============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 3 1.000 40.041 -51.317 4.356 -99.200 -91.000 TYR 9 0.840 29.440 -55.944 -7.487 -99.200 -91.000 TYR 14 0.840 30.150 -54.512 -2.581 -99.200 -91.000 PHE 23 1.000 36.748 -65.234 4.044 -99.200 -91.000 TRP 59 1.040 29.376 -59.287 -22.149 -99.200 -91.000 TRP6 59 1.020 30.151 -57.036 -22.280 -99.200 -91.000 TYR 114 0.840 46.344 -59.524 -26.864 -99.200 -91.000 TYR 115 0.840 42.669 -61.813 -24.304 -99.200 -91.000 PHE 134 1.000 27.095 -72.040 -47.509 -99.200 -91.000 TYR 136 0.840 26.785 -70.608 -41.225 -99.200 -91.000 TRP 151 1.040 48.002 -67.748 -1.642 -99.200 -91.000 TRP6 151 1.020 50.330 -67.240 -1.791 -99.200 -91.000 TYR 153 0.840 52.113 -61.430 -9.288 -99.200 -91.000 TRP 160 1.040 46.924 -61.366 -16.643 -99.200 -91.000 TRP6 160 1.020 48.991 -62.553 -16.728 -99.200 -91.000 PHE 174 1.000 38.449 -64.181 -9.557 -99.200 -91.000 TYR 191 0.840 35.523 -56.322 -15.377 -99.200 -91.000 PHE 201 1.000 34.551 -60.159 -12.088 -99.200 -91.000 TRP 214 1.040 28.765 -76.069 -2.126 -99.200 -91.000 TRP6 214 1.020 28.722 -74.607 -0.259 -99.200 -91.000 HIS 218 0.900 24.616 -74.424 -10.849 -99.200 -91.000 PHE 226 1.000 42.781 -74.245 -8.703 -99.200 -91.000 PHE 261 1.000 73.398 -74.194 -21.797 -99.200 -91.000 PHE 278 1.000 66.260 -64.737 -3.434 -99.200 -91.000 PHE 279 1.000 58.974 -58.356 -9.060 -99.200 -91.000 PHE 292 1.000 69.747 -78.096 -13.111 -99.200 -91.000 HIS 294 0.900 81.070 -76.240 -16.756 -99.200 -91.000 PHE 301 1.000 74.998 -68.116 -10.418 -99.200 -91.000 PHE 324 1.000 62.453 -60.878 0.198 -99.200 -91.000 PHE 330 1.000 51.733 -63.915 11.011 -99.200 -91.000 HIS 332 0.900 53.493 -69.665 1.371 -99.200 -91.000 TYR 339 0.840 58.914 -77.460 1.405 -99.200 -91.000 PHE 362 1.000 61.514 -55.421 9.563 -99.200 -91.000 TYR 367 0.840 58.466 -58.351 7.246 -99.200 -91.000 PHE 373 1.000 69.115 -74.267 2.241 -99.200 -91.000 PHE 388 1.000 53.479 -69.451 -4.626 -99.200 -91.000 TYR 397 0.840 75.726 -77.166 -16.352 -99.200 -91.000 TYR 412 0.840 55.815 -79.519 -9.714 -99.200 -91.000 HIS 427 0.900 67.032 -69.488 -31.409 -99.200 -91.000 HIS 431 0.900 64.180 -74.839 -31.034 -99.200 -91.000 TRP 439 1.040 60.637 -65.744 -19.764 -99.200 -91.000 TRP6 439 1.020 59.607 -66.660 -17.833 -99.200 -91.000 TRP 443 1.040 62.344 -66.596 -14.623 -99.200 -91.000 TRP6 443 1.020 63.147 -68.753 -15.264 -99.200 -91.000 TYR 455 0.840 55.413 -78.399 -23.063 -99.200 -91.000 HIS 471 0.900 41.809 -73.034 -27.062 -99.200 -91.000 TYR 472 0.840 37.888 -68.013 -20.873 -99.200 -91.000 TYR 485 0.840 18.652 -86.379 -46.384 -99.200 -91.000 PHE 489 1.000 16.790 -96.506 -43.557 -99.200 -91.000