============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 1 1.000 22.158 59.270 19.822 -99.200 -91.000 PHE 3 1.000 26.705 57.363 21.414 -99.200 -91.000 PHE 5 1.000 27.454 55.099 26.325 -99.200 -91.000 PHE 16 1.000 29.449 36.590 29.377 -99.200 -91.000 PHE 19 1.000 25.513 24.445 33.546 -99.200 -91.000 TYR 51 0.840 41.742 11.805 51.122 -99.200 -91.000 PHE 70 1.000 51.082 29.526 50.771 -99.200 -91.000 TYR 71 0.840 45.812 24.459 54.049 -99.200 -91.000 HIS 85 0.900 41.689 15.440 39.157 -99.200 -91.000 PHE 86 1.000 34.696 11.949 39.062 -99.200 -91.000 PHE 93 1.000 51.979 20.291 32.565 -99.200 -91.000 TYR 98 0.840 47.398 31.811 46.277 -99.200 -91.000 TRP 106 1.040 41.657 14.420 45.040 -99.200 -91.000 TRP6 106 1.020 41.427 12.284 46.032 -99.200 -91.000 HIS 107 0.900 45.964 15.000 36.367 -99.200 -91.000 TYR 112 0.840 56.460 11.665 49.904 -99.200 -91.000 PHE 115 1.000 50.112 16.760 54.235 -99.200 -91.000 PHE 117 1.000 53.465 24.524 47.566 -99.200 -91.000 HIS 121 0.900 63.035 18.940 51.270 -99.200 -91.000 PHE 122 1.000 65.876 19.314 46.948 -99.200 -91.000 HIS 123 0.900 61.490 14.115 47.228 -99.200 -91.000 TYR 144 0.840 44.253 32.199 33.885 -99.200 -91.000 TYR 166 0.840 41.776 24.239 38.493 -99.200 -91.000 PHE 177 1.000 41.731 36.728 33.406 -99.200 -91.000 TYR 178 0.840 42.393 41.226 31.301 -99.200 -91.000 PHE 183 1.000 50.777 35.552 23.378 -99.200 -91.000 PHE 187 1.000 49.978 30.981 18.802 -99.200 -91.000 PHE 193 1.000 43.249 30.112 29.548 -99.200 -91.000 PHE 200 1.000 29.288 40.986 44.480 -99.200 -91.000 TYR 231 0.840 31.889 15.366 35.053 -99.200 -91.000 PHE 262 1.000 27.339 14.866 44.147 -99.200 -91.000 PHE 265 1.000 22.126 13.796 42.524 -99.200 -91.000 TRP 272 1.040 27.493 9.916 51.386 -99.200 -91.000 TRP6 272 1.020 29.564 9.157 50.533 -99.200 -91.000 PHE 311 1.000 72.685 28.192 35.641 -99.200 -91.000 PHE 316 1.000 85.603 30.612 37.851 -99.200 -91.000 TYR 322 0.840 78.676 21.012 45.043 -99.200 -91.000 TYR 325 0.840 77.581 28.252 50.953 -99.200 -91.000