============================================================================= 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 33 1.000 41.188 18.735 19.533 -99.200 -91.000 HIS 41 0.900 50.919 18.934 15.223 -99.200 -91.000 HIS 49 0.900 55.230 26.672 4.481 -99.200 -91.000 TYR 55 0.840 50.532 41.299 -0.404 -99.200 -91.000 TYR 66 0.840 38.992 17.038 23.310 -99.200 -91.000 PHE 81 1.000 32.188 9.063 12.747 -99.200 -91.000 TRP 92 1.040 24.755 12.590 2.983 -99.200 -91.000 TRP6 92 1.020 23.761 14.766 3.084 -99.200 -91.000 HIS 111 0.900 37.840 17.981 26.927 -99.200 -91.000 PHE 120 1.000 29.491 33.980 18.307 -99.200 -91.000 HIS 136 0.900 22.272 26.945 25.371 -99.200 -91.000 HIS 138 0.900 25.617 17.660 27.870 -99.200 -91.000 TYR 160 0.840 26.033 31.344 -8.549 -99.200 -91.000 TYR 161 0.840 21.383 26.688 -7.477 -99.200 -91.000 HIS 176 0.900 15.093 36.748 5.167 -99.200 -91.000 HIS 181 0.900 21.854 22.828 6.503 -99.200 -91.000 TYR 191 0.840 9.195 37.444 4.745 -99.200 -91.000 PHE 201 1.000 13.475 41.948 -11.061 -99.200 -91.000 PHE 216 1.000 11.183 28.722 -3.967 -99.200 -91.000 HIS 230 0.900 31.349 9.415 -8.652 -99.200 -91.000 TYR 234 0.840 35.708 20.145 0.147 -99.200 -91.000 TYR 248 0.840 32.205 37.258 18.756 -99.200 -91.000 TYR 266 0.840 9.792 32.622 13.533 -99.200 -91.000 HIS 268 0.900 7.625 25.888 17.370 -99.200 -91.000 PHE 272 1.000 20.198 26.665 20.414 -99.200 -91.000 PHE 300 1.000 10.066 28.416 12.555 -99.200 -91.000