============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 9 1.000 -10.768 12.645 -42.456 -99.200 -91.000 PHE 38 1.000 -8.476 7.682 -29.490 -99.200 -91.000 PHE 40 1.000 -5.589 11.839 -34.140 -99.200 -91.000 TYR 49 0.840 -4.799 11.255 -28.197 -99.200 -91.000 PHE 65 1.000 4.817 3.236 -20.362 -99.200 -91.000 PHE 75 1.000 3.542 22.600 -32.901 -99.200 -91.000 PHE 79 1.000 4.275 30.118 -25.522 -99.200 -91.000 PHE 85 1.000 2.987 22.394 -18.069 -99.200 -91.000 TRP 88 1.040 12.759 16.950 -24.213 -99.200 -91.000 TRP6 88 1.020 11.199 15.327 -25.061 -99.200 -91.000 HIS 90 0.900 16.160 14.039 -22.276 -99.200 -91.000 TRP 94 1.040 12.054 18.707 -14.507 -99.200 -91.000 TRP6 94 1.020 12.542 16.852 -13.111 -99.200 -91.000 HIS 98 0.900 10.708 18.823 -9.088 -99.200 -91.000 PHE 105 1.000 5.370 26.391 -6.070 -99.200 -91.000 TYR 113 0.840 3.933 31.564 -2.123 -99.200 -91.000 HIS 114 0.900 -4.388 33.020 3.767 -99.200 -91.000 TRP 128 1.040 -17.333 39.972 -9.049 -99.200 -91.000 TRP6 128 1.020 -17.354 37.666 -8.633 -99.200 -91.000 HIS 136 0.900 -23.509 40.873 -17.707 -99.200 -91.000 PHE 156 1.000 7.068 35.432 -11.045 -99.200 -91.000 TYR 158 0.840 4.699 43.492 -13.022 -99.200 -91.000 PHE 160 1.000 1.013 40.213 -14.384 -99.200 -91.000 PHE 163 1.000 -9.831 41.765 -9.916 -99.200 -91.000 TYR 164 0.840 -6.677 49.360 -9.638 -99.200 -91.000 HIS 169 0.900 -1.377 42.940 -18.090 -99.200 -91.000 PHE 171 1.000 2.083 37.063 -19.617 -99.200 -91.000 TYR 196 0.840 -0.669 27.189 -42.434 -99.200 -91.000 PHE 203 1.000 3.971 31.108 -31.389 -99.200 -91.000 HIS 234 0.900 13.054 30.391 -2.829 -99.200 -91.000 TYR 254 0.840 13.439 29.978 -22.797 -99.200 -91.000 PHE 259 1.000 7.210 27.946 -11.798 -99.200 -91.000 HIS 264 0.900 -2.856 33.294 -15.950 -99.200 -91.000 PHE 273 1.000 -14.573 24.005 -17.146 -99.200 -91.000 TYR 276 0.840 -21.643 24.834 -16.217 -99.200 -91.000 PHE 277 1.000 -19.382 21.084 -13.526 -99.200 -91.000 HIS 283 0.900 -31.341 20.614 -3.935 -99.200 -91.000 TYR 303 0.840 -1.999 27.998 5.290 -99.200 -91.000 TYR 311 0.840 -20.057 20.189 -0.183 -99.200 -91.000 TRP 323 1.040 -16.114 19.789 -18.148 -99.200 -91.000 TRP6 323 1.020 -15.556 18.815 -20.239 -99.200 -91.000 PHE 329 1.000 -0.710 12.713 -17.189 -99.200 -91.000 TYR 332 0.840 10.509 9.268 -23.149 -99.200 -91.000 TYR 343 0.840 -4.247 -2.697 -26.271 -99.200 -91.000 HIS 359 0.900 -9.947 13.161 -13.810 -99.200 -91.000 TRP 365 1.040 -14.196 8.342 -11.273 -99.200 -91.000 TRP6 365 1.020 -13.429 9.534 -9.352 -99.200 -91.000 PHE 372 1.000 -19.826 19.930 -9.012 -99.200 -91.000 PHE 377 1.000 -12.983 13.941 -5.857 -99.200 -91.000 HIS 386 0.900 -0.725 6.003 -10.530 -99.200 -91.000 PHE 388 1.000 -9.153 14.124 -8.776 -99.200 -91.000 PHE 391 1.000 -3.889 19.680 -9.241 -99.200 -91.000 PHE 403 1.000 0.266 30.287 -5.835 -99.200 -91.000 HIS 406 0.900 -4.369 28.516 1.164 -99.200 -91.000 HIS 418 0.900