============================================================================= 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 37.112-114.388 -38.359 -99.200 -91.000 TYR 9 0.840 50.483-104.717 -34.787 -99.200 -91.000 TYR 14 0.840 48.222-109.416 -34.814 -99.200 -91.000 PHE 23 1.000 37.651-109.399 -25.157 -99.200 -91.000 TRP 59 1.040 54.802 -90.317 -36.347 -99.200 -91.000 TRP6 59 1.020 54.590 -91.066 -38.608 -99.200 -91.000 TYR 114 0.840 40.939 -82.043 -43.411 -99.200 -91.000 TYR 115 0.840 42.939 -84.373 -39.203 -99.200 -91.000 PHE 134 1.000 62.819 -63.170 -32.257 -99.200 -91.000 TYR 136 0.840 61.365 -69.341 -31.426 -99.200 -91.000 TRP 151 1.040 28.840-100.482 -28.246 -99.200 -91.000 TRP6 151 1.020 26.931 -99.951 -29.549 -99.200 -91.000 TYR 153 0.840 29.078 -95.456 -37.700 -99.200 -91.000 TRP 160 1.040 36.469 -90.209 -38.521 -99.200 -91.000 TRP6 160 1.020 34.320 -89.220 -38.246 -99.200 -91.000 PHE 174 1.000 41.166 -97.317 -30.991 -99.200 -91.000 TYR 191 0.840 47.634 -96.102 -38.948 -99.200 -91.000 PHE 201 1.000 46.433 -97.612 -34.091 -99.200 -91.000 TRP 214 1.040 44.885-101.385 -14.987 -99.200 -91.000 TRP6 214 1.020 44.705-103.622 -15.823 -99.200 -91.000 HIS 218 0.900 51.849 -95.446 -17.831 -99.200 -91.000 PHE 226 1.000 34.713 -92.768 -23.229 -99.200 -91.000 PHE 261 1.000 11.387 -73.950 -37.732 -99.200 -91.000 PHE 278 1.000 13.416 -95.633 -37.368 -99.200 -91.000 PHE 279 1.000 23.369 -95.091 -42.543 -99.200 -91.000 PHE 292 1.000 10.888 -80.693 -30.182 -99.200 -91.000 HIS 294 0.900 1.906 -75.614 -36.363 -99.200 -91.000 PHE 301 1.000 7.127 -86.086 -39.509 -99.200 -91.000 PHE 324 1.000 16.417-101.490 -38.436 -99.200 -91.000 PHE 330 1.000 21.932-112.327 -29.204 -99.200 -91.000 HIS 332 0.900 22.334-100.909 -27.413 -99.200 -91.000 TYR 339 0.840 15.988 -96.352 -22.161 -99.200 -91.000 PHE 362 1.000 14.883-111.883 -39.906 -99.200 -91.000 TYR 367 0.840 18.093-109.532 -37.147 -99.200 -91.000 PHE 373 1.000 7.008 -95.876 -28.030 -99.200 -91.000 PHE 388 1.000 24.392 -95.423 -29.713 -99.200 -91.000 TYR 397 0.840 6.611 -76.908 -33.897 -99.200 -91.000 TYR 412 0.840 22.211 -86.666 -23.192 -99.200 -91.000 HIS 427 0.900 21.548 -69.162 -43.048 -99.200 -91.000 HIS 431 0.900 22.923 -68.012 -37.148 -99.200 -91.000 TRP 439 1.040 24.034 -82.341 -40.369 -99.200 -91.000 TRP6 439 1.020 24.209 -83.900 -38.565 -99.200 -91.000 TRP 443 1.040 20.419 -86.173 -38.452 -99.200 -91.000 TRP6 443 1.020 19.541 -84.500 -36.995 -99.200 -91.000 TYR 455 0.840 27.268 -75.557 -28.567 -99.200 -91.000 HIS 471 0.900 42.398 -77.679 -29.693 -99.200 -91.000 TYR 472 0.840 44.797 -85.987 -30.956 -99.200 -91.000 TYR 485 0.840 66.546 -59.853 -16.328 -99.200 -91.000 PHE 489 1.000 65.012 -58.251 -5.880 -99.200 -91.000