============================================================================= 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 48.615-163.639 39.779 -99.200 -91.000 TYR 5 0.840 53.162-162.220 31.398 -99.200 -91.000 PHE 20 1.000 85.830-162.536 19.774 -99.200 -91.000 TYR 33 0.840 61.051-145.809 41.231 -99.200 -91.000 TYR 39 0.840 77.233-162.389 40.967 -99.200 -91.000 PHE 44 1.000 71.627-168.525 34.062 -99.200 -91.000 PHE 57 1.000 57.669-162.871 35.533 -99.200 -91.000 PHE 68 1.000 69.061-174.150 24.455 -99.200 -91.000 TRP 74 1.040 65.391-185.397 27.929 -99.200 -91.000 TRP6 74 1.020 64.957-187.722 27.921 -99.200 -91.000 TYR 75 0.840 70.812-182.483 19.256 -99.200 -91.000 HIS 76 0.900 74.446-183.280 24.754 -99.200 -91.000 PHE 77 1.000 69.965-188.455 28.569 -99.200 -91.000 HIS 79 0.900 68.797-186.761 17.543 -99.200 -91.000 HIS 95 0.900 59.745-175.079 16.296 -99.200 -91.000 TYR 98 0.840 54.313-169.043 17.198 -99.200 -91.000 PHE 102 1.000 47.827-168.087 20.336 -99.200 -91.000 PHE 103 1.000 50.482-167.424 30.971 -99.200 -91.000 TYR 105 0.840 58.390-169.625 28.421 -99.200 -91.000 TYR 106 0.840 56.799-158.637 29.805 -99.200 -91.000 HIS 108 0.900 65.449-159.308 23.129 -99.200 -91.000 TYR 123 0.840 71.545-167.972 15.495 -99.200 -91.000 PHE 125 1.000 66.238-167.067 19.953 -99.200 -91.000 TYR 131 0.840 65.392-168.436 14.612 -99.200 -91.000 PHE 149 1.000 79.312-147.366 22.384 -99.200 -91.000 PHE 156 1.000 84.092-150.389 12.003 -99.200 -91.000 TYR 160 0.840 79.818-142.149 4.672 -99.200 -91.000 TYR 173 0.840 83.606-158.389 13.259 -99.200 -91.000 PHE 187 1.000 76.296-154.256 29.883 -99.200 -91.000 HIS 194 0.900 67.150-148.199 32.400 -99.200 -91.000 PHE 215 1.000 81.234-159.055 38.897 -99.200 -91.000 TYR 216 0.840 85.728-156.440 33.405 -99.200 -91.000