============================================================================= 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. TYR 14 0.840 16.390 21.921 72.407 -99.200 -91.000 PHE 17 1.000 13.539 19.128 87.226 -99.200 -91.000 TYR 25 0.840 10.649 9.754 94.447 -99.200 -91.000 PHE 30 1.000 15.808 15.058 84.751 -99.200 -91.000 TYR 33 0.840 15.009 16.448 69.435 -99.200 -91.000 PHE 47 1.000 23.418 4.546 76.241 -99.200 -91.000 TYR 49 0.840 19.348 6.761 80.085 -99.200 -91.000 TYR 59 0.840 23.285 25.289 77.031 -99.200 -91.000 TRP 69 1.040 37.460 24.254 78.265 -99.200 -91.000 TRP6 69 1.020 36.080 24.926 76.472 -99.200 -91.000 HIS 79 0.900 37.563 10.780 80.955 -99.200 -91.000 TYR 92 0.840 39.072 25.339 65.716 -99.200 -91.000 PHE 100 1.000 30.420 18.792 70.530 -99.200 -91.000 PHE 104 1.000 20.917 16.367 69.113 -99.200 -91.000 TYR 113 0.840 13.324 44.406 68.732 -99.200 -91.000 TYR 133 0.840 23.431 44.696 70.090 -99.200 -91.000 PHE 144 1.000 29.152 34.134 64.711 -99.200 -91.000 PHE 145 1.000 26.983 37.908 67.649 -99.200 -91.000 TYR 153 0.840 27.797 38.899 62.262 -99.200 -91.000 TRP 157 1.040 33.061 40.434 72.221 -99.200 -91.000 TRP6 157 1.020 31.647 39.268 73.716 -99.200 -91.000 PHE 159 1.000 25.219 47.190 73.409 -99.200 -91.000 TYR 184 0.840 18.260 41.722 75.630 -99.200 -91.000 PHE 186 1.000 18.508 35.596 74.354 -99.200 -91.000 PHE 195 1.000 8.776 25.219 72.650 -99.200 -91.000 TYR 215 0.840 21.167 22.595 69.299 -99.200 -91.000 TYR 225 0.840 29.341 4.235 75.262 -99.200 -91.000 HIS 243 0.900 9.834 15.799 60.017 -99.200 -91.000 TRP 249 1.040 9.543 16.137 72.695 -99.200 -91.000 TRP6 249 1.020 8.544 16.459 74.822 -99.200 -91.000 TRP 250 1.040 10.838 23.040 68.019 -99.200 -91.000 TRP6 250 1.020 12.252 21.464 69.057 -99.200 -91.000