============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 20 1.040 26.620 4.000 -85.353 -99.200 -91.000 TRP6 20 1.020 25.795 2.799 -83.488 -99.200 -91.000 TRP 65 1.040 37.180 -10.825 -84.665 -99.200 -91.000 TRP6 65 1.020 38.208 -8.991 -83.605 -99.200 -91.000 TRP 80 1.040 33.604 -2.470 -76.284 -99.200 -91.000 TRP6 80 1.020 32.612 -4.580 -76.498 -99.200 -91.000 PHE 81 1.000 38.180 -3.287 -68.258 -99.200 -91.000 TYR 112 0.840 28.048 -9.134 -63.681 -99.200 -91.000 PHE 116 1.000 30.778 -11.399 -67.385 -99.200 -91.000 TRP 119 1.040 37.420 -14.444 -67.779 -99.200 -91.000 TRP6 119 1.020 38.921 -15.061 -66.057 -99.200 -91.000 PHE 120 1.000 35.077 -14.787 -71.464 -99.200 -91.000 TYR 128 0.840 46.944 -21.930 -72.460 -99.200 -91.000 TRP 157 1.040 12.933 -7.329 -69.520 -99.200 -91.000 TRP6 157 1.020 12.808 -6.984 -67.201 -99.200 -91.000 PHE 159 1.000 21.093 -8.027 -63.893 -99.200 -91.000 PHE 232 1.000 16.406 -16.617 -75.033 -99.200 -91.000 PHE 263 1.000 18.962 -16.364 -48.834 -99.200 -91.000 PHE 266 1.000 19.907 -26.099 -43.743 -99.200 -91.000 TYR 283 0.840 13.044 -7.363 -50.814 -99.200 -91.000 TYR 297 0.840 11.879 -23.633 -49.531 -99.200 -91.000 TYR 303 0.840 8.636 -18.678 -40.814 -99.200 -91.000 PHE 306 1.000 15.349 -14.729 -42.951 -99.200 -91.000 HIS 344 0.900 3.985 -15.383 -58.400 -99.200 -91.000 PHE 366 1.000 8.296 4.459 -59.142 -99.200 -91.000 PHE 367 1.000 3.401 -4.711 -55.873 -99.200 -91.000 PHE 387 1.000 12.457 -12.039 -63.828 -99.200 -91.000 PHE 394 1.000 7.839 -21.356 -50.138 -99.200 -91.000 PHE 396 1.000 14.471 -25.560 -43.519 -99.200 -91.000 PHE 411 1.000 12.039 -22.971 -64.299 -99.200 -91.000 TYR 416 0.840 21.227 -17.276 -54.177 -99.200 -91.000 PHE 417 1.000 24.406 -24.488 -48.439 -99.200 -91.000 TYR 418 0.840 23.480 -16.687 -45.704 -99.200 -91.000 PHE 422 1.000 34.038 -29.499 -43.599 -99.200 -91.000 TYR 434 0.840 18.507 -25.153 -57.600 -99.200 -91.000 HIS 439 0.900 28.271 -22.589 -46.825 -99.200 -91.000 PHE 451 1.000 28.521 -16.512 -62.334 -99.200 -91.000 TYR 466 0.840 35.556 -24.923 -66.832 -99.200 -91.000 TYR 471 0.840 30.304 -17.452 -77.643 -99.200 -91.000 TYR 476 0.840 42.384 -37.197 -83.504 -99.200 -91.000 TYR 481 0.840 57.077 -39.331 -86.392 -99.200 -91.000