============================================================================= 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 49.338-163.381 40.001 -99.200 -91.000 TYR 5 0.840 53.529-161.733 31.595 -99.200 -91.000 PHE 20 1.000 86.138-162.744 19.583 -99.200 -91.000 TYR 33 0.840 61.290-145.810 41.494 -99.200 -91.000 TYR 39 0.840 77.623-162.741 41.263 -99.200 -91.000 PHE 44 1.000 72.097-168.744 34.439 -99.200 -91.000 PHE 57 1.000 58.131-162.563 35.522 -99.200 -91.000 PHE 68 1.000 69.151-174.229 24.842 -99.200 -91.000 TRP 74 1.040 65.334-185.531 28.377 -99.200 -91.000 TRP6 74 1.020 64.687-187.776 28.211 -99.200 -91.000 TYR 75 0.840 70.803-182.754 19.580 -99.200 -91.000 HIS 76 0.900 74.523-183.890 24.935 -99.200 -91.000 PHE 77 1.000 69.829-188.777 28.868 -99.200 -91.000 HIS 79 0.900 68.372-186.875 18.568 -99.200 -91.000 HIS 95 0.900 60.076-175.415 16.732 -99.200 -91.000 TYR 98 0.840 54.577-169.065 17.349 -99.200 -91.000 PHE 102 1.000 47.909-168.032 20.825 -99.200 -91.000 PHE 103 1.000 50.889-166.941 30.988 -99.200 -91.000 TYR 105 0.840 58.779-169.290 28.407 -99.200 -91.000 TYR 106 0.840 56.991-158.115 29.437 -99.200 -91.000 HIS 108 0.900 66.252-159.122 22.979 -99.200 -91.000 TYR 123 0.840 71.661-168.344 15.261 -99.200 -91.000 PHE 125 1.000 66.321-167.042 19.995 -99.200 -91.000 TYR 131 0.840 65.316-168.872 14.295 -99.200 -91.000 PHE 149 1.000 79.833-147.848 21.974 -99.200 -91.000 PHE 156 1.000 84.313-150.669 12.029 -99.200 -91.000 TYR 160 0.840 79.876-142.823 4.279 -99.200 -91.000 TYR 173 0.840 83.840-158.930 13.127 -99.200 -91.000 PHE 187 1.000 76.734-154.289 30.412 -99.200 -91.000 HIS 194 0.900 67.342-148.255 32.216 -99.200 -91.000 PHE 215 1.000 81.932-159.253 39.225 -99.200 -91.000 TYR 216 0.840 86.474-156.588 33.649 -99.200 -91.000