============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 12 0.900 -54.740 45.183 -33.089 -99.200 -91.000 TYR 26 0.840 -58.623 31.592 -26.786 -99.200 -91.000 PHE 49 1.000 -78.103 40.103 -20.798 -99.200 -91.000 TYR 54 0.840 -67.626 31.399 -27.748 -99.200 -91.000 PHE 56 1.000 -65.487 23.659 -25.522 -99.200 -91.000 TRP 94 1.040 -82.879 38.693 -5.453 -99.200 -91.000 TRP6 94 1.020 -84.817 38.399 -4.135 -99.200 -91.000 TRP 118 1.040 -76.558 35.165 -6.667 -99.200 -91.000 TRP6 118 1.020 -78.502 36.164 -7.568 -99.200 -91.000 PHE 122 1.000 -65.878 39.175 -2.611 -99.200 -91.000 PHE 124 1.000 -67.627 38.890 1.767 -99.200 -91.000 PHE 130 1.000 -72.461 44.694 13.562 -99.200 -91.000 TRP 132 1.040 -70.684 45.896 5.026 -99.200 -91.000 TRP6 132 1.020 -71.742 46.964 3.208 -99.200 -91.000 PHE 135 1.000 -76.271 42.598 1.049 -99.200 -91.000 TYR 155 0.840 -87.309 31.074 -17.223 -99.200 -91.000 HIS 161 0.900 -78.742 30.543 -4.997 -99.200 -91.000 HIS 170 0.900 -75.178 22.929 12.495 -99.200 -91.000 TRP 175 1.040 -71.430 28.173 7.818 -99.200 -91.000 TRP6 175 1.020 -69.441 26.972 8.248 -99.200 -91.000 TYR 187 0.840 -81.360 22.844 -0.358 -99.200 -91.000 HIS 191 0.900 -68.535 22.509 -1.650 -99.200 -91.000 HIS 195 0.900 -58.653 24.534 0.028 -99.200 -91.000 PHE 202 1.000 -60.092 39.426 -3.189 -99.200 -91.000 TYR 207 0.840 -66.765 39.951 6.548 -99.200 -91.000 TYR 208 0.840 -66.872 33.423 4.100 -99.200 -91.000 HIS 215 0.900 -63.204 18.176 -1.356 -99.200 -91.000 PHE 218 1.000 -74.585 19.616 -5.225 -99.200 -91.000 PHE 222 1.000 -81.226 19.285 -17.738 -99.200 -91.000 TYR 231 0.840 -57.218 31.277 -1.169 -99.200 -91.000 HIS 234 0.900 -55.708 31.158 -6.427 -99.200 -91.000 HIS 235 0.900 -55.669 25.596 -1.775 -99.200 -91.000 TRP 239 1.040 -59.384 23.360 -9.493 -99.200 -91.000 TRP6 239 1.020 -61.338 24.061 -10.627 -99.200 -91.000 PHE 242 1.000 -65.301 20.009 -5.642 -99.200 -91.000 PHE 251 1.000 -71.629 24.707 -13.342 -99.200 -91.000 TRP 265 1.040 -60.453 34.286 -15.116 -99.200 -91.000 TRP6 265 1.020 -61.582 33.743 -13.111 -99.200 -91.000 TYR 278 0.840 -63.097 18.329 -13.248 -99.200 -91.000 PHE 279 1.000 -67.003 19.585 -21.137 -99.200 -91.000 PHE 291 1.000 -67.422 48.012 -0.635 -99.200 -91.000 TYR 295 0.840 -61.337 49.230 1.075 -99.200 -91.000 HIS 304 0.900 -57.942 51.689 -1.334 -99.200 -91.000 PHE 307 1.000 -62.521 44.595 -3.311 -99.200 -91.000 PHE 310 1.000 -64.701 42.476 -7.524 -99.200 -91.000 TYR 311 0.840 -59.498 39.211 -13.130 -99.200 -91.000 TYR 315 0.840 -61.338 30.485 -18.716 -99.200 -91.000 PHE 350 1.000 -55.522 10.013 -27.441 -99.200 -91.000 TRP 351 1.040 -54.418 13.379 -23.633 -99.200 -91.000 TRP6 351 1.020 -55.431 15.499 -23.357 -99.200 -91.000 PHE 353 1.000 -53.742 13.577 -18.427 -99.200 -91.000 TYR 362 0.840 -49.041 11.338 -5.957 -99.200 -91.000 PHE 366 1.000 -50.860 14.986 -1.241 -99.200 -91.000 HIS 372 0.900 -48.453 17.344 15.607 -99.200 -91.000 PHE 374 1.000 -43.170 15.944 5.797 -99.200 -91.000