============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 18 1.000 17.546 -1.902 29.136 -99.200 -91.000 PHE 32 1.000 -4.138 4.089 30.197 -99.200 -91.000 HIS 41 0.900 -0.671 14.334 23.575 -99.200 -91.000 HIS 49 0.900 -10.203 8.021 36.013 -99.200 -91.000 TYR 54 0.840 -6.216 2.369 42.217 -99.200 -91.000 TRP 63 1.040 10.521 -8.524 37.929 -99.200 -91.000 TRP6 63 1.020 11.971 -6.757 37.373 -99.200 -91.000 PHE 67 1.000 15.435 -11.923 36.067 -99.200 -91.000 PHE 74 1.000 25.984 -6.683 37.224 -99.200 -91.000 TYR 85 0.840 15.678 -4.806 46.366 -99.200 -91.000 TYR 94 0.840 17.487 -16.687 35.407 -99.200 -91.000 HIS 98 0.900 18.051 -20.323 33.969 -99.200 -91.000 PHE 130 1.000 27.379 -10.772 38.424 -99.200 -91.000 TYR 140 0.840 28.854 5.763 38.281 -99.200 -91.000 PHE 146 1.000 19.626 17.970 42.850 -99.200 -91.000 HIS 153 0.900 -4.875 14.294 41.913 -99.200 -91.000 HIS 183 0.900 16.308 7.630 55.194 -99.200 -91.000 TYR 211 0.840 27.184 18.505 36.830 -99.200 -91.000 HIS 220 0.900 10.826 16.084 27.299 -99.200 -91.000 TYR 237 0.840 27.599 23.350 37.029 -99.200 -91.000 TYR 245 0.840 16.339 10.257 28.929 -99.200 -91.000 TYR 253 0.840 -0.201 7.580 37.729 -99.200 -91.000 TYR 254 0.840 3.480 7.179 40.657 -99.200 -91.000