============================================================================= 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 27 1.000 -2.618 2.920 42.142 -99.200 -91.000 PHE 29 1.000 2.827 0.253 45.172 -99.200 -91.000 TRP 33 1.040 7.127 0.829 34.860 -99.200 -91.000 TRP6 33 1.020 8.618 1.549 33.180 -99.200 -91.000 TRP 36 1.040 9.995 8.531 45.383 -99.200 -91.000 TRP6 36 1.020 8.755 9.462 47.173 -99.200 -91.000 TRP 47 1.040 11.773 11.123 36.878 -99.200 -91.000 TRP6 47 1.020 13.876 10.117 36.519 -99.200 -91.000 TYR 62 0.840 18.198 5.927 41.887 -99.200 -91.000 PHE 70 1.000 17.946 12.334 46.924 -99.200 -91.000 TYR 82 0.840 9.318 2.055 52.257 -99.200 -91.000 TYR 96 0.840 12.315 15.638 47.770 -99.200 -91.000 PHE 103 1.000 -2.404 2.008 30.239 -99.200 -91.000 TYR 113 0.840 -0.018 3.328 17.390 -99.200 -91.000 TRP 117 1.040 0.319 14.082 38.913 -99.200 -91.000 TRP6 117 1.020 2.203 15.418 38.411 -99.200 -91.000 PHE 136 1.000 15.199 45.498 62.980 -99.200 -91.000 TYR 159 0.840 8.946 34.710 60.410 -99.200 -91.000 PHE 160 1.000 13.013 27.014 60.471 -99.200 -91.000 TRP 168 1.040 -0.973 46.364 62.135 -99.200 -91.000 TRP6 168 1.020 0.860 47.827 62.436 -99.200 -91.000 HIS 178 0.900 -3.417 44.768 51.652 -99.200 -91.000 PHE 180 1.000 2.313 43.474 51.121 -99.200 -91.000 TYR 190 0.840 10.109 30.431 56.256 -99.200 -91.000 TYR 208 0.840 -2.187 54.175 63.539 -99.200 -91.000 HIS 214 0.900 8.118 32.332 65.609 -99.200 -91.000