============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 8 1.000 10.408 -19.870 18.695 -99.200 -91.000 PHE 23 1.000 19.927 -9.992 26.414 -99.200 -91.000 PHE 29 1.000 15.347 -9.814 27.288 -99.200 -91.000 TYR 30 0.840 17.174 -3.353 31.181 -99.200 -91.000 TYR 67 0.840 -1.446 14.577 28.054 -99.200 -91.000 PHE 84 1.000 19.702 7.400 23.674 -99.200 -91.000 PHE 101 1.000 10.248 9.619 31.811 -99.200 -91.000 PHE 122 1.000 21.807 4.638 19.989 -99.200 -91.000 TYR 124 0.840 28.419 -1.485 14.325 -99.200 -91.000 TRP 129 1.040 20.129 5.769 11.406 -99.200 -91.000 TRP6 129 1.020 19.991 7.390 9.691 -99.200 -91.000 TYR 142 0.840 -1.810 6.287 19.926 -99.200 -91.000 PHE 150 1.000 -1.047 9.591 10.850 -99.200 -91.000 TYR 154 0.840 10.916 12.241 13.794 -99.200 -91.000 PHE 156 1.000 18.897 12.629 20.007 -99.200 -91.000 PHE 169 1.000 8.450 5.004 5.017 -99.200 -91.000 PHE 171 1.000 2.186 1.086 13.338 -99.200 -91.000 HIS 179 0.900 26.444 -0.691 11.293 -99.200 -91.000 TYR 186 0.840 26.601 -1.241 3.179 -99.200 -91.000 TRP 199 1.040 9.064 1.003 2.056 -99.200 -91.000 TRP6 199 1.020 8.952 1.957 -0.105 -99.200 -91.000 TYR 201 0.840 14.853 5.477 3.321 -99.200 -91.000 TRP 215 1.040 17.009 -4.660 0.957 -99.200 -91.000 TRP6 215 1.020 16.721 -6.300 2.635 -99.200 -91.000 HIS 217 0.900 8.316 -7.104 -2.617 -99.200 -91.000 HIS 222 0.900 0.340 -12.003 7.782 -99.200 -91.000 PHE 231 1.000 20.795 -6.050 8.701 -99.200 -91.000 PHE 242 1.000 1.206 -8.515 15.639 -99.200 -91.000 HIS 246 0.900 5.898 -19.254 9.370 -99.200 -91.000 PHE 250 1.000 13.050 -10.376 3.912 -99.200 -91.000 PHE 265 1.000 5.812 -16.975 19.420 -99.200 -91.000 HIS 272 0.900 18.481 -6.618 21.314 -99.200 -91.000 PHE 273 1.000 20.624 -12.672 16.671 -99.200 -91.000 PHE 281 1.000 16.721 -13.955 25.674 -99.200 -91.000 HIS 285 0.900 2.603 -7.404 20.665 -99.200 -91.000 TRP 291 1.040 7.357 -17.581 23.526 -99.200 -91.000 TRP6 291 1.020 6.768 -19.800 24.092 -99.200 -91.000 PHE 293 1.000 14.547 -18.264 17.192 -99.200 -91.000 TRP 295 1.040 20.079 -16.917 13.067 -99.200 -91.000 TRP6 295 1.020 18.666 -17.942 11.472 -99.200 -91.000 TYR 303 0.840 26.485 3.460 19.614 -99.200 -91.000 PHE 309 1.000 37.816 6.387 24.601 -99.200 -91.000 PHE 312 1.000 43.852 -4.317 15.653 -99.200 -91.000