============================================================================= 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 48.855-163.842 39.915 -99.200 -91.000 TYR 5 0.840 53.183-162.215 31.671 -99.200 -91.000 PHE 20 1.000 85.605-162.719 19.478 -99.200 -91.000 TYR 33 0.840 61.177-146.010 41.326 -99.200 -91.000 TYR 39 0.840 77.356-162.784 41.087 -99.200 -91.000 PHE 44 1.000 71.495-168.762 34.239 -99.200 -91.000 PHE 57 1.000 57.598-163.035 35.591 -99.200 -91.000 PHE 68 1.000 68.906-174.553 24.756 -99.200 -91.000 TRP 74 1.040 65.053-185.535 28.390 -99.200 -91.000 TRP6 74 1.020 64.480-187.821 28.489 -99.200 -91.000 TYR 75 0.840 70.314-182.865 19.472 -99.200 -91.000 HIS 76 0.900 74.108-183.936 24.561 -99.200 -91.000 PHE 77 1.000 69.477-188.994 28.921 -99.200 -91.000 HIS 79 0.900 67.952-186.935 18.254 -99.200 -91.000 HIS 95 0.900 59.428-175.586 16.589 -99.200 -91.000 TYR 98 0.840 53.958-169.583 17.448 -99.200 -91.000 PHE 102 1.000 47.459-168.333 20.799 -99.200 -91.000 PHE 103 1.000 50.408-167.517 31.269 -99.200 -91.000 TYR 105 0.840 58.350-169.891 28.672 -99.200 -91.000 TYR 106 0.840 56.714-158.836 29.415 -99.200 -91.000 HIS 108 0.900 65.788-159.571 23.225 -99.200 -91.000 TYR 123 0.840 71.280-168.430 15.515 -99.200 -91.000 PHE 125 1.000 66.044-167.568 19.989 -99.200 -91.000 TYR 131 0.840 65.184-168.889 14.853 -99.200 -91.000 PHE 149 1.000 79.601-147.591 22.214 -99.200 -91.000 PHE 156 1.000 84.465-150.071 12.119 -99.200 -91.000 TYR 160 0.840 79.995-142.251 4.775 -99.200 -91.000 TYR 173 0.840 83.545-158.488 13.376 -99.200 -91.000 PHE 187 1.000 76.210-154.587 29.939 -99.200 -91.000 HIS 194 0.900 67.161-148.377 32.329 -99.200 -91.000 PHE 215 1.000 81.499-159.307 39.018 -99.200 -91.000 TYR 216 0.840 85.916-156.864 33.492 -99.200 -91.000