============================================================================= 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 48.779-163.613 39.702 -99.200 -91.000 TYR 5 0.840 53.253-162.254 31.381 -99.200 -91.000 PHE 20 1.000 86.088-162.507 19.677 -99.200 -91.000 TYR 33 0.840 61.235-145.501 41.323 -99.200 -91.000 TYR 39 0.840 77.372-162.292 40.813 -99.200 -91.000 PHE 44 1.000 71.951-168.543 33.994 -99.200 -91.000 PHE 57 1.000 57.801-162.722 35.452 -99.200 -91.000 PHE 68 1.000 69.254-174.115 24.463 -99.200 -91.000 TRP 74 1.040 65.523-185.326 27.830 -99.200 -91.000 TRP6 74 1.020 65.178-187.648 28.025 -99.200 -91.000 TYR 75 0.840 71.041-182.599 19.235 -99.200 -91.000 HIS 76 0.900 74.531-183.284 24.769 -99.200 -91.000 PHE 77 1.000 70.108-188.569 28.704 -99.200 -91.000 HIS 79 0.900 69.124-186.687 17.601 -99.200 -91.000 HIS 95 0.900 59.679-175.269 16.318 -99.200 -91.000 TYR 98 0.840 54.386-168.997 17.049 -99.200 -91.000 PHE 102 1.000 47.840-168.128 20.274 -99.200 -91.000 PHE 103 1.000 50.692-167.313 30.784 -99.200 -91.000 TYR 105 0.840 58.651-169.437 28.243 -99.200 -91.000 TYR 106 0.840 55.235-159.727 29.167 -99.200 -91.000 HIS 108 0.900 62.590-158.166 24.156 -99.200 -91.000 TYR 123 0.840 71.757-168.042 15.332 -99.200 -91.000 PHE 125 1.000 66.483-167.095 19.886 -99.200 -91.000 TYR 131 0.840 65.618-168.595 14.458 -99.200 -91.000 PHE 149 1.000 79.616-147.111 22.016 -99.200 -91.000 PHE 156 1.000 84.147-150.332 11.683 -99.200 -91.000 TYR 160 0.840 79.838-142.134 4.191 -99.200 -91.000 TYR 173 0.840 83.700-158.443 12.972 -99.200 -91.000 PHE 187 1.000 76.422-154.247 29.765 -99.200 -91.000 HIS 194 0.900 67.219-148.171 32.202 -99.200 -91.000 PHE 215 1.000 81.535-158.990 38.776 -99.200 -91.000 TYR 216 0.840 85.976-156.309 33.324 -99.200 -91.000