============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 27 0.840 24.916 6.771 47.907 -99.200 -91.000 PHE 29 1.000 34.401 7.833 51.292 -99.200 -91.000 TYR 63 0.840 26.102 15.198 41.948 -99.200 -91.000 HIS 92 0.900 34.980 2.374 45.135 -99.200 -91.000 PHE 111 1.000 29.586 -2.555 50.830 -99.200 -91.000 TYR 115 0.840 27.726 7.093 64.829 -99.200 -91.000 PHE 122 1.000 33.774 15.259 59.399 -99.200 -91.000 HIS 142 0.900 26.933 13.549 64.284 -99.200 -91.000 TYR 149 0.840 17.901 15.040 66.976 -99.200 -91.000 PHE 155 1.000 10.329 4.285 70.167 -99.200 -91.000 HIS 174 0.900 21.801 -3.757 58.200 -99.200 -91.000 TYR 177 0.840 29.029 -8.023 63.765 -99.200 -91.000 TYR 179 0.840 26.459 4.235 60.061 -99.200 -91.000 PHE 183 1.000 22.856 6.932 65.150 -99.200 -91.000 PHE 189 1.000 16.694 2.745 70.728 -99.200 -91.000 TYR 204 0.840 20.052 -20.230 59.917 -99.200 -91.000 TYR 209 0.840 24.380 -6.357 56.180 -99.200 -91.000 HIS 216 0.900 16.379 -20.273 62.766 -99.200 -91.000 HIS 229 0.900 11.945 5.005 46.819 -99.200 -91.000 PHE 237 1.000 7.422 -5.912 55.812 -99.200 -91.000 TRP 246 1.040 5.105 -10.290 60.412 -99.200 -91.000 TRP6 246 1.020 7.292 -9.419 60.290 -99.200 -91.000 TRP 265 1.040 16.704 4.969 59.439 -99.200 -91.000 TRP6 265 1.020 16.884 4.215 61.657 -99.200 -91.000