============================================================================= 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 27 1.000 47.367 -1.220 45.276 -99.200 -91.000 PHE 29 1.000 42.276 -0.435 50.196 -99.200 -91.000 TYR 32 0.840 50.957 1.967 48.501 -99.200 -91.000 TRP 33 1.040 47.656 9.871 52.257 -99.200 -91.000 TRP6 33 1.020 45.974 10.405 53.812 -99.200 -91.000 HIS 35 0.900 45.553 11.107 46.382 -99.200 -91.000 TRP 36 1.040 37.690 8.424 45.226 -99.200 -91.000 TRP6 36 1.020 36.621 7.196 43.531 -99.200 -91.000 TRP 47 1.040 43.386 14.911 45.435 -99.200 -91.000 TRP6 47 1.020 43.225 15.518 47.710 -99.200 -91.000 TYR 60 0.840 36.073 14.010 52.459 -99.200 -91.000 PHE 64 1.000 35.142 18.631 44.120 -99.200 -91.000 TYR 80 0.840 32.820 0.751 47.541 -99.200 -91.000 TYR 93 0.840 33.171 12.586 39.308 -99.200 -91.000 TYR 94 0.840 40.587 9.649 35.080 -99.200 -91.000 TYR 102 0.840 51.399 2.024 39.419 -99.200 -91.000 TRP 103 1.040 46.050 9.066 38.655 -99.200 -91.000 TRP6 103 1.020 44.835 10.932 37.895 -99.200 -91.000 TYR 122 0.840 17.107 16.899 9.831 -99.200 -91.000 TYR 145 0.840 22.904 11.951 19.400 -99.200 -91.000 PHE 146 1.000 20.187 12.126 27.636 -99.200 -91.000 TRP 154 1.040 29.525 8.778 5.861 -99.200 -91.000 TRP6 154 1.020 27.933 10.191 4.829 -99.200 -91.000 HIS 164 0.900 37.901 14.439 8.247 -99.200 -91.000 PHE 166 1.000 33.564 17.256 11.849 -99.200 -91.000 TYR 175 0.840 24.790 14.472 24.626 -99.200 -91.000 TRP 188 1.040 26.876 11.398 -4.281 -99.200 -91.000 TRP6 188 1.020 26.200 13.634 -4.607 -99.200 -91.000 HIS 199 0.900 19.795 7.203 20.427 -99.200 -91.000