============================================================================= 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 49.386-163.637 39.866 -99.200 -91.000 TYR 5 0.840 53.737-162.075 31.533 -99.200 -91.000 PHE 20 1.000 86.483-162.555 19.635 -99.200 -91.000 TYR 33 0.840 61.971-145.760 41.095 -99.200 -91.000 TYR 39 0.840 78.026-162.466 41.050 -99.200 -91.000 PHE 44 1.000 72.129-168.485 34.177 -99.200 -91.000 PHE 57 1.000 58.277-162.769 35.538 -99.200 -91.000 PHE 68 1.000 69.701-174.281 24.879 -99.200 -91.000 TRP 74 1.040 65.817-185.277 28.532 -99.200 -91.000 TRP6 74 1.020 65.258-187.562 28.699 -99.200 -91.000 TYR 75 0.840 71.075-182.747 19.604 -99.200 -91.000 HIS 76 0.900 74.843-183.735 24.568 -99.200 -91.000 PHE 77 1.000 70.136-188.854 29.005 -99.200 -91.000 HIS 79 0.900 68.675-186.870 18.332 -99.200 -91.000 HIS 95 0.900 60.258-175.607 16.598 -99.200 -91.000 TYR 98 0.840 54.611-169.450 17.381 -99.200 -91.000 PHE 102 1.000 48.155-168.257 20.717 -99.200 -91.000 PHE 103 1.000 51.071-167.165 31.179 -99.200 -91.000 TYR 105 0.840 59.102-169.640 28.514 -99.200 -91.000 TYR 106 0.840 57.281-158.660 29.537 -99.200 -91.000 HIS 108 0.900 66.458-159.501 23.096 -99.200 -91.000 TYR 123 0.840 72.151-168.333 15.532 -99.200 -91.000 PHE 125 1.000 66.786-167.526 19.979 -99.200 -91.000 TYR 131 0.840 65.845-168.783 14.829 -99.200 -91.000 PHE 149 1.000 80.386-147.261 22.115 -99.200 -91.000 PHE 156 1.000 85.268-149.962 12.205 -99.200 -91.000 TYR 160 0.840 80.781-142.214 4.786 -99.200 -91.000 TYR 173 0.840 84.328-158.373 13.636 -99.200 -91.000 PHE 187 1.000 76.984-154.334 29.878 -99.200 -91.000 HIS 194 0.900 67.760-148.134 32.250 -99.200 -91.000 PHE 215 1.000 81.979-158.915 38.960 -99.200 -91.000 TYR 216 0.840 86.503-156.519 33.560 -99.200 -91.000