============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. TRP 13 1.040 -51.708 25.527 42.452 -99.200 -91.000 TRP6 13 1.020 -50.349 27.295 43.285 -99.200 -91.000 PHE 17 1.000 -55.216 20.500 38.409 -99.200 -91.000 TYR 23 0.840 -44.456 19.453 34.879 -99.200 -91.000 TYR 36 0.840 -47.935 40.927 32.574 -99.200 -91.000 PHE 38 1.000 -43.693 42.298 27.600 -99.200 -91.000 TRP 46 1.040 -30.870 53.384 29.525 -99.200 -91.000 TRP6 46 1.020 -29.774 51.481 30.422 -99.200 -91.000 TRP 73 1.040 -49.993 24.121 36.828 -99.200 -91.000 TRP6 73 1.020 -50.108 22.494 38.542 -99.200 -91.000 HIS 93 0.900 -38.532 31.130 22.714 -99.200 -91.000 TRP 94 1.040 -43.810 34.351 24.614 -99.200 -91.000 TRP6 94 1.020 -43.948 36.464 25.687 -99.200 -91.000 HIS 95 0.900 -34.816 29.750 27.332 -99.200 -91.000 HIS 104 0.900 -50.244 32.873 20.061 -99.200 -91.000 TYR 124 0.840 -45.612 37.201 20.693 -99.200 -91.000 TRP 126 1.040 -47.219 32.796 26.599 -99.200 -91.000 TRP6 126 1.020 -46.764 32.399 28.884 -99.200 -91.000 TYR 131 0.840 -45.624 23.351 39.071 -99.200 -91.000 TRP 135 1.040 -34.718 32.959 29.887 -99.200 -91.000 TRP6 135 1.020 -33.214 34.263 28.603 -99.200 -91.000 TYR 136 0.840 -40.379 38.985 29.034 -99.200 -91.000 HIS 137 0.900 -34.664 34.811 24.350 -99.200 -91.000 HIS 139 0.900 -34.723 33.049 19.079 -99.200 -91.000 PHE 140 1.000 -35.024 41.817 13.724 -99.200 -91.000 TYR 144 0.840 -30.776 37.209 24.544 -99.200 -91.000 TYR 162 0.840 -41.266 28.261 48.909 -99.200 -91.000 PHE 169 1.000 -30.332 37.673 43.251 -99.200 -91.000 TYR 174 0.840 -24.571 46.886 31.395 -99.200 -91.000 TYR 175 0.840 -21.107 41.281 26.567 -99.200 -91.000 TYR 176 0.840 -19.632 49.305 29.984 -99.200 -91.000 HIS 184 0.900 -18.896 44.020 11.471 -99.200 -91.000 PHE 185 1.000 -14.540 41.987 18.595 -99.200 -91.000 PHE 193 1.000 -12.584 37.361 30.143 -99.200 -91.000 TYR 213 0.840 -21.078 45.614 45.779 -99.200 -91.000 HIS 224 0.900 -35.208 33.839 53.625 -99.200 -91.000 HIS 236 0.900 -22.173 29.378 29.033 -99.200 -91.000 PHE 237 1.000 -23.332 35.005 34.643 -99.200 -91.000 HIS 244 0.900 -25.830 32.020 54.424 -99.200 -91.000 PHE 265 1.000 -21.969 26.090 33.935 -99.200 -91.000 TYR 272 0.840 -29.716 24.708 38.500 -99.200 -91.000 TYR 285 0.840 -23.397 35.721 56.140 -99.200 -91.000 TRP 286 1.040 -18.539 39.952 49.694 -99.200 -91.000 TRP6 286 1.020 -19.281 42.013 48.819 -99.200 -91.000 PHE 287 1.000 -25.951 34.848 44.320 -99.200 -91.000 PHE 291 1.000 -17.498 34.753 34.509 -99.200 -91.000 HIS 304 0.900 -12.668 39.404 42.837 -99.200 -91.000 PHE 309 1.000 -28.590 36.616 48.725 -99.200 -91.000 HIS 310 0.900 -28.993 43.821 56.214 -99.200 -91.000 TYR 311 0.840 -28.688 35.967 58.015 -99.200 -91.000 HIS 329 0.900 -20.027 24.186 39.669 -99.200 -91.000 PHE 350 1.000 -28.215 6.832 20.169 -99.200 -91.000 PHE 370 1.000 -13.633 32.952 14.672 -99.200 -91.000 TRP 372 1.040 -20.144 28.941 15.836 -99.200 -91.000 TRP6 372 1.020