============================================================================= 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 49.047-163.827 39.987 -99.200 -91.000 TYR 5 0.840 53.428-162.276 31.709 -99.200 -91.000 PHE 20 1.000 85.929-162.727 19.743 -99.200 -91.000 TYR 33 0.840 61.403-146.125 41.346 -99.200 -91.000 TYR 39 0.840 77.564-162.831 41.275 -99.200 -91.000 PHE 44 1.000 71.747-168.787 34.404 -99.200 -91.000 PHE 57 1.000 57.845-163.071 35.709 -99.200 -91.000 PHE 68 1.000 69.251-174.644 25.002 -99.200 -91.000 TRP 74 1.040 65.398-185.502 28.595 -99.200 -91.000 TRP6 74 1.020 64.833-187.782 28.756 -99.200 -91.000 TYR 75 0.840 70.651-182.924 19.654 -99.200 -91.000 HIS 76 0.900 74.424-183.875 24.988 -99.200 -91.000 PHE 77 1.000 69.783-189.037 29.173 -99.200 -91.000 HIS 79 0.900 68.287-186.950 18.477 -99.200 -91.000 HIS 95 0.900 59.756-175.655 16.730 -99.200 -91.000 TYR 98 0.840 54.300-169.642 17.585 -99.200 -91.000 PHE 102 1.000 47.850-168.370 20.868 -99.200 -91.000 PHE 103 1.000 50.717-167.520 31.345 -99.200 -91.000 TYR 105 0.840 58.603-169.959 28.840 -99.200 -91.000 TYR 106 0.840 57.091-158.856 29.557 -99.200 -91.000 HIS 108 0.900 65.995-159.315 23.350 -99.200 -91.000 TYR 123 0.840 71.579-168.469 15.777 -99.200 -91.000 PHE 125 1.000 66.371-167.611 20.170 -99.200 -91.000 TYR 131 0.840 65.474-168.900 15.025 -99.200 -91.000 PHE 149 1.000 79.856-147.635 22.449 -99.200 -91.000 PHE 156 1.000 84.745-150.265 12.400 -99.200 -91.000 TYR 160 0.840 80.353-142.350 5.060 -99.200 -91.000 TYR 173 0.840 83.859-158.527 13.659 -99.200 -91.000 PHE 187 1.000 76.506-154.603 30.099 -99.200 -91.000 HIS 194 0.900 67.428-148.391 32.527 -99.200 -91.000 PHE 215 1.000 81.629-159.321 39.199 -99.200 -91.000 TYR 216 0.840 86.093-156.879 33.810 -99.200 -91.000