============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 -63.640 -14.869 10.696 -99.200 -91.000 HIS 7 0.900 -70.055 -12.973 18.459 -99.200 -91.000 TYR 8 0.840 -66.720 -19.335 14.370 -99.200 -91.000 PHE 11 1.000 -68.449 -24.457 26.416 -99.200 -91.000 PHE 42 1.000 -67.092 -10.115 20.534 -99.200 -91.000 PHE 47 1.000 -55.530 -11.816 19.812 -99.200 -91.000 TYR 59 0.840 -56.307 -19.348 25.499 -99.200 -91.000 PHE 60 1.000 -53.545 -10.937 24.842 -99.200 -91.000 TYR 64 0.840 -57.540 -10.161 32.986 -99.200 -91.000 HIS 70 0.900 -65.394 -18.254 26.781 -99.200 -91.000 TYR 77 0.840 -67.852 -25.361 15.266 -99.200 -91.000 PHE 113 1.000 -70.649 -31.500 20.891 -99.200 -91.000 PHE 122 1.000 -66.859 -31.732 44.309 -99.200 -91.000 PHE 125 1.000 -72.194 -21.871 52.535 -99.200 -91.000 HIS 134 0.900 -82.514 -13.574 53.214 -99.200 -91.000 TYR 151 0.840 -66.790 -22.435 49.517 -99.200 -91.000 TRP 157 1.040 -61.126 -23.207 44.746 -99.200 -91.000 TRP6 157 1.020 -61.937 -25.230 45.663 -99.200 -91.000 PHE 178 1.000 -72.638 -13.630 44.984 -99.200 -91.000 HIS 191 0.900 -72.883 -22.665 37.417 -99.200 -91.000 TYR 198 0.840 -85.759 -23.329 31.432 -99.200 -91.000 HIS 203 0.900 -77.712 -36.140 31.174 -99.200 -91.000 HIS 204 0.900 -81.233 -24.165 34.200 -99.200 -91.000 HIS 207 0.900 -70.187 -19.032 36.865 -99.200 -91.000 PHE 208 1.000 -76.860 -15.763 39.720 -99.200 -91.000 TYR 212 0.840 -63.267 -9.923 45.946 -99.200 -91.000 TYR 230 0.840 -73.291 -31.344 43.758 -99.200 -91.000 TYR 231 0.840 -75.885 -36.489 37.169 -99.200 -91.000 TYR 234 0.840 -71.544 -34.226 46.776 -99.200 -91.000 PHE 239 1.000 -68.934 -43.086 37.169 -99.200 -91.000 HIS 241 0.900 -63.605 -46.810 31.338 -99.200 -91.000 HIS 253 0.900 -83.761 -12.948 27.781 -99.200 -91.000 TYR 261 0.840 -67.244 -36.377 27.037 -99.200 -91.000 TYR 281 0.840 -69.921 -16.302 10.686 -99.200 -91.000 PHE 285 1.000 -65.907 -7.921 15.159 -99.200 -91.000