============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 15 1.000 11.269 12.051 23.282 -99.200 -91.000 PHE 19 1.000 1.763 6.997 16.303 -99.200 -91.000 HIS 25 0.900 7.764 -4.547 15.130 -99.200 -91.000 TRP 80 1.040 17.612 -4.275 2.001 -99.200 -91.000 TRP6 80 1.020 18.837 -2.291 1.661 -99.200 -91.000 HIS 120 0.900 18.024 6.596 28.600 -99.200 -91.000 HIS 123 0.900 31.690 -2.960 26.248 -99.200 -91.000 PHE 133 1.000 27.670 1.742 34.360 -99.200 -91.000 PHE 148 1.000 32.899 12.359 12.016 -99.200 -91.000 TYR 149 0.840 34.061 19.201 14.400 -99.200 -91.000 TYR 151 0.840 29.694 20.829 17.555 -99.200 -91.000 HIS 152 0.900 21.032 18.099 19.654 -99.200 -91.000 TRP 164 1.040 24.749 30.343 5.437 -99.200 -91.000 TRP6 164 1.020 23.862 30.545 3.270 -99.200 -91.000 PHE 174 1.000 11.709 28.238 7.901 -99.200 -91.000 PHE 191 1.000 -0.360 18.192 6.858 -99.200 -91.000 PHE 198 1.000 -0.096 2.144 14.795 -99.200 -91.000 TYR 214 0.840 6.554 18.742 17.572 -99.200 -91.000 HIS 217 0.900 -4.425 22.937 15.795 -99.200 -91.000 PHE 231 1.000 20.179 22.320 20.559 -99.200 -91.000 TRP 274 1.040 19.718 8.546 -6.687 -99.200 -91.000 TRP6 274 1.020 21.259 8.344 -4.909 -99.200 -91.000 TRP 301 1.040 13.837 18.587 -14.341 -99.200 -91.000 TRP6 301 1.020 12.539 17.811 -12.532 -99.200 -91.000 PHE 315 1.000 18.437 21.814 14.490 -99.200 -91.000 TRP 328 1.040 14.379 26.598 -2.739 -99.200 -91.000 TRP6 328 1.020 15.130 24.378 -3.057 -99.200 -91.000 PHE 359 1.000 -0.747 10.960 -1.123 -99.200 -91.000