============================================================================= 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 42.018 24.790 30.726 -99.200 -91.000 PHE 33 1.000 46.713 26.010 31.429 -99.200 -91.000 TRP 35 1.040 46.259 32.130 32.801 -99.200 -91.000 TRP6 35 1.020 46.009 30.664 30.977 -99.200 -91.000 TRP 37 1.040 52.218 38.941 30.038 -99.200 -91.000 TRP6 37 1.020 51.601 39.153 27.781 -99.200 -91.000 PHE 41 1.000 65.845 40.909 26.246 -99.200 -91.000 TRP 48 1.040 58.532 33.928 34.616 -99.200 -91.000 TRP6 48 1.020 58.716 34.794 36.811 -99.200 -91.000 TYR 51 0.840 53.132 33.215 38.908 -99.200 -91.000 TYR 54 0.840 44.473 28.209 40.118 -99.200 -91.000 PHE 57 1.000 50.411 34.381 44.738 -99.200 -91.000 HIS 60 0.900 56.956 42.134 39.882 -99.200 -91.000 PHE 79 1.000 47.929 35.912 30.016 -99.200 -91.000 PHE 80 1.000 44.073 42.703 29.655 -99.200 -91.000 TYR 94 0.840 58.210 42.460 25.331 -99.200 -91.000 TYR 95 0.840 57.729 34.204 21.978 -99.200 -91.000 TRP 101 1.040 49.567 26.924 41.246 -99.200 -91.000 TRP6 101 1.020 50.648 29.021 41.140 -99.200 -91.000 TYR 102 0.840 49.739 18.391 40.612 -99.200 -91.000 TRP 108 1.040 55.778 28.873 25.363 -99.200 -91.000 TRP6 108 1.020 57.616 30.301 25.705 -99.200 -91.000 TYR 127 0.840 61.866 49.557 -5.118 -99.200 -91.000 TYR 150 0.840 60.249 46.496 6.423 -99.200 -91.000 PHE 151 1.000 61.555 51.696 12.998 -99.200 -91.000 TRP 159 1.040 57.234 34.739 -3.154 -99.200 -91.000 TRP6 159 1.020 57.838 36.231 -4.881 -99.200 -91.000 HIS 169 0.900 65.349 29.196 0.052 -99.200 -91.000 PHE 171 1.000 67.295 34.965 1.501 -99.200 -91.000 TYR 180 0.840 63.828 46.787 10.736 -99.200 -91.000 TRP 193 1.040 57.622 34.030 -14.642 -99.200 -91.000 TRP6 193 1.020 59.464 35.256 -15.471 -99.200 -91.000 HIS 204 0.900 55.223 48.643 7.645 -99.200 -91.000