============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 11 1.000 33.606 -26.770 50.482 -99.200 -91.000 PHE 24 1.000 23.797 -33.193 60.228 -99.200 -91.000 PHE 40 1.000 34.133 -21.061 60.395 -99.200 -91.000 PHE 48 1.000 42.960 -23.160 71.285 -99.200 -91.000 PHE 60 1.000 31.780 -32.859 56.070 -99.200 -91.000 PHE 64 1.000 43.075 -24.028 49.460 -99.200 -91.000 HIS 67 0.900 48.024 -25.141 53.805 -99.200 -91.000 TYR 68 0.840 44.552 -33.026 52.123 -99.200 -91.000 HIS 94 0.900 42.430 -34.860 37.677 -99.200 -91.000 HIS 97 0.900 50.155 -33.495 43.511 -99.200 -91.000 TYR 104 0.840 49.158 -36.154 50.453 -99.200 -91.000 PHE 109 1.000 45.783 -37.712 58.949 -99.200 -91.000 PHE 118 1.000 28.962 -32.839 50.938 -99.200 -91.000 TRP 124 1.040 25.438 -18.194 46.776 -99.200 -91.000 TRP6 124 1.020 25.242 -17.022 48.807 -99.200 -91.000 PHE 159 1.000 24.251 -30.088 48.988 -99.200 -91.000 TRP 171 1.040 43.465 -38.698 39.089 -99.200 -91.000 TRP6 171 1.020 43.066 -38.796 36.763 -99.200 -91.000