============================================================================= 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 49.149-163.701 39.980 -99.200 -91.000 TYR 5 0.840 53.188-162.069 31.642 -99.200 -91.000 PHE 20 1.000 85.916-162.863 20.099 -99.200 -91.000 TYR 33 0.840 60.987-146.428 41.533 -99.200 -91.000 TYR 39 0.840 77.525-162.802 41.382 -99.200 -91.000 PHE 44 1.000 71.850-168.733 34.419 -99.200 -91.000 PHE 57 1.000 57.813-162.836 35.872 -99.200 -91.000 PHE 68 1.000 69.000-174.349 24.794 -99.200 -91.000 TRP 74 1.040 65.075-185.545 28.224 -99.200 -91.000 TRP6 74 1.020 64.359-187.790 28.079 -99.200 -91.000 TYR 75 0.840 70.471-182.729 19.401 -99.200 -91.000 HIS 76 0.900 74.249-183.824 24.597 -99.200 -91.000 PHE 77 1.000 69.715-188.920 28.827 -99.200 -91.000 HIS 79 0.900 67.708-186.822 18.248 -99.200 -91.000 HIS 95 0.900 59.945-175.313 16.622 -99.200 -91.000 TYR 98 0.840 54.351-169.251 17.493 -99.200 -91.000 PHE 102 1.000 47.823-168.284 20.778 -99.200 -91.000 PHE 103 1.000 50.565-167.063 31.258 -99.200 -91.000 TYR 105 0.840 58.617-169.652 28.729 -99.200 -91.000 TYR 106 0.840 56.492-158.752 29.025 -99.200 -91.000 HIS 108 0.900 65.975-159.398 23.253 -99.200 -91.000 TYR 123 0.840 71.732-168.345 15.606 -99.200 -91.000 PHE 125 1.000 66.217-167.447 20.048 -99.200 -91.000 TYR 131 0.840 65.454-168.666 14.659 -99.200 -91.000 PHE 149 1.000 79.749-148.016 22.409 -99.200 -91.000 PHE 156 1.000 84.252-150.809 12.718 -99.200 -91.000 TYR 160 0.840 79.566-142.892 4.808 -99.200 -91.000 TYR 173 0.840 83.511-159.897 13.411 -99.200 -91.000 PHE 187 1.000 76.657-154.837 30.308 -99.200 -91.000 HIS 194 0.900 67.262-148.599 32.482 -99.200 -91.000 PHE 215 1.000 81.589-159.503 39.220 -99.200 -91.000 TYR 216 0.840 86.169-156.964 33.801 -99.200 -91.000