============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 11 1.000 29.267 33.037 -5.765 -99.200 -91.000 PHE 17 1.000 24.673 34.253 5.573 -99.200 -91.000 TYR 41 0.840 31.932 26.410 11.915 -99.200 -91.000 PHE 49 1.000 26.012 33.149 12.318 -99.200 -91.000 TYR 57 0.840 22.670 36.484 -3.179 -99.200 -91.000 TYR 65 0.840 19.737 29.380 -7.331 -99.200 -91.000 PHE 67 1.000 21.134 26.217 0.305 -99.200 -91.000 PHE 71 1.000 19.842 20.241 7.559 -99.200 -91.000 TRP 82 1.040 14.299 24.288 10.685 -99.200 -91.000 TRP6 82 1.020 16.610 24.399 10.193 -99.200 -91.000 TRP 85 1.040 20.531 31.250 1.765 -99.200 -91.000 TRP6 85 1.020 19.357 31.359 -0.288 -99.200 -91.000 PHE 109 1.000 13.717 27.065 -5.182 -99.200 -91.000 TYR 111 0.840 9.419 29.324 -7.869 -99.200 -91.000 PHE 123 1.000 11.888 19.215 -4.201 -99.200 -91.000 PHE 130 1.000 12.142 16.303 8.849 -99.200 -91.000 TRP 134 1.040 26.425 15.547 11.662 -99.200 -91.000 TRP6 134 1.020 26.508 17.852 11.152 -99.200 -91.000 HIS 135 0.900 20.038 12.611 7.315 -99.200 -91.000 PHE 149 1.000 20.482 15.908 -7.172 -99.200 -91.000 PHE 171 1.000 18.793 43.001 6.656 -99.200 -91.000 PHE 187 1.000 21.124 25.453 11.318 -99.200 -91.000 TRP 191 1.040 29.917 22.151 1.692 -99.200 -91.000 TRP6 191 1.020 28.727 20.848 0.111 -99.200 -91.000 HIS 195 0.900 29.542 25.231 -8.434 -99.200 -91.000 HIS 207 0.900 33.475 9.033 -0.850 -99.200 -91.000