============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 19 1.000 48.766 21.226 -8.248 -99.200 -91.000 HIS 23 0.900 33.302 20.688 -6.526 -99.200 -91.000 HIS 25 0.900 32.289 24.713 -2.428 -99.200 -91.000 PHE 33 1.000 23.988 31.695 7.845 -99.200 -91.000 TRP 37 1.040 23.904 34.303 12.895 -99.200 -91.000 TRP6 37 1.020 22.535 32.346 13.075 -99.200 -91.000 PHE 40 1.000 27.074 29.013 11.508 -99.200 -91.000 PHE 41 1.000 29.954 31.518 8.097 -99.200 -91.000 HIS 57 0.900 49.863 24.291 4.379 -99.200 -91.000 PHE 72 1.000 20.862 33.568 -5.291 -99.200 -91.000 HIS 91 0.900 46.128 33.941 -10.933 -99.200 -91.000 TRP 99 1.040 25.185 22.540 -3.809 -99.200 -91.000 TRP6 99 1.020 24.453 23.074 -1.612 -99.200 -91.000 PHE 100 1.000 22.603 19.580 -2.396 -99.200 -91.000 PHE 117 1.000 21.411 34.235 -11.541 -99.200 -91.000 PHE 118 1.000 22.236 29.159 -14.621 -99.200 -91.000 HIS 124 0.900 26.034 43.432 -15.588 -99.200 -91.000 PHE 146 1.000 15.038 25.288 -10.578 -99.200 -91.000 HIS 168 0.900 26.474 17.478 -4.970 -99.200 -91.000 PHE 183 1.000 25.267 18.858 -18.499 -99.200 -91.000 HIS 197 0.900 30.984 16.466 -5.324 -99.200 -91.000 TYR 206 0.840 28.943 7.127 -12.704 -99.200 -91.000 TYR 215 0.840 29.896 13.766 -20.770 -99.200 -91.000 TYR 224 0.840 34.847 16.032 1.554 -99.200 -91.000 PHE 239 1.000 33.542 14.980 6.789 -99.200 -91.000 TRP 244 1.040 44.923 9.772 2.562 -99.200 -91.000 TRP6 244 1.020 46.712 9.621 1.011 -99.200 -91.000 TYR 259 0.840 39.183 6.152 -20.537 -99.200 -91.000 HIS 267 0.900 42.607 19.723 -1.867 -99.200 -91.000 TRP 269 1.040 39.548 21.913 3.485 -99.200 -91.000 TRP6 269 1.020 39.002 19.763 4.357 -99.200 -91.000 PHE 271 1.000 40.270 27.782 3.259 -99.200 -91.000 PHE 273 1.000 29.872 22.191 4.936 -99.200 -91.000 TYR 276 0.840 26.664 17.989 7.285 -99.200 -91.000 PHE 294 1.000 44.955 14.637 1.738 -99.200 -91.000 PHE 302 1.000 48.531 6.439 -2.882 -99.200 -91.000 PHE 324 1.000 35.937 21.788 -16.877 -99.200 -91.000