============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 10 0.900 -0.500 51.258 -22.695 -99.200 -91.000 TYR 16 0.840 -17.555 52.323 -16.849 -99.200 -91.000 TRP 21 1.040 -13.680 53.929 -19.056 -99.200 -91.000 TRP6 21 1.020 -12.841 53.822 -16.862 -99.200 -91.000 TYR 36 0.840 11.286 56.146 -2.270 -99.200 -91.000 PHE 42 1.000 -2.884 58.264 -14.270 -99.200 -91.000 PHE 63 1.000 -32.429 47.076 -7.858 -99.200 -91.000 TRP 68 1.040 -25.647 42.521 -11.620 -99.200 -91.000 TRP6 68 1.020 -24.502 40.830 -12.780 -99.200 -91.000 HIS 90 0.900 -4.619 42.179 -16.295 -99.200 -91.000 TYR 110 0.840 4.205 40.810 -5.655 -99.200 -91.000 HIS 117 0.900 -8.356 34.669 -7.472 -99.200 -91.000 PHE 120 1.000 -13.770 41.416 -6.764 -99.200 -91.000 TYR 122 0.840 -17.121 33.808 1.497 -99.200 -91.000 PHE 123 1.000 -18.541 38.470 -0.208 -99.200 -91.000 TRP 160 1.040 -5.964 57.706 3.678 -99.200 -91.000 TRP6 160 1.020 -4.332 56.737 5.098 -99.200 -91.000 TYR 162 0.840 -4.125 47.552 4.064 -99.200 -91.000 TRP 169 1.040 -12.485 43.363 2.344 -99.200 -91.000 TRP6 169 1.020 -12.064 43.916 4.601 -99.200 -91.000 PHE 197 1.000 -15.648 50.908 -10.872 -99.200 -91.000 PHE 205 1.000 -20.097 42.973 -14.130 -99.200 -91.000 HIS 227 0.900 -30.135 61.017 -5.606 -99.200 -91.000 PHE 235 1.000 -16.532 56.610 5.642 -99.200 -91.000 HIS 244 0.900 -21.078 65.509 7.045 -99.200 -91.000 PHE 269 1.000 -3.134 37.346 30.155 -99.200 -91.000 PHE 274 1.000 10.002 38.453 25.849 -99.200 -91.000 TYR 286 0.840 6.294 49.577 15.155 -99.200 -91.000 PHE 287 1.000 3.120 42.893 9.240 -99.200 -91.000 HIS 288 0.900 0.012 50.892 4.326 -99.200 -91.000 PHE 309 1.000 6.317 43.640 24.640 -99.200 -91.000 PHE 326 1.000 7.324 50.090 -6.935 -99.200 -91.000 HIS 340 0.900 -2.198 59.370 8.835 -99.200 -91.000 TYR 347 0.840 -3.249 62.041 18.017 -99.200 -91.000 PHE 375 1.000 10.413 56.557 3.720 -99.200 -91.000 PHE 376 1.000 6.835 60.084 13.076 -99.200 -91.000 PHE 396 1.000 -5.416 54.185 10.038 -99.200 -91.000 PHE 405 1.000 -1.949 42.197 31.552 -99.200 -91.000 TYR 420 0.840 -11.798 54.254 17.907 -99.200 -91.000 PHE 427 1.000 0.248 37.264 20.398 -99.200 -91.000 TRP 447 1.040 -6.803 38.245 14.705 -99.200 -91.000 TRP6 447 1.020 -6.413 40.567 14.678 -99.200 -91.000 PHE 451 1.000 -2.579 42.744 16.398 -99.200 -91.000 HIS 452 0.900 -1.776 43.251 11.397 -99.200 -91.000 TYR 454 0.840 -7.516 41.665 6.644 -99.200 -91.000 PHE 455 1.000 -10.271 33.839 8.027 -99.200 -91.000 TRP 460 1.040 -12.627 43.992 9.643 -99.200 -91.000 TRP6 460 1.020 -10.801 43.149 10.916 -99.200 -91.000 TYR 463 0.840 -18.662 43.535 20.113 -99.200 -91.000 TYR 480 0.840 -23.250 45.436 -0.269 -99.200 -91.000 HIS 485 0.900 -44.560 36.946 5.738 -99.200 -91.000 TRP 497 1.040 -64.450 44.796 12.223 -99.200 -91.000 TRP6 497 1.020 -63.404 43.750 14.048 -99.200 -91.000 PHE 498 1.000 -64.911 47.796 9.071 -99.200 -91.000