============================================================================= 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 49.195-163.549 39.906 -99.200 -91.000 TYR 5 0.840 53.632-161.992 31.586 -99.200 -91.000 PHE 20 1.000 86.391-162.996 19.976 -99.200 -91.000 TYR 33 0.840 61.366-146.010 41.181 -99.200 -91.000 TYR 39 0.840 77.793-162.762 41.208 -99.200 -91.000 PHE 44 1.000 72.013-168.691 34.246 -99.200 -91.000 PHE 57 1.000 58.106-162.695 35.599 -99.200 -91.000 PHE 68 1.000 69.498-174.340 24.937 -99.200 -91.000 TRP 74 1.040 65.494-185.256 28.467 -99.200 -91.000 TRP6 74 1.020 64.890-187.530 28.644 -99.200 -91.000 TYR 75 0.840 70.832-182.801 19.539 -99.200 -91.000 HIS 76 0.900 74.531-183.823 24.892 -99.200 -91.000 PHE 77 1.000 69.807-188.912 29.016 -99.200 -91.000 HIS 79 0.900 68.310-186.852 18.351 -99.200 -91.000 HIS 95 0.900 60.008-175.482 16.545 -99.200 -91.000 TYR 98 0.840 54.440-169.253 17.344 -99.200 -91.000 PHE 102 1.000 48.038-168.130 20.692 -99.200 -91.000 PHE 103 1.000 50.898-167.068 31.107 -99.200 -91.000 TYR 105 0.840 58.851-169.564 28.525 -99.200 -91.000 TYR 106 0.840 57.586-158.463 29.490 -99.200 -91.000 HIS 108 0.900 66.466-159.503 23.121 -99.200 -91.000 TYR 123 0.840 72.069-168.384 15.561 -99.200 -91.000 PHE 125 1.000 66.749-167.468 20.006 -99.200 -91.000 TYR 131 0.840 65.689-168.782 14.857 -99.200 -91.000 PHE 149 1.000 80.135-147.800 22.125 -99.200 -91.000 PHE 156 1.000 84.677-150.945 12.205 -99.200 -91.000 TYR 160 0.840 80.322-142.603 4.683 -99.200 -91.000 TYR 173 0.840 84.035-158.599 13.809 -99.200 -91.000 PHE 187 1.000 76.998-154.742 30.091 -99.200 -91.000 HIS 194 0.900 67.616-148.601 32.226 -99.200 -91.000 PHE 215 1.000 81.909-159.239 39.143 -99.200 -91.000 TYR 216 0.840 86.472-156.777 33.752 -99.200 -91.000