============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 10.059 -19.585 18.528 -99.200 -91.000 PHE 23 1.000 19.746 -10.083 26.275 -99.200 -91.000 PHE 29 1.000 15.115 -9.798 27.276 -99.200 -91.000 TYR 30 0.840 17.232 -3.399 31.191 -99.200 -91.000 TYR 67 0.840 -1.148 14.891 28.097 -99.200 -91.000 PHE 84 1.000 19.849 7.333 23.619 -99.200 -91.000 PHE 101 1.000 10.563 9.535 32.115 -99.200 -91.000 PHE 122 1.000 22.274 4.159 19.853 -99.200 -91.000 TYR 124 0.840 28.683 -1.849 13.953 -99.200 -91.000 TRP 129 1.040 20.445 5.606 11.273 -99.200 -91.000 TRP6 129 1.020 20.315 7.258 9.584 -99.200 -91.000 TYR 142 0.840 -1.647 6.444 20.250 -99.200 -91.000 PHE 150 1.000 -0.896 9.724 10.676 -99.200 -91.000 TYR 154 0.840 11.220 12.228 13.736 -99.200 -91.000 PHE 156 1.000 19.397 12.348 20.044 -99.200 -91.000 PHE 169 1.000 8.665 5.061 5.031 -99.200 -91.000 PHE 171 1.000 2.205 1.285 13.143 -99.200 -91.000 HIS 179 0.900 26.405 -0.969 10.966 -99.200 -91.000 TYR 186 0.840 25.938 -1.338 2.342 -99.200 -91.000 TRP 199 1.040 9.096 1.105 1.915 -99.200 -91.000 TRP6 199 1.020 8.888 1.990 -0.271 -99.200 -91.000 TYR 201 0.840 14.925 5.584 3.151 -99.200 -91.000 TRP 215 1.040 16.960 -4.678 0.986 -99.200 -91.000 TRP6 215 1.020 16.652 -6.314 2.666 -99.200 -91.000 HIS 217 0.900 8.229 -7.027 -2.698 -99.200 -91.000 HIS 222 0.900 -0.053 -11.724 7.678 -99.200 -91.000 PHE 231 1.000 20.817 -6.207 8.843 -99.200 -91.000 TRP 242 1.040 1.391 -8.157 15.477 -99.200 -91.000 TRP6 242 1.020 -0.891 -7.983 14.864 -99.200 -91.000 HIS 246 0.900 5.376 -18.978 9.225 -99.200 -91.000 PHE 250 1.000 12.797 -10.325 3.902 -99.200 -91.000 PHE 265 1.000 5.437 -16.563 19.438 -99.200 -91.000 HIS 272 0.900 18.591 -6.811 21.154 -99.200 -91.000 PHE 273 1.000 20.493 -12.806 16.639 -99.200 -91.000 PHE 281 1.000 16.495 -14.011 25.546 -99.200 -91.000 HIS 285 0.900 2.123 -6.832 20.175 -99.200 -91.000 TRP 291 1.040 6.984 -17.213 23.572 -99.200 -91.000 TRP6 291 1.020 6.244 -19.408 24.034 -99.200 -91.000 PHE 293 1.000 14.341 -18.196 17.157 -99.200 -91.000 TRP 295 1.040 19.889 -16.998 13.016 -99.200 -91.000 TRP6 295 1.020 18.439 -18.013 11.438 -99.200 -91.000 TYR 303 0.840 27.042 3.152 19.433 -99.200 -91.000 PHE 309 1.000 37.733 6.565 24.897 -99.200 -91.000 PHE 312 1.000 43.789 -4.261 14.812 -99.200 -91.000