============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 77.997 8.801 2.951 -99.200 -91.000 PHE 29 1.000 80.544 15.830 8.703 -99.200 -91.000 TYR 32 0.840 70.474 22.262 3.424 -99.200 -91.000 TRP 36 1.040 80.042 24.577 15.883 -99.200 -91.000 TRP6 36 1.020 80.088 22.901 17.558 -99.200 -91.000 TRP 47 1.040 74.748 31.078 13.411 -99.200 -91.000 TRP6 47 1.020 75.942 32.368 11.820 -99.200 -91.000 TRP 50 1.040 77.769 27.360 7.500 -99.200 -91.000 TRP6 50 1.020 77.938 29.386 6.287 -99.200 -91.000 TYR 54 0.840 78.125 21.056 -0.524 -99.200 -91.000 TYR 60 0.840 85.350 31.307 12.768 -99.200 -91.000 PHE 64 1.000 80.131 34.160 19.413 -99.200 -91.000 PHE 68 1.000 84.689 32.279 20.503 -99.200 -91.000 PHE 70 1.000 82.505 27.876 14.177 -99.200 -91.000 TYR 80 0.840 86.799 17.312 16.334 -99.200 -91.000 TYR 93 0.840 80.063 27.546 24.099 -99.200 -91.000 PHE 94 1.000 71.822 23.930 23.255 -99.200 -91.000 TYR 98 0.840 69.871 23.567 7.647 -99.200 -91.000 TYR 105 0.840 68.020 15.833 11.361 -99.200 -91.000 TRP 106 1.040 68.485 22.398 17.011 -99.200 -91.000 TRP6 106 1.020 69.511 24.420 17.686 -99.200 -91.000 PHE 125 1.000 75.141 16.075 53.862 -99.200 -91.000 TYR 148 0.840 76.676 20.347 42.614 -99.200 -91.000 PHE 149 1.000 83.077 25.240 40.226 -99.200 -91.000 TRP 157 1.040 63.986 11.344 43.116 -99.200 -91.000 TRP6 157 1.020 64.281 11.131 45.455 -99.200 -91.000 HIS 167 0.900 57.980 19.666 41.423 -99.200 -91.000 PHE 169 1.000 62.643 22.631 44.386 -99.200 -91.000 TYR 179 0.840 77.186 25.886 40.891 -99.200 -91.000 TYR 197 0.840 59.091 6.248 47.938 -99.200 -91.000 HIS 203 0.900 80.045 16.846 40.113 -99.200 -91.000