============================================================================= 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. PHE 2 1.000 49.358-163.500 39.547 -99.200 -91.000 TYR 5 0.840 53.432-162.108 31.129 -99.200 -91.000 PHE 20 1.000 85.995-162.490 19.250 -99.200 -91.000 TYR 33 0.840 61.388-145.685 40.872 -99.200 -91.000 TYR 39 0.840 77.563-162.316 40.902 -99.200 -91.000 PHE 44 1.000 71.944-168.263 33.854 -99.200 -91.000 PHE 57 1.000 58.049-162.701 35.293 -99.200 -91.000 PHE 68 1.000 69.281-174.096 24.500 -99.200 -91.000 TRP 74 1.040 65.538-185.317 28.051 -99.200 -91.000 TRP6 74 1.020 64.984-187.599 27.980 -99.200 -91.000 TYR 75 0.840 70.759-182.564 19.271 -99.200 -91.000 HIS 76 0.900 74.609-183.503 24.090 -99.200 -91.000 PHE 77 1.000 69.673-188.611 28.309 -99.200 -91.000 HIS 79 0.900 68.468-186.677 18.147 -99.200 -91.000 HIS 95 0.900 60.198-175.381 16.405 -99.200 -91.000 TYR 98 0.840 54.653-169.497 17.198 -99.200 -91.000 PHE 102 1.000 47.919-168.461 20.749 -99.200 -91.000 PHE 103 1.000 50.845-166.968 31.126 -99.200 -91.000 TYR 105 0.840 58.910-169.371 28.123 -99.200 -91.000 TYR 106 0.840 56.937-158.399 29.203 -99.200 -91.000 HIS 108 0.900 66.009-159.064 22.767 -99.200 -91.000 TYR 123 0.840 71.842-168.207 15.146 -99.200 -91.000 PHE 125 1.000 66.523-167.271 19.704 -99.200 -91.000 TYR 131 0.840 65.666-168.630 14.559 -99.200 -91.000 PHE 149 1.000 79.991-146.829 21.759 -99.200 -91.000 PHE 156 1.000 84.824-148.925 12.347 -99.200 -91.000 TYR 160 0.840 79.906-141.797 4.558 -99.200 -91.000 TYR 173 0.840 84.425-158.158 12.699 -99.200 -91.000 PHE 187 1.000 76.585-154.169 29.638 -99.200 -91.000 HIS 194 0.900 67.579-148.035 32.026 -99.200 -91.000 PHE 215 1.000 81.800-158.916 38.554 -99.200 -91.000 TYR 216 0.840 86.243-156.456 33.141 -99.200 -91.000