============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 24 1.000 50.559 56.100 21.392 -99.200 -91.000 PHE 38 1.000 60.690 58.045 14.374 -99.200 -91.000 TYR 99 0.840 50.587 41.235 11.640 -99.200 -91.000 TYR 100 0.840 44.045 48.017 17.781 -99.200 -91.000 TRP 115 1.040 26.126 28.831 17.806 -99.200 -91.000 TRP6 115 1.020 25.413 27.121 16.351 -99.200 -91.000 PHE 138 1.000 28.515 35.066 9.299 -99.200 -91.000 TRP 142 1.040 27.262 29.385 10.342 -99.200 -91.000 TRP6 142 1.020 25.999 30.616 11.903 -99.200 -91.000 TYR 154 0.840 30.901 36.874 -2.660 -99.200 -91.000 TYR 155 0.840 25.644 44.236 -1.301 -99.200 -91.000 TYR 163 0.840 16.809 40.228 -7.802 -99.200 -91.000 PHE 164 1.000 22.234 37.676 -3.061 -99.200 -91.000 TYR 176 0.840 27.498 40.475 9.190 -99.200 -91.000 TYR 189 0.840 14.623 47.403 -3.255 -99.200 -91.000 TYR 200 0.840 21.525 39.231 13.968 -99.200 -91.000 PHE 216 1.000 19.366 54.889 8.554 -99.200 -91.000 PHE 224 1.000 24.335 49.875 15.052 -99.200 -91.000 PHE 229 1.000 34.647 56.885 22.848 -99.200 -91.000 PHE 230 1.000 30.855 55.383 18.597 -99.200 -91.000 TYR 238 0.840 30.260 60.458 22.582 -99.200 -91.000 TYR 249 0.840 27.918 57.830 14.686 -99.200 -91.000 TYR 254 0.840 40.091 60.268 21.395 -99.200 -91.000 TRP 260 1.040 49.180 54.421 26.828 -99.200 -91.000 TRP6 260 1.020 51.445 54.980 26.610 -99.200 -91.000 PHE 266 1.000 54.507 43.629 20.950 -99.200 -91.000 TYR 275 0.840 46.971 39.852 28.447 -99.200 -91.000 TRP 297 1.040 26.743 42.358 18.441 -99.200 -91.000 TRP6 297 1.020 26.207 42.308 16.163 -99.200 -91.000 TYR 298 0.840 26.295 50.073 20.347 -99.200 -91.000 TYR 300 0.840 19.554 51.845 13.603 -99.200 -91.000