============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 22.678 54.969 27.356 -99.200 -91.000 PHE 33 1.000 26.716 52.965 25.143 -99.200 -91.000 TRP 35 1.040 29.265 58.438 22.616 -99.200 -91.000 TRP6 35 1.020 27.424 57.010 22.224 -99.200 -91.000 TRP 37 1.040 33.584 59.791 14.202 -99.200 -91.000 TRP6 37 1.020 31.775 59.614 12.689 -99.200 -91.000 PHE 41 1.000 41.019 52.214 4.787 -99.200 -91.000 TRP 48 1.040 39.516 53.336 17.674 -99.200 -91.000 TRP6 48 1.020 41.367 54.496 18.570 -99.200 -91.000 TYR 51 0.840 38.215 56.634 23.123 -99.200 -91.000 TYR 54 0.840 31.820 58.453 30.846 -99.200 -91.000 PHE 57 1.000 40.790 61.091 27.450 -99.200 -91.000 HIS 60 0.900 44.110 62.085 17.700 -99.200 -91.000 PHE 79 1.000 29.767 59.838 17.720 -99.200 -91.000 PHE 80 1.000 28.861 67.089 15.077 -99.200 -91.000 TYR 94 0.840 35.613 57.552 6.494 -99.200 -91.000 TYR 95 0.840 30.489 50.626 8.862 -99.200 -91.000 TRP 101 1.040 35.714 54.647 29.967 -99.200 -91.000 TRP6 101 1.020 37.074 55.508 28.238 -99.200 -91.000 TYR 102 0.840 33.836 48.311 34.622 -99.200 -91.000 TRP 108 1.040 29.924 48.632 15.151 -99.200 -91.000 TRP6 108 1.020 31.878 48.750 13.815 -99.200 -91.000 TYR 127 0.840 20.619 53.033 -21.072 -99.200 -91.000 TYR 150 0.840 26.070 54.689 -10.520 -99.200 -91.000 PHE 151 1.000 33.044 59.487 -9.138 -99.200 -91.000 TRP 159 1.040 13.438 45.492 -8.985 -99.200 -91.000 TRP6 159 1.020 13.387 45.706 -11.339 -99.200 -91.000 HIS 169 0.900 19.418 37.309 -6.626 -99.200 -91.000 PHE 171 1.000 23.305 40.425 -10.297 -99.200 -91.000 TYR 180 0.840 31.422 53.457 -9.062 -99.200 -91.000 TRP 193 1.040 6.032 42.382 -16.874 -99.200 -91.000 TRP6 193 1.020 7.070 41.919 -18.945 -99.200 -91.000 HIS 204 0.900 24.212 59.520 -8.552 -99.200 -91.000