============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -9.687 -64.862 7.830 -99.200 -91.000 PHE 24 1.000 -12.364 -57.036 -0.612 -99.200 -91.000 TYR 33 0.840 -18.923 -47.318 19.178 -99.200 -91.000 TYR 36 0.840 -26.006 -53.875 19.795 -99.200 -91.000 PHE 42 1.000 -8.861 -55.634 13.743 -99.200 -91.000 PHE 55 1.000 -14.827 -61.602 3.728 -99.200 -91.000 HIS 59 0.900 -18.294 -69.586 11.449 -99.200 -91.000 HIS 63 0.900 -15.144 -72.006 11.506 -99.200 -91.000 HIS 68 0.900 -21.914 -71.958 20.684 -99.200 -91.000 TYR 72 0.840 -25.229 -64.599 14.549 -99.200 -91.000 TRP 77 1.040 -23.928 -50.073 15.271 -99.200 -91.000 TRP6 77 1.020 -25.978 -49.356 16.259 -99.200 -91.000 TRP 86 1.040 -27.195 -53.439 -3.139 -99.200 -91.000 TRP6 86 1.020 -29.092 -54.376 -4.211 -99.200 -91.000 TYR 100 0.840 -32.589 -78.321 -3.193 -99.200 -91.000 PHE 105 1.000 -22.299 -72.295 -5.464 -99.200 -91.000 PHE 111 1.000 -35.835 -66.996 8.845 -99.200 -91.000 TYR 120 0.840 -33.437 -65.196 18.720 -99.200 -91.000 PHE 122 1.000 -29.065 -54.377 14.986 -99.200 -91.000 PHE 123 1.000 -35.431 -51.242 15.950 -99.200 -91.000 HIS 130 0.900 -43.410 -56.458 17.581 -99.200 -91.000 PHE 137 1.000 -33.298 -65.822 2.901 -99.200 -91.000 HIS 157 0.900 -30.919 -77.635 -6.494 -99.200 -91.000 TYR 162 0.840 -29.811 -71.731 6.733 -99.200 -91.000 PHE 170 1.000 -22.198 -80.902 12.037 -99.200 -91.000 TRP 179 1.040 -33.726 -80.704 11.776 -99.200 -91.000 TRP6 179 1.020 -34.943 -79.926 13.677 -99.200 -91.000 TYR 183 0.840 -40.161 -78.064 12.356 -99.200 -91.000 TYR 206 0.840 -28.702 -61.868 5.214 -99.200 -91.000 TYR 215 0.840 -25.828 -85.655 -0.365 -99.200 -91.000 PHE 218 1.000 -31.807 -87.178 6.109 -99.200 -91.000 TYR 244 0.840 -14.612 -59.853 -10.132 -99.200 -91.000