR 206 0.840 30.467 -17.908 45.706 -99.200 -91.000 HIS 213 0.900 16.415 -2.712 57.543 -99.200 -91.000 HIS 214 0.900 19.455 3.914 51.209 -99.200 -91.000 PHE 216 1.000 22.765 7.571 52.508 -99.200 -91.000