============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 1 1.000 12.942 10.168 1.251 -99.200 -91.000 PHE 19 1.000 -1.772 25.529 4.783 -99.200 -91.000 TYR 53 0.840 -2.144 16.993 3.201 -99.200 -91.000 PHE 60 1.000 -0.339 27.433 23.012 -99.200 -91.000 TYR 67 0.840 12.403 32.288 27.156 -99.200 -91.000 PHE 81 1.000 0.554 16.182 18.712 -99.200 -91.000 HIS 97 0.900 10.906 51.617 7.002 -99.200 -91.000 PHE 102 1.000 14.687 48.986 8.535 -99.200 -91.000 PHE 107 1.000 18.768 47.003 11.702 -99.200 -91.000 PHE 116 1.000 17.416 39.202 19.633 -99.200 -91.000 TYR 119 0.840 18.807 31.052 21.650 -99.200 -91.000 TYR 120 0.840 13.767 34.692 22.302 -99.200 -91.000 PHE 126 1.000 19.195 20.319 24.160 -99.200 -91.000 TYR 156 0.840 13.763 39.118 5.030 -99.200 -91.000 TRP 174 1.040 21.963 21.867 20.862 -99.200 -91.000 TRP6 174 1.020 19.971 23.068 20.424 -99.200 -91.000 TYR 177 0.840 23.260 16.735 23.607 -99.200 -91.000 TRP 188 1.040 13.570 36.999 -5.327 -99.200 -91.000 TRP6 188 1.020 12.730 38.648 -3.880 -99.200 -91.000 TYR 189 0.840 9.548 29.718 -3.042 -99.200 -91.000 PHE 198 1.000 6.791 37.391 -6.616 -99.200 -91.000 TYR 206 0.840 17.369 42.497 -11.188 -99.200 -91.000 PHE 228 1.000 17.136 14.855 2.143 -99.200 -91.000 TYR 236 0.840 27.571 11.757 7.889 -99.200 -91.000 PHE 243 1.000 21.238 29.810 -0.694 -99.200 -91.000 TRP 248 1.040 18.834 34.937 -7.059 -99.200 -91.000 TRP6 248 1.020 17.223 36.402 -7.977 -99.200 -91.000