============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 16 0.840 15.037 3.958 20.248 -99.200 -91.000 PHE 19 1.000 6.953 -7.241 27.684 -99.200 -91.000 TYR 27 0.840 -2.832 -7.985 34.584 -99.200 -91.000 PHE 32 1.000 4.137 -3.190 25.965 -99.200 -91.000 TYR 35 0.840 12.834 8.903 22.159 -99.200 -91.000 PHE 49 1.000 -2.951 9.003 19.406 -99.200 -91.000 TYR 51 0.840 -1.457 5.069 23.919 -99.200 -91.000 TYR 61 0.840 13.204 -3.218 14.116 -99.200 -91.000 TRP 71 1.040 6.847 -4.267 1.533 -99.200 -91.000 TRP6 71 1.020 8.788 -3.202 2.330 -99.200 -91.000 HIS 81 0.900 -5.665 0.524 6.287 -99.200 -91.000 TYR 94 0.840 13.062 4.729 -3.539 -99.200 -91.000 PHE 102 1.000 8.544 5.259 7.502 -99.200 -91.000 PHE 106 1.000 10.837 8.647 16.636 -99.200 -91.000 TYR 115 0.840 35.772 -6.400 16.215 -99.200 -91.000 TYR 135 0.840 31.353 -8.358 7.024 -99.200 -91.000 PHE 146 1.000 23.548 1.475 3.055 -99.200 -91.000 PHE 147 1.000 25.918 -2.954 4.907 -99.200 -91.000 TYR 155 0.840 29.076 1.100 2.373 -99.200 -91.000 TRP 159 1.040 23.321 -8.547 -0.006 -99.200 -91.000 TRP6 159 1.020 22.195 -9.059 2.006 -99.200 -91.000 PHE 161 1.000 31.546 -12.666 5.468 -99.200 -91.000 TYR 186 0.840 28.289 -10.942 14.195 -99.200 -91.000 PHE 188 1.000 24.087 -6.555 15.083 -99.200 -91.000 PHE 197 1.000 20.686 1.813 26.543 -99.200 -91.000 TYR 217 0.840 15.524 5.004 14.812 -99.200 -91.000 TYR 227 0.840 -4.941 9.305 13.606 -99.200 -91.000 HIS 245 0.900 18.986 17.390 24.646 -99.200 -91.000 TRP 251 1.040 13.201 6.816 28.173 -99.200 -91.000 TRP6 251 1.020 12.754 4.990 29.577 -99.200 -91.000 TRP 252 1.040 20.453 6.636 23.960 -99.200 -91.000 TRP6 252 1.020 18.201 6.577 23.284 -99.200 -91.000