============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 1 1.000 -6.513 -34.271 -32.894 -99.200 -91.000 TYR 10 0.840 -11.426 -13.572 -32.755 -99.200 -91.000 TRP 29 1.040 4.732 -17.596 -12.268 -99.200 -91.000 TRP6 29 1.020 4.767 -16.092 -10.435 -99.200 -91.000 TRP 35 1.040 -5.916 -7.791 -13.751 -99.200 -91.000 TRP6 35 1.020 -6.552 -6.609 -11.787 -99.200 -91.000 PHE 39 1.000 -11.938 -13.027 -19.354 -99.200 -91.000 PHE 48 1.000 -10.545 -24.188 -20.863 -99.200 -91.000 PHE 60 1.000 -14.586 -28.888 2.673 -99.200 -91.000 TYR 65 0.840 -19.320 -20.354 8.385 -99.200 -91.000 PHE 68 1.000 -22.972 -17.642 5.500 -99.200 -91.000 PHE 72 1.000 -20.956 -21.558 -3.308 -99.200 -91.000 HIS 79 0.900 -23.938 -14.223 -12.181 -99.200 -91.000 PHE 80 1.000 -17.895 -22.500 -10.961 -99.200 -91.000 HIS 84 0.900 -17.663 -24.446 -20.575 -99.200 -91.000 HIS 87 0.900 -20.325 -34.397 -9.494 -99.200 -91.000 TYR 88 0.840 -22.986 -26.474 -8.209 -99.200 -91.000 TYR 89 0.840 -17.485 -33.444 -6.489 -99.200 -91.000 PHE 91 1.000 -16.179 -32.412 0.329 -99.200 -91.000 TRP 117 1.040 -12.636 -19.762 14.316 -99.200 -91.000 TRP6 117 1.020 -11.012 -18.800 12.887 -99.200 -91.000 PHE 131 1.000 -11.424 -40.075 4.554 -99.200 -91.000 PHE 136 1.000 -12.901 -34.234 -5.429 -99.200 -91.000 TYR 142 0.840 -9.184 -27.751 -16.012 -99.200 -91.000 PHE 152 1.000 -19.846 -18.195 -7.892 -99.200 -91.000 HIS 155 0.900 -17.733 -15.512 -17.503 -99.200 -91.000 PHE 165 1.000 -8.154 -21.334 -10.021 -99.200 -91.000 HIS 169 0.900 -6.917 -11.342 1.711 -99.200 -91.000 PHE 172 1.000 -3.132 -8.656 3.335 -99.200 -91.000 TYR 173 0.840 -6.076 -4.554 -4.888 -99.200 -91.000 PHE 180 1.000 2.209 -9.665 -0.173 -99.200 -91.000 TYR 182 0.840 3.741 -14.231 2.117 -99.200 -91.000 TYR 191 0.840 10.678 -18.221 7.958 -99.200 -91.000 PHE 199 1.000 1.388 -11.751 -7.676 -99.200 -91.000 TYR 200 0.840 -1.898 -13.335 2.544 -99.200 -91.000 TYR 201 0.840 -0.718 -16.601 -4.863 -99.200 -91.000 PHE 205 1.000 -12.316 -18.623 -7.263 -99.200 -91.000 PHE 206 1.000 -7.400 -24.291 -2.687 -99.200 -91.000 HIS 221 0.900 -3.771 -33.970 6.105 -99.200 -91.000 TRP 236 1.040 -3.917 -14.469 8.917 -99.200 -91.000 TRP6 236 1.020 -6.057 -14.092 9.854 -99.200 -91.000 HIS 237 0.900 -5.962 -20.365 11.585 -99.200 -91.000 HIS 241 0.900 0.540 -24.855 6.768 -99.200 -91.000 TYR 245 0.840 1.777 -26.771 -3.559 -99.200 -91.000 HIS 249 0.900 5.353 -26.731 -4.880 -99.200 -91.000 TYR 259 0.840 -12.073 -14.068 -11.839 -99.200 -91.000 TRP 261 1.040 -14.248 -5.924 -3.859 -99.200 -91.000 TRP6 261 1.020 -11.954 -5.343 -3.890 -99.200 -91.000 TRP 268 1.040 -17.012 -1.691 -8.428 -99.200 -91.000 TRP6 268 1.020 -19.205 -2.366 -9.032 -99.200 -91.000 PHE 277 1.000 -17.015 -16.939 -4.921 -99.200 -91.000