============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 29 0.840 54.444 -15.568 31.858 -99.200 -91.000 PHE 36 1.000 47.960 -24.341 33.612 -99.200 -91.000 TYR 57 0.840 41.438 -6.632 41.290 -99.200 -91.000 PHE 60 1.000 37.149 -15.028 33.299 -99.200 -91.000 PHE 66 1.000 38.296 -24.156 44.141 -99.200 -91.000 HIS 71 0.900 44.262 -5.791 37.531 -99.200 -91.000 TYR 77 0.840 40.536 -12.827 29.581 -99.200 -91.000 HIS 89 0.900 54.107 -10.530 23.037 -99.200 -91.000 HIS 91 0.900 51.483 -14.396 27.912 -99.200 -91.000 PHE 95 1.000 34.972 -21.751 26.611 -99.200 -91.000 TYR 102 0.840 45.431 -12.316 29.916 -99.200 -91.000 PHE 108 1.000 53.879 -4.769 33.575 -99.200 -91.000 TRP 111 1.040 43.811 -15.713 34.227 -99.200 -91.000 TRP6 111 1.020 43.205 -17.766 33.220 -99.200 -91.000 TYR 122 0.840 41.810 -10.899 45.364 -99.200 -91.000 PHE 123 1.000 37.702 -8.162 44.478 -99.200 -91.000 TYR 134 0.840 25.008 9.610 40.552 -99.200 -91.000 PHE 137 1.000 32.782 8.114 44.970 -99.200 -91.000 PHE 142 1.000 35.513 11.524 46.763 -99.200 -91.000 TYR 156 0.840 43.664 9.243 49.206 -99.200 -91.000 TYR 170 0.840 38.096 6.192 31.392 -99.200 -91.000 TRP 176 1.040 39.707 19.896 31.270 -99.200 -91.000 TRP6 176 1.020 37.574 19.705 30.253 -99.200 -91.000 HIS 181 0.900 47.758 21.500 38.868 -99.200 -91.000 HIS 195 0.900 27.521 17.567 44.930 -99.200 -91.000 HIS 198 0.900 29.751 11.396 44.767 -99.200 -91.000 TYR 227 0.840 45.529 9.291 28.406 -99.200 -91.000 HIS 252 0.900 48.076 13.346 29.216 -99.200 -91.000 PHE 253 1.000 48.370 20.606 34.284 -99.200 -91.000