============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 10 0.900 7.352 26.583 30.563 -99.200 -91.000 PHE 11 1.000 4.041 22.657 23.325 -99.200 -91.000 TYR 22 0.840 17.174 33.120 18.971 -99.200 -91.000 TRP 30 1.040 15.956 22.461 22.004 -99.200 -91.000 TRP6 30 1.020 14.799 20.512 21.316 -99.200 -91.000 PHE 34 1.000 19.440 25.623 29.933 -99.200 -91.000 PHE 48 1.000 14.310 19.991 15.180 -99.200 -91.000 PHE 51 1.000 14.568 29.145 16.911 -99.200 -91.000 PHE 58 1.000 18.696 16.908 20.768 -99.200 -91.000 TYR 76 0.840 24.836 12.268 25.012 -99.200 -91.000 TYR 87 0.840 10.878 16.291 15.869 -99.200 -91.000 TYR 91 0.840 25.463 21.763 11.336 -99.200 -91.000 PHE 94 1.000 28.603 10.768 21.345 -99.200 -91.000 TYR 96 0.840 35.778 10.820 20.937 -99.200 -91.000 PHE 97 1.000 38.202 13.009 24.635 -99.200 -91.000 HIS 99 0.900 27.320 10.879 27.920 -99.200 -91.000 PHE 103 1.000 32.361 8.471 17.942 -99.200 -91.000 PHE 108 1.000 23.750 9.962 13.576 -99.200 -91.000 TYR 115 0.840 37.862 17.590 27.067 -99.200 -91.000 HIS 116 0.900 31.612 21.632 26.399 -99.200 -91.000 PHE 118 1.000 32.411 23.975 32.376 -99.200 -91.000 PHE 128 1.000 42.809 21.282 19.911 -99.200 -91.000 TYR 154 0.840 48.341 22.545 22.761 -99.200 -91.000 PHE 158 1.000 46.065 18.843 16.625 -99.200 -91.000 PHE 167 1.000 40.136 22.291 14.252 -99.200 -91.000 PHE 180 1.000 36.541 39.145 22.579 -99.200 -91.000 TRP 189 1.040 30.762 26.218 13.029 -99.200 -91.000 TRP6 189 1.020 28.925 24.789 13.417 -99.200 -91.000 TYR 191 0.840 28.949 26.618 19.993 -99.200 -91.000