============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 6 1.000 21.389 27.864 70.403 -99.200 -91.000 PHE 8 1.000 27.563 27.054 67.249 -99.200 -91.000 PHE 17 1.000 21.953 35.228 51.371 -99.200 -91.000 TYR 23 0.840 14.730 34.535 62.726 -99.200 -91.000 HIS 29 0.900 12.556 32.541 69.679 -99.200 -91.000 TYR 33 0.840 26.725 32.024 70.730 -99.200 -91.000 TYR 44 0.840 30.178 29.298 71.630 -99.200 -91.000 TYR 50 0.840 25.860 17.341 77.758 -99.200 -91.000 PHE 63 1.000 23.993 28.257 58.234 -99.200 -91.000 PHE 76 1.000 29.255 20.294 59.360 -99.200 -91.000 PHE 83 1.000 26.649 16.837 67.271 -99.200 -91.000 PHE 84 1.000 28.510 12.207 75.043 -99.200 -91.000 PHE 87 1.000 23.748 12.323 76.339 -99.200 -91.000 PHE 167 1.000 33.485 16.676 48.520 -99.200 -91.000 HIS 190 0.900 29.793 15.329 25.539 -99.200 -91.000 PHE 191 1.000 27.031 17.625 30.555 -99.200 -91.000 PHE 193 1.000 28.621 23.055 35.940 -99.200 -91.000 TRP 208 1.040 28.970 30.199 25.042 -99.200 -91.000 TRP6 208 1.020 26.704 29.739 24.576 -99.200 -91.000 TYR 220 0.840 27.880 27.715 40.026 -99.200 -91.000 TYR 240 0.840 20.929 31.689 24.791 -99.200 -91.000 PHE 246 1.000 19.908 25.087 33.489 -99.200 -91.000 HIS 259 0.900 20.742 29.045 53.348 -99.200 -91.000 PHE 267 1.000 15.009 23.955 63.534 -99.200 -91.000 PHE 274 1.000 20.402 18.099 55.950 -99.200 -91.000 TYR 280 0.840 24.108 16.754 43.415 -99.200 -91.000