============================================================================= 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. PHE 1 1.000 11.106 63.670 46.203 -99.200 -91.000 TYR 18 0.840 25.524 44.835 34.466 -99.200 -91.000 PHE 20 1.000 35.375 43.621 40.673 -99.200 -91.000 HIS 50 0.900 32.884 41.057 52.360 -99.200 -91.000 TYR 54 0.840 38.912 50.126 49.891 -99.200 -91.000 TYR 66 0.840 11.830 35.817 38.773 -99.200 -91.000 HIS 70 0.900 8.846 46.838 44.968 -99.200 -91.000 PHE 100 1.000 15.456 35.841 27.857 -99.200 -91.000 PHE 112 1.000 11.049 46.200 35.051 -99.200 -91.000 PHE 116 1.000 11.971 43.243 31.059 -99.200 -91.000 TYR 128 0.840 10.049 40.071 17.533 -99.200 -91.000 TRP 131 1.040 8.387 45.306 21.658 -99.200 -91.000 TRP6 131 1.020 7.597 44.686 19.512 -99.200 -91.000 PHE 133 1.000 7.950 35.608 25.233 -99.200 -91.000 PHE 153 1.000 35.479 46.968 12.335 -99.200 -91.000 PHE 161 1.000 44.683 51.947 10.414 -99.200 -91.000 HIS 176 0.900 26.893 39.284 20.191 -99.200 -91.000 TRP 184 1.040 35.626 46.808 6.538 -99.200 -91.000 TRP6 184 1.020 37.561 47.325 7.809 -99.200 -91.000 HIS 186 0.900 29.348 55.643 7.023 -99.200 -91.000 PHE 212 1.000 33.364 40.562 9.916 -99.200 -91.000 TYR 220 0.840 36.233 28.420 17.700 -99.200 -91.000 TYR 230 0.840 34.922 35.509 32.401 -99.200 -91.000 TYR 231 0.840 37.378 39.555 33.099 -99.200 -91.000 PHE 245 1.000 19.921 53.358 35.698 -99.200 -91.000 TYR 262 0.840 19.902 50.908 9.204 -99.200 -91.000 TYR 268 0.840 14.012 44.505 19.957 -99.200 -91.000 PHE 296 1.000 20.843 46.024 9.104 -99.200 -91.000 HIS 298 0.900 22.452 36.149 4.467 -99.200 -91.000