============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 1 0.840 -5.574 30.782 55.517 -99.200 -91.000 PHE 2 1.000 -5.928 34.993 48.448 -99.200 -91.000 TYR 37 0.840 29.892 21.038 16.314 -99.200 -91.000 PHE 54 1.000 21.316 24.181 27.125 -99.200 -91.000 TYR 65 0.840 22.171 23.500 5.646 -99.200 -91.000 PHE 70 1.000 15.356 14.510 20.988 -99.200 -91.000 TYR 76 0.840 21.986 -2.139 33.059 -99.200 -91.000 HIS 78 0.900 26.354 0.822 44.694 -99.200 -91.000 TYR 116 0.840 27.756 3.064 29.365 -99.200 -91.000 PHE 121 1.000 26.716 8.777 22.116 -99.200 -91.000 TYR 123 0.840 32.382 -0.440 20.558 -99.200 -91.000 TYR 149 0.840 30.827 24.086 22.572 -99.200 -91.000 PHE 152 1.000 23.797 30.723 33.018 -99.200 -91.000 HIS 156 0.900 25.062 19.846 46.889 -99.200 -91.000 PHE 158 1.000 16.232 19.014 45.735 -99.200 -91.000 TYR 162 0.840 15.740 26.281 29.879 -99.200 -91.000 TYR 166 0.840 11.182 16.788 45.255 -99.200 -91.000 TYR 170 0.840 8.234 21.950 41.511 -99.200 -91.000 TYR 175 0.840 11.474 30.392 37.705 -99.200 -91.000 TYR 184 0.840 14.943 20.090 49.378 -99.200 -91.000