============================================================================= 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 49.094-163.811 39.953 -99.200 -91.000 TYR 5 0.840 53.500-162.204 31.745 -99.200 -91.000 PHE 20 1.000 86.007-162.683 19.607 -99.200 -91.000 TYR 33 0.840 61.743-145.657 41.722 -99.200 -91.000 TYR 39 0.840 77.580-162.784 41.297 -99.200 -91.000 PHE 44 1.000 71.832-168.801 34.410 -99.200 -91.000 PHE 57 1.000 57.908-163.060 35.625 -99.200 -91.000 PHE 68 1.000 69.250-174.548 24.903 -99.200 -91.000 TRP 74 1.040 65.428-185.499 28.468 -99.200 -91.000 TRP6 74 1.020 64.826-187.774 28.642 -99.200 -91.000 TYR 75 0.840 70.743-182.865 19.577 -99.200 -91.000 HIS 76 0.900 74.495-183.939 24.624 -99.200 -91.000 PHE 77 1.000 69.794-189.001 29.057 -99.200 -91.000 HIS 79 0.900 68.339-186.972 18.340 -99.200 -91.000 HIS 95 0.900 59.881-175.534 16.643 -99.200 -91.000 TYR 98 0.840 54.322-169.590 17.533 -99.200 -91.000 PHE 102 1.000 47.837-168.348 20.876 -99.200 -91.000 PHE 103 1.000 50.757-167.438 31.336 -99.200 -91.000 TYR 105 0.840 58.677-169.872 28.795 -99.200 -91.000 TYR 106 0.840 57.109-158.806 29.470 -99.200 -91.000 HIS 108 0.900 66.089-159.561 23.301 -99.200 -91.000 TYR 123 0.840 71.656-168.414 15.679 -99.200 -91.000 PHE 125 1.000 66.461-167.618 20.123 -99.200 -91.000 TYR 131 0.840 65.519-168.871 14.932 -99.200 -91.000 PHE 149 1.000 79.929-147.637 22.439 -99.200 -91.000 PHE 156 1.000 84.767-150.091 12.365 -99.200 -91.000 TYR 160 0.840 80.263-142.182 4.992 -99.200 -91.000 TYR 173 0.840 83.955-158.358 13.633 -99.200 -91.000 PHE 187 1.000 76.739-154.559 30.123 -99.200 -91.000 HIS 194 0.900 67.538-148.345 32.559 -99.200 -91.000 PHE 215 1.000 81.849-159.394 39.260 -99.200 -91.000 TYR 216 0.840 86.202-156.879 33.683 -99.200 -91.000